RMG Output

Species (963)

Index

Thermo
H298 (kcal/mol), S298 (cal/mol*K), Cp (cal/mol*K)

Structure

Label

SMILES

MW
(g/mol)

24.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.24	61.24	31.19	45.95	67.25	77.16
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(RCCJCC)

C7H9(24)

[CH]1CC=CC=CC1

93.15

25.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.10	27.42	4.97	4.97	4.97	4.97
Thermo library: primaryThermoLibrary

H(25)

[H]

1.01

26.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.79	59.53	32.62	47.89	68.09	77.37
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(Cds_S)

C7H9(26)

[C]1=CC=CCCC1

93.15

27.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.59	58.43	33.10	48.39	68.87	78.97
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(C=CJC=C)

C7H9(27)

[C]1=CCCCC=C1

93.15

28.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.11	80.49	24.36	46.78	68.85	82.47
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC) + radical(Allyl_S)

C7H10(28)

[CH]1C=CCC[CH]C1

94.15

29.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.51	86.11	25.52	46.97	68.19	81.54
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC) + radical(Cds_S)

C7H10(29)

[C]1=CCCC[CH]C1

94.15

30.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.51	86.11	25.52	46.97	68.19	81.54
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC) + radical(Cds_S)

C7H10(30)

[C]1=CC[CH]CCC1

94.15

31.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.96	87.82	24.08	45.04	67.30	81.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC) + radical(RCCJCC)

C7H10(31)

[CH]1C[CH]CC=CC1

94.15

32.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.66	77.40	25.80	48.72	69.73	82.67
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Cds_S) + radical(Allyl_S)

C7H10(32)

[C]1=C[CH]CCCC1

94.15

33.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.26	70.40	24.64	48.53	70.39	83.61
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Allyl_S) + radical(Allyl_S)

C7H10(33)

[CH]1C=C[CH]CCC1

94.15

34.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.66	76.02	25.80	48.72	69.73	82.67
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Allyl_S) + radical(Cds_S)

C7H10(34)

[C]1[CH]CCCCC=1

94.15

35.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.96	89.20	24.08	45.04	67.30	81.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC) + radical(RCCJCC)

C7H10(35)

[CH]1[CH]CCC=CC1

94.15

36.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
133.44	101.58	33.85	48.65	69.86	79.42
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_P)

C7H10(36)

[CH]=CCCCC=[CH]

94.15

37.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.61	100.59	33.99	49.36	69.91	79.73
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P) + radical(RCCJ)

C7H10(37)

[CH]=CC=CCC[CH2]

94.15

39.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.70	99.58	27.96	50.47	71.96	85.04
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cycloheptane)

C7H10(39)

[C]1C=CCCCC1

94.15

41.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
39.66	89.37	35.22	60.46	82.32	95.11
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(C=CCJCO) + radical(ROOJ)

S(41)

[O]OC1[CH]C=CCCC1

126.15

42.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.30	99.88	33.49	57.98	79.61	92.37
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(CCJCOOH) + radical(ROOJ)

S(42)

[O]OC1[CH]CCCC=C1

126.15

43.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
0.43	54.74	8.37	9.35	11.56	12.95
Thermo group additivity estimation: group(O2s-OsH) + group(O2s-OsH) + radical(HOOJ)

HO2(43)

[O]O

33.01

44.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.25	70.31	23.96	40.89	66.17	78.01
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_5_ane) - ring(Cyclopentane) - ring(Cyclobutane) + ring(Cyclopentane) + ring(Cyclobutene) + radical(Allyl_T)

C7H9(44)

C1=CC2CCC[C]12

93.15

45.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.30	78.44	24.25	40.64	65.45	76.30
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_5_ane) - ring(Cyclopentane) - ring(Cyclobutane) + ring(Cyclopentane) + ring(Cyclobutene) + radical(Cs_S)

C7H9(45)

[CH]1CCC2C=CC12

93.15

46.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
85.25	77.52	23.98	39.75	65.00	76.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_5_ane) - ring(Cyclopentane) - ring(Cyclobutane) + ring(Cyclopentane) + ring(Cyclobutene) + radical(cyclopentane)

C7H9(46)

[CH]1CC2C=CC2C1

93.15

47.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.35	75.81	25.42	41.69	65.87	76.77
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_5_ane) - ring(Cyclopentane) - ring(Cyclobutane) + ring(Cyclopentane) + ring(Cyclobutene) + radical(cyclobutene-vinyl)

C7H9(47)

[C]1=CC2CCCC12

93.15

48.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.83	85.82	25.46	41.04	68.69	80.61
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-6) + radical(bicyclo[3.2.0]heptane-tertiary)

C7H10(48)

[CH]1C[C]2CCCC12

94.15

49.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.83	85.82	25.46	41.04	68.69	80.61
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-6) + radical(bicyclo[3.2.0]heptane-tertiary)

C7H10(49)

[CH]1CC2CCC[C]12

94.15

50.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.13	85.09	24.96	41.52	69.14	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-2) + radical(bicyclo[3.2.0]heptane-C5-6)

C7H10(50)

[CH]1CCC2[CH]CC12

94.15

51.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.13	85.09	24.96	41.52	69.14	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-6) + radical(bicyclo[3.2.0]heptane-C5-2)

C7H10(51)

[CH]1CCC2C[CH]C12

94.15

52.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.73	85.09	24.96	41.52	69.14	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-3) + radical(bicyclo[3.2.0]heptane-C5-6)

C7H10(52)

[CH]1CC2[CH]CC2C1

94.15

53.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.39	94.70	27.21	44.48	69.10	80.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cs_S) + radical(Cds_P)

C7H10(53)

[CH]=CC1[CH]CCC1

94.15

54.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.72	95.43	30.06	46.84	69.58	81.48
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ) + radical(Isobutyl)

C7H10(54)

[CH2]CC1C=CC1[CH2]

94.15

55.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.81	90.59	29.39	46.49	70.14	81.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ) + radical (cyclobutene-allyl)

C7H10(55)

[CH2]CCC1[CH]C=C1

94.15

56.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.03	96.34	27.58	45.28	72.87	85.02
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(CsJ2_singlet-CsH) + polycyclic(s2_4_5_ane)

C7H10(56)

[C]1CC2CCCC12

94.15

57.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.58	88.56	29.78	47.38	70.78	81.76
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_S) + radical(Allyl_P)

C7H10(57)

[CH2]C=C[CH]C1CC1

94.15

58.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.06	98.84	29.38	45.62	69.08	79.76
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cs_S) + radical(RCCJ)

C7H10(58)

[CH2]C[CH]C1C=CC1

94.15

59.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.19	94.80	27.95	44.72	69.07	80.14
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Cs_S) + radical(RCCJ)

C7H10(59)

[CH2][CH]C1C=CCC1

94.15

60.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.67	88.58	31.47	47.59	67.53	77.87
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ)

C7H9(60)

[CH2]C=CC=CC=C

93.15

61.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.65	95.78	32.58	47.21	66.56	75.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJ)

C7H9(61)

[CH2]CC=CC=C=C

93.15

62.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.20	78.59	22.36	32.81	46.20	53.36
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ) + radical(Cds_P)

C5H6(62)

[CH]=CC=C[CH2]

66.10

63.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.97	91.78	31.33	48.05	70.96	82.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Allyl_S) + radical(C=CC=CCJ)

C7H10(63)

[CH2]C=CC=C[CH]C

94.15

64.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.47	100.18	33.60	48.23	69.34	79.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(RCCJ) + radical(Cds_S)

C7H10(64)

[CH2]CC=CC=[C]C

94.15

65.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.37	97.40	32.50	48.23	70.32	81.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) + radical(Cds_S)

C7H10(65)

[CH2]C=CC=[C]CC

94.15

66.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.27	99.08	34.05	48.74	70.09	80.78
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C) + radical(RCCJ)

C7H10(66)

[CH2]CC=C[C]=CC

94.15

67.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.17	96.30	32.98	48.73	71.11	83.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) + radical(C=CJC=C)

C7H10(67)

[CH2]C=C[C]=CCC

94.15

68.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.27	99.08	34.05	48.74	70.09	80.78
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(RCCJ) + radical(C=CJC=C)

C7H10(68)

[CH2]CC=[C]C=CC

94.15

69.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.17	96.30	32.98	48.73	71.11	83.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C) + radical(C=CC=CCJ)

C7H10(69)

[CH2]C=[C]C=CCC

94.15

70.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.47	100.18	33.60	48.23	69.34	79.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S) + radical(RCCJ)

C7H10(70)

[CH2]C[C]=CC=CC

94.15

71.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.71	92.69	33.53	49.11	70.89	81.89
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Allyl_S) + radical(C=CJC=C)

C7H10(71)

C=[C]C=C[CH]CC

94.15

72.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.59	61.91	11.02	15.33	22.22	27.95
Thermo group additivity estimation: group(Cs-CsHHH) + group(Cs-CsHHH) + radical(CCJ) + radical(CCJ)

C2H4(72)

[CH2][CH2]

28.05

74.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.98	78.41	19.60	27.68	39.66	45.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ) + radical(Cds_P)

C4H6(74)

[CH]=CC[CH2]

54.09

73.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.24	65.99	15.44	22.64	34.38	40.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(AllylJ2_triplet)

C3H4(73)

[CH]C=C

40.06

75.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.30	101.05	29.41	45.48	68.64	79.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(cyclopropane) + radical(RCCJ)

C7H10(75)

[CH2]CC=CC1[CH]C1

94.15

76.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.80	94.67	28.60	45.85	70.38	81.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Allyl_P)

C7H10(76)

[CH2]C=CC1[CH]CC1

94.15

77.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.79	86.55	27.96	45.55	70.16	81.54
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) + radical(RCCJ)

C7H10(77)

[CH2]CC1[CH]C=CC1

94.15

78.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.69	82.23	27.54	45.56	70.98	83.68
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Isobutyl) + radical (cyclohexene-allyl)

C7H10(78)

[CH2]C1[CH]C=CCC1

94.15

79.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
31.77	89.33	33.29	49.53	70.10	80.34
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH)

C7H10(79)

C=CC=CC=CC

94.15

80.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.65	92.37	33.35	49.10	70.26	80.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds)

C7H10(80)

C=C=CC=CCC

94.15

82.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.56	46.64	8.34	8.91	10.50	11.68
Thermo library: primaryThermoLibrary

CH2(T)(82)

[CH2]

14.03

81.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.13	85.04	25.93	39.91	59.11	69.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) + radical(C=CC=CCJ)

C6H8(81)

[CH2]C=CC=C[CH2]

80.13

83.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.54	91.17	28.52	41.13	57.51	65.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(Cds_P) + radical(RCCJ)

C6H8(83)

[CH]=CC=CC[CH2]

80.13

84.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.65	95.78	32.58	47.21	66.56	75.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJ)

C7H9(84)

[CH2]CC=C=CC=C

93.15

85.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.67	104.97	32.49	47.05	68.92	78.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(RCCJ)

C7H10(85)

[CH2]CC=[C]CC=C

94.15

86.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.67	104.97	32.49	47.05	68.92	78.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ) + radical(Cds_S)

C7H10(86)

[CH2]CC=CC[C]=C

94.15

87.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.67	104.97	32.49	47.05	68.92	78.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(RCCJ)

C7H10(87)

[CH2]C[C]=CCC=C

94.15

88.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.87	104.55	32.61	47.62	69.23	79.10
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P) + radical(RCCJ)

C7H10(88)

[CH]=CCC=CC[CH2]

94.15

89.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.90	95.16	31.82	47.95	70.60	80.95
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_S) + radical(Allyl_P)

C7H10(89)

[CH2]C=C[CH]CC=C

94.15

90.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
94.17	97.14	34.69	52.07	76.73	88.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(AllylJ2_triplet)

C7H10(90)

[CH]C=CC=CCC

94.15

91.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.83	98.82	29.75	46.03	69.01	79.89
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane) + radical(RCCJ)

C7H10(91)

[CH2]CC1[CH]C1C=C

94.15

92.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.65	92.37	33.35	49.10	70.26	80.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds)

C7H10(92)

C=CC=C=CCC

94.15

93.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
27.21	83.54	28.90	45.67	69.74	80.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene)

C7H10(93)

C=CC1C=CCC1

94.15

94.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
39.64	79.36	28.08	41.82	58.08	66.37
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- CdsHH) + group(Cds-CdsHH)

C6H8(94)

C=CC=CC=C

80.13

95.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.41	101.01	33.82	48.78	69.62	79.46
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_S) + radical(RCCJ)

C7H10(95)

[CH2]CC[C]=CC=C

94.15

96.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.21	99.91	34.30	49.28	70.40	81.05
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C) + radical(RCCJ)

C7H10(96)

[CH2]CCC=[C]C=C

94.15

97.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.21	99.91	34.30	49.28	70.40	81.05
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(RCCJ) + radical(C=CJC=C)

C7H10(97)

[CH2]CCC=C[C]=C

94.15

98.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
40.75	62.05	14.87	21.84	31.82	36.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P)

C3H5(98)

[CH2]C=C

41.07

99.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
85.18	69.37	18.97	27.04	36.76	41.86
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C4H5(99)

[CH]=CC=C

53.08

100.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.62	56.61	10.05	13.59	18.90	21.88
Thermo group additivity estimation: group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C2H3(100)

[CH]=C

27.05

101.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.87	95.93	31.80	46.43	65.90	75.20
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_S)

C7H9(101)

C=CC=[C]CC=C

93.15

102.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.87	95.93	31.80	46.43	65.90	75.20
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_S)

C7H9(102)

C=[C]CC=CC=C

93.15

103.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.51	82.75	23.05	33.55	48.38	55.47
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C5H7(103)

[CH]=CCC=C

67.11

104.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.67	94.83	32.28	46.93	66.68	76.79
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H9(104)

C=C[C]=CCC=C

93.15

105.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.67	94.83	32.28	46.93	66.68	76.79
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H9(105)

C=[C]C=CCC=C

93.15

106.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.07	95.51	31.97	46.99	66.23	75.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C7H9(106)

[CH]=CCC=CC=C

93.15

107.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.07	95.51	31.97	46.99	66.23	75.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C7H9(107)

[CH]=CC=CCC=C

93.15

108.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.86	96.40	32.50	48.70	70.79	81.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Allyl_P) + radical(Allyl_P)

C7H10(108)

[CH2]C=CCC=C[CH2]

94.15

109.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.49	106.89	31.86	45.79	68.02	78.74
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(RCCJCC) + radical(Cds_S)

C7H10(109)

C=[C]C[CH]CC=C

94.15

110.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.30	100.78	33.00	48.11	70.05	79.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Cds_S)

C7H10(110)

[CH2]C=CCC[C]=C

94.15

111.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.69	106.47	32.10	46.27	68.48	78.99
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(RCCJCC)

C7H10(111)

[CH]=CC[CH]CC=C

94.15

112.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.76	102.73	32.95	47.30	68.85	79.44
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(RCCJC) + radical(Cds_S)

C7H10(112)

C=CC=[C]C[CH]C

94.15

113.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.17	97.75	31.68	46.88	69.43	79.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Allyl_S)

C7H10(113)

C=CC[C]=C[CH]C

94.15

114.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
100.90	101.53	33.93	50.83	76.39	88.22
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(AllylJ2_triplet)

C7H10(114)

[CH]C=CCCC=C

94.15

115.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.50	100.36	33.16	48.69	70.33	80.25
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Cds_P)

C7H10(115)

[CH]=CCCC=C[CH2]

94.15

116.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.56	101.63	33.42	47.81	69.60	81.04
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C) + radical(RCCJC)

C7H10(116)

C=C[C]=CC[CH]C

94.15

117.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.70	97.35	32.09	46.82	69.47	79.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Allyl_S)

C7H10(117)

C=[C]C[CH]C=CC

94.15

118.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.56	101.63	33.42	47.81	69.60	81.04
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C) + radical(RCCJC)

C7H10(118)

C=[C]C=CC[CH]C

94.15

119.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.90	96.93	32.23	47.39	69.79	79.84
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_S) + radical(Cds_P)

C7H10(119)

[CH]=CC[CH]C=CC

94.15

120.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.96	102.31	33.19	47.80	69.29	79.68
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P) + radical(RCCJC)

C7H10(120)

[CH]=CC=CC[CH]C

94.15

121.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
29.65	75.58	26.42	44.21	69.97	81.74
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_3_6_ene_1)

C7H10(121)

C1=CC2CC2CC1

94.15

122.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
117.51	118.31	34.72	49.30	71.58	82.24
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group (CsJ2_singlet-CsH)

C7H10(122)

C=CC[C]CC=C

94.15

123.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.95	115.67	35.19	50.40	72.37	82.65
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- CdsHH) + group(CsJ2_singlet-CsH)

C7H10(123)

C=CC=CC[C]C

94.15

124.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
117.68	120.06	34.34	49.27	71.82	82.25
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH)

C7H10(124)

C=C[C]CCC=C

94.15

125.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
115.21	119.63	33.75	48.72	71.59	82.05
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs- CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(CsJ2_singlet-CsH)

C7H10(125)

C=CCC=C[C]C

94.15

126.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.39	97.24	34.26	49.18	70.13	79.44
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(CsJ2_singlet-CsH)

C7H10(126)

[CH]CCC=CC=C

94.15

127.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.48	100.82	33.09	47.55	69.16	78.73
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs- CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(CsJ2_singlet-CsH)

C7H10(127)

[CH]CC=CCC=C

94.15

128.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.59	98.21	25.59	41.98	67.89	80.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(cyclopentane) + radical(Cs_S)

C7H10(128)

C=CC1[CH]C[CH]C1

94.15

129.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.64	63.40	11.98	19.06	30.35	36.01
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + ring(Cyclopropane) + radical(cyclopropane)

C3H5(129)

[CH]1CC1

41.07

130.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.90	82.43	28.31	45.10	66.45	77.31
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Allyl_T)

C7H9(130)

C=CC=C[C]1CC1

93.15

131.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.50	92.01	28.79	44.83	65.73	75.83
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C7H9(131)

C=CC=CC1[CH]C1

93.15

132.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.50	89.31	29.77	45.90	66.13	76.08
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_S)

C7H9(132)

C=CC=[C]C1CC1

93.15

133.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.14	76.13	21.03	33.02	48.62	56.35
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P)

C5H7(133)

[CH]=CC1CC1

67.11

134.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.30	88.21	30.25	46.40	66.93	77.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(C=CJC=C)

C7H9(134)

C=C[C]=CC1CC1

93.15

135.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.30	88.21	30.25	46.40	66.93	77.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(C=CJC=C)

C7H9(135)

C=[C]C=CC1CC1

93.15

136.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.70	88.89	29.95	46.46	66.48	76.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P)

C7H9(136)

[CH]=CC=CC1CC1

93.15

137.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.54	45.20	8.09	8.63	10.51	11.83
Thermo library: primaryThermoLibrary

CH2(137)

[CH2]

14.03

138.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.48	96.23	30.45	46.00	69.27	80.11
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(Tertalkyl)

C7H10(138)

[CH2]C=CC[C]1CC1

94.15

139.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.30	98.35	30.40	46.55	69.03	79.75
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S) + radical(RCCJ)

C7H10(139)

[CH2]C[C]=CC1CC1

94.15

140.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.17	99.83	30.25	45.94	68.85	79.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cs_S) + radical(Cds_S)

C7H10(140)

C=[C]C[CH]C1CC1

94.15

141.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.98	96.88	29.96	46.49	69.74	80.57
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(cyclopropane)

C7H10(141)

[CH2]C=CCC1[CH]C1

94.15

142.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.30	98.35	30.40	46.55	69.03	79.75
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S) + radical(RCCJ)

C7H10(142)

[CH2]CC=[C]C1CC1

94.15

143.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.37	99.41	30.42	46.50	69.17	79.53
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P) + radical(Cs_S)

C7H10(143)

[CH]=CC[CH]C1CC1

94.15

144.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.17	102.53	29.27	44.86	68.46	79.01
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cs_S) + radical(cyclopropane)

C7H10(144)

C=CC[CH]C1[CH]C1

94.15

145.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.80	91.13	29.64	46.36	69.57	80.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_S) + radical(Cds_S)

C7H10(145)

C[CH]C=[C]C1CC1

94.15

146.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.58	94.93	31.88	50.27	76.51	89.06
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(AllylJ2_triplet)

C7H10(146)

[CH]C=CCC1CC1

94.15

147.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.70	91.47	28.93	45.75	69.34	80.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(RCCJ) + radical(Allyl_T)

C7H10(147)

[CH2]CC=C[C]1CC1

94.15

148.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.20	84.25	28.18	45.56	69.88	81.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_T) + radical(Allyl_S)

C7H10(148)

C[CH]C=C[C]1CC1

94.15

149.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.38	93.45	29.01	45.20	69.16	80.17
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_S) + radical(cyclopropane)

C7H10(149)

CC=C[CH]C1[CH]C1

94.15

150.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.69	85.93	31.51	48.06	70.00	80.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Methylene_cyclopropane)

C7H10(150)

CC=CC=C1CC1

94.15

151.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.52	100.54	33.50	49.03	69.55	81.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Isobutyl)

C7H10(151)

[CH2]C([CH2])C=CC=C

94.15

152.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.36	113.46	32.43	48.55	72.20	83.03
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group (CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(152)

C=CC[C]C1CC1

94.15

153.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.36	113.46	32.43	48.55	72.20	83.03
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group (CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(153)

C=C[C]CC1CC1

94.15

154.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.84	113.01	31.81	48.11	71.87	82.93
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(154)

C[C]C=CC1CC1

94.15

155.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.11	94.20	31.13	46.94	69.42	79.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(155)

[CH]CC=CC1CC1

94.15

156.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
76.60	60.22	14.04	23.56	36.66	42.90
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical (cyclobutene-allyl)

C4H5(156)

[CH]1C=CC1

53.08

157.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
82.17	85.61	27.09	43.50	66.21	77.25
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(Allyl_T)

C7H9(157)

C=CC[C]1C=CC1

93.15

158.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.58	75.86	20.18	32.15	48.49	57.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Isobutyl)

C5H7(158)

[CH2]C1C=CC1

67.11

159.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.24	86.37	29.50	45.24	66.84	76.88
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Allyl_P)

C7H9(159)

[CH2]C=CC1C=CC1

93.15

160.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.97	85.49	27.39	44.12	66.54	76.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(cyclobutene- allyl)

C7H9(160)

C=CCC1[CH]C=C1

93.15

161.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.27	91.11	28.56	44.30	65.90	76.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(cyclobutene- vinyl)

C7H9(161)

C=CCC1[C]=CC1

93.15

162.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.27	91.11	28.56	44.30	65.90	76.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(cyclobutene- vinyl)

C7H9(162)

C=CCC1C=[C]C1

93.15

163.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.77	91.11	28.56	44.30	65.90	76.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(Cds_S)

C7H9(163)

C=[C]CC1C=CC1

93.15

164.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.97	90.69	28.73	44.87	66.24	76.27
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(Cds_P)

C7H9(164)

[CH]=CCC1C=CC1

93.15

165.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.79	99.74	28.60	43.68	68.70	79.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Tertalkyl)

C7H10(165)

C=CC[C]1C[CH]C1

94.15

166.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.19	100.39	28.10	44.17	69.14	80.32
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclobutane)

C7H10(166)

C=CCC1[CH]C[CH]1

94.15

167.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.80	94.67	28.60	45.85	70.38	81.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_P) + radical(cyclobutane)

C7H10(167)

[CH2]C=CC1C[CH]C1

94.15

168.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.19	100.39	28.10	44.17	69.14	80.32
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclobutane)

C7H10(168)

C=CCC1[CH][CH]C1

94.15

169.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.01	90.71	29.09	45.87	69.80	81.47
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ) + radical(Allyl_T)

C7H10(169)

[CH2]CC[C]1C=CC1

94.15

170.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.79	101.12	28.60	43.68	68.70	79.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Tertalkyl) + radical(cyclobutane)

C7H10(170)

C=CC[C]1[CH]CC1

94.15

171.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.36	92.42	28.24	44.36	69.06	81.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Allyl_T) + radical(RCCJC)

C7H10(171)

C[CH]C[C]1C=CC1

94.15

172.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
130.11	96.21	30.56	46.67	69.50	80.23
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl) + radical(RCCJ)

C7H10(172)

[CH2]CCC1[C]=CC1

94.15

173.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.29	97.69	29.08	45.24	69.53	80.58
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_S) + radical(cyclobutane)

C7H10(173)

C=[C]CC1C[CH]C1

94.15

174.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.16	92.30	28.54	44.97	69.40	81.15
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJC) + radical (cyclobutene-allyl)

C7H10(174)

C[CH]CC1[CH]C=C1

94.15

175.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.46	97.92	29.71	45.15	68.78	80.21
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJC) + radical (cyclobutene-vinyl)

C7H10(175)

C[CH]CC1[C]=CC1

94.15

176.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.29	97.69	29.08	45.24	69.53	80.58
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Cds_S)

C7H10(176)

C=[C]CC1[CH]CC1

94.15

177.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
130.11	96.21	30.56	46.67	69.50	80.23
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl) + radical(RCCJ)

C7H10(177)

[CH2]CCC1C=[C]C1

94.15

178.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.49	97.27	29.25	45.81	69.86	80.84
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_P) + radical(cyclobutane)

C7H10(178)

[CH]=CCC1C[CH]C1

94.15

179.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.46	97.92	29.71	45.15	68.78	80.21
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl) + radical(RCCJC)

C7H10(179)

C[CH]CC1C=[C]C1

94.15

180.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.49	97.27	29.25	45.81	69.86	80.84
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_P) + radical(cyclobutane)

C7H10(180)

[CH]=CCC1[CH]CC1

94.15

181.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.35	103.98	33.14	48.29	69.48	80.43
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Isobutyl)

C7H10(181)

[CH]=CC([CH2])CC=C

94.15

182.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.20	111.63	30.71	47.93	72.87	84.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclobutane)

C7H10(182)

C=CCC1[C]CC1

94.15

183.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.20	110.26	30.71	47.93	72.87	84.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclobutane)

C7H10(183)

C=CCC1C[C]C1

94.15

184.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.32	111.25	31.61	48.27	72.37	83.55
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclobutene)

C7H10(184)

C[C]CC1C=CC1

94.15

185.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.59	92.44	30.94	47.11	69.93	80.22
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclobutene)

C7H10(185)

[CH]CCC1C=CC1

94.15

186.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.47	83.23	24.33	41.20	68.89	81.03
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C6) + radical(bicyclo[3.1.1]heptane-C3)

C7H10(186)

[CH]1CC2[CH]C(C1)C2

94.15

187.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
100.95	86.56	26.02	42.18	65.19	76.13
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + ring(Cyclobutene) + radical(Tertalkyl)

C7H9(187)

C1=CC(C1)[C]1CC1

93.15

188.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.85	79.01	25.06	42.92	66.43	78.05
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + ring(Cyclobutene) + radical(Allyl_T)

C7H9(188)

C1=C[C](C1)C1CC1

93.15

189.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.45	87.21	25.54	42.65	65.71	76.57
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + ring(Cyclobutene) + radical(cyclopropane)

C7H9(189)

[CH]1CC1C1C=CC1

93.15

190.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.65	78.89	25.36	43.54	66.77	77.76
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + ring(Cyclopropane) + radical (cyclobutene-allyl)

C7H9(190)

[CH]1C=CC1C1CC1

93.15

191.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.95	84.51	26.53	43.73	66.11	76.82
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + ring(Cyclopropane) + radical (cyclobutene-vinyl)

C7H9(191)

[C]1=CCC1C1CC1

93.15

192.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.95	84.51	26.53	43.73	66.11	76.82
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + ring(Cyclobutene) + radical (cyclobutene-vinyl)

C7H9(192)

[C]1=CC(C1)C1CC1

93.15

193.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.01	78.16	24.87	38.33	57.36	66.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene)

C6H8(193)

C=CC1C=CC1

80.13

194.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.47	93.14	26.55	43.12	68.80	80.69
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclobutane) + ring(Cyclopropane) + radical(cyclobutane) + radical(Tertalkyl)

C7H10(194)

[CH]1C[C](C1)C1CC1

94.15

195.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.87	93.79	26.06	43.60	69.31	81.14
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclobutane)

C7H10(195)

[CH]1C[CH]C1C1CC1

94.15

196.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.47	93.14	26.55	43.12	68.80	80.69
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(Tertalkyl) + radical(cyclobutane)

C7H10(196)

[CH]1CC(C1)[C]1CC1

94.15

197.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.87	93.79	26.06	43.60	69.31	81.14
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclobutane) + ring(Cyclopropane) + radical(cyclobutane) + radical(cyclobutane)

C7H10(197)

[CH]1[CH]C(C1)C1CC1

94.15

198.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.47	94.52	26.55	43.12	68.80	80.69
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(Tertalkyl) + radical(cyclobutane)

C7H10(198)

[CH]1CC[C]1C1CC1

94.15

199.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.47	93.14	26.55	43.12	68.80	80.69
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(Tertalkyl) + radical(cyclobutane)

C7H10(199)

[CH]1CCC1[C]1CC1

94.15

200.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.97	93.79	26.06	43.60	69.31	81.14
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclopropane)

C7H10(200)

[CH]1CC(C1)C1[CH]C1

94.15

201.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.97	93.79	26.06	43.60	69.31	81.14
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclopropane)

C7H10(201)

[CH]1CC1C1[CH]CC1

94.15

202.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.47	95.73	30.25	46.85	69.54	82.31
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Isobutyl) + radical(Isobutyl)

C7H10(202)

[CH2]C([CH2])C1C=CC1

94.15

203.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.03	97.38	31.10	47.72	69.68	81.24
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P) + radical(Isobutyl)

C7H10(203)

[CH]=CC([CH2])C1CC1

94.15

204.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.88	105.03	28.68	47.36	73.07	85.09
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(CsJ2_singlet-CsH) + ring(Cyclopropane) + ring(Cyclobutane)

C7H10(204)

[C]1CCC1C1CC1

94.15

205.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.88	103.66	28.68	47.36	73.07	85.09
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(CsJ2_singlet-CsH) + ring(Cyclopropane) + ring(Cyclobutane)

C7H10(205)

[C]1CC(C1)C1CC1

94.15

206.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.98	94.18	30.95	47.56	70.13	80.82
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(Cds_S)

C7H10(206)

[CH2]C=[C]CC1CC1

94.15

207.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.38	90.75	30.00	46.28	69.55	80.43
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S) + radical(Allyl_S)

C7H10(207)

C[C]=C[CH]C1CC1

94.15

208.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.98	94.18	30.95	47.56	70.13	80.82
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(Cds_S)

C7H10(208)

[CH2][C]=CCC1CC1

94.15

209.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.38	90.75	30.00	46.28	69.55	80.43
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S) + radical(Allyl_S)

C7H10(209)

CC=[C][CH]C1CC1

94.15

210.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.26	92.52	27.91	45.47	69.17	81.53
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + ring(Cyclopropane) + radical(cyclopropane) + radical(Isobutyl)

C7H10(210)

[CH2]C1[CH]C1C1CC1

94.15

211.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.85	95.93	27.23	44.29	68.62	79.83
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclopropane) + radical(Cs_S) + radical(cyclopropane)

C7H10(211)

[CH]1CC1[CH]C1CC1

94.15

212.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.37	89.33	30.29	46.81	69.68	80.51
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cdd-CdsCds) + ring(Cyclopropane)

C7H10(212)

CC=C=CC1CC1

94.15

213.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.06	90.16	30.55	47.30	70.04	80.76
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + ring(Cyclopropane)

C7H10(213)

C=C=CCC1CC1

94.15

214.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.66	69.19	17.70	27.68	40.65	47.18
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + radical(CCJ2_triplet)

C4H6(214)

[CH]C1CC1

54.09

215.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.76	85.51	26.42	42.07	64.11	74.85
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + ring(Cyclopropane) + radical(AllylJ2_triplet)

C6H8(215)

[CH]C=CC1CC1

80.13

216.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.67	101.88	29.78	44.38	68.03	78.54
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cs_S) + radical(Tertalkyl)

C7H10(216)

C=CC[CH][C]1CC1

94.15

217.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.90	65.60	18.07	30.90	49.03	57.49
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl)

C5H7(217)

[CH]1C=CCC1

67.11

218.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.22	85.08	26.89	43.82	67.35	78.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + ring(3-Methylenecyclopentene) + radical(C=CC=CCJ)

C7H9(218)

[CH2]C=C1C=CCC1

93.15

219.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.81	88.05	27.55	42.69	65.56	75.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(cyclopentene-4)

C7H9(219)

C=CC1[CH]CC=C1

93.15

220.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.20	81.45	25.96	43.22	66.55	77.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical (cyclopentene-allyl)

C7H9(220)

C=CC1[CH]C=CC1

93.15

221.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.81	85.35	28.54	43.77	65.95	76.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical (cyclopentene-vinyl)

C7H9(221)

C=CC1[C]=CCC1

93.15

222.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.81	85.35	28.54	43.77	65.95	76.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical (cyclopentene-vinyl)

C7H9(222)

C=CC1C=[C]CC1

93.15

223.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.11	85.35	28.54	43.77	65.95	76.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(Cds_S)

C7H9(223)

C=[C]C1C=CCC1

93.15

224.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.31	84.93	28.71	44.33	66.28	76.43
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(Cds_P)

C7H9(224)

[CH]=CC1C=CCC1

93.15

225.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.95	91.09	27.45	44.52	70.39	82.30
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(methylenecyclopentane) + radical(Allyl_P) + radical(cyclopentane)

C7H10(225)

[CH2]C=C1C[CH]CC1

94.15

226.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.68	87.75	28.49	45.87	70.22	81.47
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) + radical(RCCJ)

C7H10(226)

[CH2]CC1=C[CH]CC1

94.15

227.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.44	94.87	28.14	44.70	69.10	80.35
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(RCCJ) + radical(cyclopentene-4)

C7H10(227)

[CH2]CC1[CH]CC=C1

94.15

228.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.44	92.17	29.12	45.77	69.49	80.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-vinyl) + radical(RCCJ)

C7H10(228)

[CH2]CC1[C]=CCC1

94.15

229.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.14	95.58	26.77	43.03	68.30	80.99
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(cyclopentane) + radical(Cds_S)

C7H10(229)

C=[C]C1C[CH]CC1

94.15

230.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.64	97.75	25.86	42.87	68.34	80.25
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cs_S) + radical(Cs_S)

C7H10(230)

C=CC1[CH]CC[CH]1

94.15

231.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.79	95.90	27.38	43.64	68.59	79.76
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Cs_S) + radical(cyclopentene-4)

C7H10(231)

C[CH]C1[CH]CC=C1

94.15

232.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.79	93.20	28.36	44.72	68.98	80.01
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Cs_S) + radical (cyclopentene-vinyl)

C7H10(232)

C[CH]C1[C]=CCC1

94.15

233.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.19	95.12	27.03	43.92	68.76	80.73
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cs_S) + radical(Cds_S)

C7H10(233)

C=[C]C1[CH]CCC1

94.15

234.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.54	98.67	25.33	41.09	67.44	80.79
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(cyclopentane) + radical(cyclopentane)

C7H10(234)

C=CC1C[CH][CH]C1

94.15

235.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.15	82.38	27.72	46.27	71.91	83.44
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(methylenecyclopentane) + radical(Allyl_P) + radical(Allyl_S)

C7H10(235)

[CH2]C=C1[CH]CCC1

94.15

236.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.44	92.17	29.12	45.77	69.49	80.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(RCCJ) + radical (cyclopentene-vinyl)

C7H10(236)

[CH2]CC1C=[C]CC1

94.15

237.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.34	95.16	26.94	43.60	68.65	81.25
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cds_P) + radical(cyclopentane)

C7H10(237)

[CH]=CC1C[CH]CC1

94.15

238.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.14	87.58	27.20	44.49	69.64	80.95
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) + radical(Cs_S)

C7H10(238)

C[CH]C1[CH]C=CC1

94.15

239.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.79	93.20	28.36	44.72	68.98	80.01
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-vinyl) + radical(Cs_S)

C7H10(239)

C[CH]C1C=[C]CC1

94.15

240.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.56	101.96	34.29	48.70	69.51	79.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(RCCJ) + radical(Cds_P)

C7H10(240)

[CH]=CC(C=C)C[CH2]

94.15

241.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.62	99.66	33.93	48.63	70.17	81.01
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Allyl_P)

C7H10(241)

[CH2]C=CC([CH2])C=C

94.15

242.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.13	108.75	29.21	46.49	72.11	84.49
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group (CsJ2_singlet-CsH) + ring(Cyclopentane)

C7H10(242)

C=CC1[C]CCC1

94.15

243.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.55	109.13	28.85	46.58	72.14	84.63
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclopentane)

C7H10(243)

C=CC1C[C]CC1

94.15

244.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.03	106.83	30.54	47.29	72.35	83.78
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopentene)

C7H10(244)

C[C]C1C=CCC1

94.15

245.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.72	88.40	29.50	46.22	69.91	80.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopentene)

C7H10(245)

[CH]CC1C=CCC1

94.15

246.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.02	82.67	23.73	40.87	68.79	80.98
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_5_5_ane) + radical(7-norbornyl) + radical(2-norbornyl)

C7H10(246)

[CH]1CC2[CH]C1CC2

94.15

247.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.35	72.39	22.77	45.85	65.94	78.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(Allyl_S)

C7H9(247)

[CH]1C=CCC=CC1

93.15

248.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.75	79.39	23.94	46.04	65.28	77.44
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(Cds_S)

C7H9(248)

[C]1=CCC=CCC1

93.15

249.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.75	79.39	23.94	46.04	65.28	77.44
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(Cds_S)

C7H9(249)

[C]1=CCCC=CC1

93.15

250.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.51	86.11	25.52	46.97	68.19	81.54
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC) + radical(Cds_S)

C7H10(250)

[C]1=CCC[CH]CC1

94.15

251.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.87	98.59	27.60	50.52	72.03	85.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cycloheptane)

C7H10(251)

[C]1CCC=CCC1

94.15

252.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
49.34	87.83	29.10	46.68	69.61	80.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopropane)

C7H10(252)

C=CC1CC1C=C

94.15

253.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.03	83.72	24.96	41.52	69.14	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-2) + radical(bicyclo[3.2.0]heptane-C5-2)

C7H10(253)

[CH]1C[CH]C2CCC12

94.15

254.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.72	87.11	25.77	41.89	69.19	80.97
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-2) + radical(bicyclo[4.1.0]heptane-C6-2)

C7H10(254)

[CH]1CC[CH]C2CC12

94.15

255.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.15	72.28	26.47	42.09	63.65	73.63
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cdd-CdsCds) + ring(1_2_cycloheptadiene)

C7H8(255)

C1=CC=CCCC=1

92.14

256.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
82.24	68.34	20.64	43.97	63.26	75.83
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(Allyl_S) + radical(C=CCJC=C)

C7H8(256)

[CH]1C=C[CH]CC=C1

92.14

257.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.64	75.34	21.80	44.16	62.60	74.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(C=CCJC=C) + radical(Cds_S)

C7H8(257)

[C]1=C[CH]C=CCC1

92.14

258.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.08	54.62	31.57	46.31	65.70	75.13
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(C=CJC=C) + radical(Allyl_S)

C7H8(258)

[C]1=CCC[CH]C=C1

92.14

259.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.54	80.09	25.07	41.23	65.77	76.71
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_3_6_ene_1) + radical(cyclopropane)

C7H9(259)

[CH]1C2C=CCCC12

93.15

260.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.24	92.34	27.75	43.70	65.39	75.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C7H9(260)

C=CC1[CH]C1C=C

93.15

261.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.08	53.24	31.57	46.31	65.70	75.13
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(Allyl_S) + radical(C=CJC=C)

C7H8(261)

[C]1=C[CH]CCC=C1

92.14

262.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.25	70.47	24.39	41.82	66.93	78.03
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_4_5_ene_1) + radical(cyclopentene- allyl)

C7H9(262)

[CH]1C=CC2CCC12

93.15

263.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.08	82.73	27.32	43.86	66.32	77.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Isobutyl)

C7H9(263)

[CH2]C1C=CC=CC1

93.15

264.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.73	76.98	28.48	45.12	70.57	82.08
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cdd-CdsCds) + ring(1_2_cycloheptadiene)

C7H10(264)

C1=CCCCCC=1

94.15

265.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.17	81.21	27.33	50.80	72.89	86.51
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Cds_S)

C7H11(265)

[C]1=CCCCCC1

95.16

266.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
44.62	82.92	25.88	48.87	72.00	86.32
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC)

C7H11(266)

[CH]1CCC=CCC1

95.16

267.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.52	82.60	27.11	44.86	73.35	86.01
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C3-7)

C7H11(267)

[CH]1C2CCCCC12

95.16

268.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
41.05	86.04	29.07	47.69	74.12	87.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Isobutyl)

C7H11(268)

[CH2]C1C=CCCC1

95.16

269.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.01	90.16	29.95	48.83	74.59	86.70
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_P)

C7H11(269)

[CH2]C=CC1CCC1

95.16

270.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.87	100.92	33.33	49.17	72.67	84.22
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(RCCJC)

C7H11(270)

C=CC=CC[CH]C

95.16

271.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
33.48	95.59	32.86	50.14	74.12	86.21
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ)

C7H11(271)

[CH2]C=CC=CCC

95.16

272.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.42	97.60	34.59	50.69	73.30	84.13
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(272)

C=CC=[C]CCC

95.16

273.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.22	96.50	35.07	51.19	74.07	85.73
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H11(273)

C=C[C]=CCCC

95.16

274.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.22	96.50	35.07	51.19	74.07	85.73
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H11(274)

C=[C]C=CCCC

95.16

275.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.62	97.18	34.76	51.26	73.61	84.39
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(275)

[CH]=CC=CCCC

95.16

276.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.66	71.33	16.32	23.16	34.33	40.06
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cs-CsHHH) + radical(RCCJ) + radical(RCCJ)

C3H6(276)

[CH2]C[CH2]

42.08

277.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.05	87.83	25.07	35.91	52.08	59.74
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P) + radical(RCCJ)

C5H8(277)

[CH]=CCC[CH2]

68.12

278.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
46.30	93.31	27.40	45.82	72.57	85.51
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cs_S)

C7H11(278)

C=CC1[CH]CCC1

95.16

279.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.58	98.37	33.92	50.17	73.04	84.00
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(RCCJ)

C7H11(279)

[CH2]CC=CC=CC

95.16

280.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.72	94.40	30.92	48.57	73.30	85.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ)

C7H11(280)

[CH2]CCC1C=CC1

95.16

281.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.45	89.78	28.70	42.47	60.97	70.04
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(RCCJ)

C6H9(281)

[CH2]CC=CC=C

81.14

282.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
115.61	97.97	34.12	49.93	70.67	80.57
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C7H10(282)

[CH]CCC=CC=C

94.15

283.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.33	80.58	26.31	44.49	73.31	86.11
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-6)

C7H11(283)

[CH]1CC2CCCC12

95.16

284.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.12	83.98	27.11	44.86	73.35	86.01
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-2)

C7H11(284)

[CH]1CCCC2CC12

95.16

285.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.35	101.57	34.01	50.01	73.29	83.94
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(285)

[CH]=CCCCC=C

95.16

286.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.78	103.16	32.79	48.97	72.66	83.64
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ)

C7H11(286)

[CH2]CC=CCC=C

95.16

287.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
40.80	86.04	29.07	47.65	74.14	87.53
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Isobutyl)

C7H11(287)

[CH2]C1CC=CCC1

95.16

288.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.36	79.40	26.87	50.03	70.32	82.94
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(CCJ2_triplet)

C7H10(288)

[C]1CC=CCCC1

94.15

289.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.09	92.37	31.31	49.46	73.94	85.60
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P)

C7H11(289)

[CH2]C=CCC1CC1

95.16

290.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.28	98.02	30.61	47.84	72.63	84.05
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cs_S)

C7H11(290)

C=CC[CH]C1CC1

95.16

291.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.41	96.54	30.76	48.46	72.84	84.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(RCCJ)

C7H11(291)

[CH2]CC=CC1CC1

95.16

292.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.49	88.94	30.36	48.18	73.35	85.21
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_S)

C7H11(292)

CC=C[CH]C1CC1

95.16

293.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.68	89.48	28.36	51.52	75.81	90.24
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- CsCsHH) + ring(Cycloheptane) + radical(cycloheptane) + radical(cycloheptane)

C7H12(293)

[CH]1[CH]CCCCC1

96.17

294.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.68	89.48	28.36	51.52	75.81	90.24
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- CsCsHH) + ring(Cycloheptane) + radical(cycloheptane) + radical(cycloheptane)

C7H12(294)

[CH]1C[CH]CCCC1

96.17

295.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.25	104.07	35.36	52.38	77.44	88.98
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + radical(Allyl_P) + radical(RCCJ)

C7H12(295)

[CH2]C=CCCC[CH2]

96.17

296.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.44	110.18	34.24	49.99	75.53	87.79
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ) + radical(RCCJCC)

C7H12(296)

[CH2]CC[CH]CC=C

96.17

297.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.32	108.25	34.84	51.32	76.40	87.89
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(RCCJ) + radical(RCCJ)

C7H12(297)

[CH2]CC=CCC[CH2]

96.17

298.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.65	100.64	34.43	51.09	76.89	88.58
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + radical(RCCJ) + radical(Allyl_S)

C7H12(298)

[CH2]CC[CH]C=CC

96.17

299.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
8.52	95.79	34.94	52.60	77.06	88.92
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH)

C7H12(299)

C=CC=CCCC

96.17

300.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.68	89.48	28.36	51.52	75.81	90.24
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- CsCsHH) + ring(Cycloheptane) + radical(cycloheptane) + radical(cycloheptane)

C7H12(300)

[CH]1CC[CH]CCC1

96.17

301.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.32	104.93	39.68	58.54	82.52	93.10
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsCsH) + group(Cs-CsCsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs -(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(C=CCJCO) + radical(ROOJ)

S(301)

C=C[CH]C(O[O])C1CC1

126.15

302.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.96	115.44	37.95	56.05	79.83	90.36
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs -(Cds-Cds)CsOsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(ROOJ) + radical(CCJCOOH)

S(302)

C=CC([CH]C1CC1)O[O]

126.15

303.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
82.72	114.54	37.76	56.26	79.66	90.32
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- Cds)CsOsH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(ROOJ) + radical(CJCOOH)

S(303)

[CH2]C(C=CC1CC1)O[O]

126.15

304.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.87	105.73	39.11	57.72	82.02	92.84
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsOsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(ROOJ) + radical(C=CCJCO)

S(304)

[O]OC[CH]C=CC1CC1

126.15

305.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
36.87	93.55	30.89	54.96	75.81	87.98
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)(Cds-Cds)OsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(ROOJ)

S(305)

[O]OC1C=CCCC=C1

125.15

306.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.64	95.59	33.78	52.68	80.55	92.52
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsOsH) + group(Cs-CsCsHH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(ROOJ) + radical(CCJCOOH)

S(306)

[O]OC1[CH]C2CCCC21

126.15

307.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
24.92	113.15	41.73	59.49	83.58	94.91
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsOsHH) + group(Cds-CdsCsH) + group (Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(ROOJ)

S(307)

C=CC=CCCCO[O]

127.16

308.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
11.60	94.13	34.48	59.91	83.43	97.43
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(ROOJ)

S(308)

[O]OC1CC=CCCC1

127.16

309.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
36.14	81.62	26.17	42.92	67.03	79.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_3_6_ane) - ring(Cyclohexane) - ring(Cyclopropane) + ring(Cyclohexene) + ring(Cyclopropane)

C7H10(309)

C1CCCC2CC=12

94.15

310.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.82	84.71	27.61	44.38	72.90	85.56
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane- tertiary)

C7H11(310)

C1CCC2C[C]2C1

95.16

311.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.02	83.98	27.11	44.86	73.35	86.01
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-3)

C7H11(311)

[CH]1CCC2CC2C1

95.16

312.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.42	89.22	26.27	41.42	68.73	80.51
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-2) + radical(bicyclo[4.1.0]heptane-tertiary)

C7H10(312)

[CH]1CCC[C]2CC12

94.15

313.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.42	89.22	26.27	41.42	68.73	80.51
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-2) + radical(bicyclo[4.1.0]heptane-tertiary)

C7H10(313)

[CH]1CCCC2C[C]12

94.15

314.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.12	88.49	25.77	41.89	69.19	80.97
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C3-7) + radical(bicyclo[4.1.0]heptane-C6-2)

C7H10(314)

[CH]1CCCC2[CH]C12

94.15

315.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.62	88.49	25.77	41.89	69.19	80.97
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-2) + radical(bicyclo[4.1.0]heptane-C6-3)

C7H10(315)

[CH]1C[CH]C2CC2C1

94.15

316.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.62	88.49	25.77	41.89	69.19	80.97
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-2) + radical(bicyclo[4.1.0]heptane-C6-3)

C7H10(316)

[CH]1[CH]C2CC2CC1

94.15

317.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.94	94.31	31.10	49.01	73.22	84.92
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(RCCJ)

C7H11(317)

[CH2]CC1CC1C=C

95.16

318.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
31.87	70.40	22.93	39.10	62.30	73.01
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl)

C6H9(318)

[CH]1C=CCCC1

81.14

319.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.27	78.72	25.68	44.17	73.08	86.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C6)

C7H11(319)

[CH]1C2CCCC1C2

95.16

320.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.56	83.58	28.21	46.64	73.62	86.94
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Isobutyl)

C7H11(320)

[CH2]C1CCC2CC12

95.16

321.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
115.62	79.47	27.64	45.17	71.14	82.70
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(CCJ2_triplet)

C7H10(321)

[C]1CCCC2CC12

94.15

322.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
28.53	91.19	30.31	55.51	76.66	89.49
Thermo group additivity estimation: group(O2s-O2s(Cds-Cd)) + group(O2s-OsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds- Cds)HH) + group(Cds-CdsCsOs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(C=CCJC=C)

S(322)

OOC1=C[CH]C=CCC1

125.15

323.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.83	77.98	40.82	58.57	79.88	88.26
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(CCJCOOH)

S(323)

OOC1[CH]CC=CC=C1

125.15

324.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.85	75.00	41.19	58.59	79.95	88.19
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(Cds_S)

S(324)

OOC1[C]=CC=CCC1

125.15

325.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
25.81	89.00	30.66	56.84	78.04	90.56
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(C=CCJC=C)

S(325)

OOC1C=C[CH]C=CC1

125.15

326.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.65	73.90	41.65	59.10	80.71	89.79
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(C=CJC=C)

S(326)

OOC1C=[C]C=CCC1

125.15

327.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.85	75.00	41.19	58.59	79.95	88.19
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(Cds_S)

S(327)

OOC1C=CC=[C]CC1

125.15

328.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.65	73.90	41.65	59.10	80.71	89.79
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(C=CJC=C)

S(328)

OOC1C=C[C]=CCC1

125.15

329.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.62	91.41	28.29	51.98	71.72	84.41
Thermo group additivity estimation: group(O2s-O2s(Cds-Cd)) + group(O2s-OsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds- Cds)HH) + group(Cds-CdsCsOs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(C=CCJC=C) + radical(ROOJ)

S(329)

[O]OC1=C[CH]C=CCC1

124.14

330.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.92	78.20	38.84	54.99	75.01	83.16
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(CCJCOOH) + radical(ROOJ)

S(330)

[O]OC1[CH]CC=CC=C1

124.14

331.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.90	89.22	28.64	53.31	73.09	85.49
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(ROOJ) + radical(C=CCJC=C)

S(331)

[O]OC1C=C[CH]C=CC1

124.14

332.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.94	75.22	39.11	55.11	74.89	83.14
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(Cds_S) + radical(ROOJ)

S(332)

[O]OC1[C]=CC=CCC1

124.14

333.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.94	75.22	39.11	55.11	74.89	83.14
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(ROOJ) + radical(Cds_S)

S(333)

[O]OC1C=CC=[C]CC1

124.14

334.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.74	74.12	39.58	55.62	75.65	84.75
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(C=CJC=C) + radical(ROOJ)

S(334)

[O]OC1C=[C]C=CCC1

124.14

335.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.74	74.12	39.58	55.62	75.65	84.75
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(C=CJC=C) + radical(ROOJ)

S(335)

[O]OC1C=C[C]=CCC1

124.14

336.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
26.64	42.61	41.47	59.80	83.17	91.13
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group (Cs-CsCsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(PolycyclicRing) - ring(Cycloheptane) - ring(12dioxolane) + ring(Cycloheptene) + ring(12dioxolane) + radical(CCJCOOH)

S(336)

[CH]1C2C=CCCC1OO2

125.15

337.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
26.89	42.95	41.59	60.11	82.65	86.62
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- Cds)CsOsH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(PolycyclicRing) - ring(Cycloheptane) - ring(12dioxane) + ring(Cycloheptane) + ring(36dihydro12dioxin) + radical(CCJCOOH)

S(337)

[CH]1CCC2C=CC1OO2

125.15

338.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
7.82	31.99	42.81	62.36	85.73	93.54
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group (Cs-CsCsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(PolycyclicRing) - ring(Cycloheptane) - ring(12dioxane) + ring(Cycloheptane) + ring(12dioxane) + radical(C=CCJCO)

S(338)

[CH]1C=CC2CCC1OO2

125.15

339.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
6.99	32.10	43.16	62.30	85.85	93.84
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group (Cs-CsCsOsH) + group(Cs-CsCsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(PolycyclicRing) - ring(Cycloheptane) - ring(12dioxetane) + ring(Cycloheptene) + ring(12dioxetane) + radical(C=CCJCO)

S(339)

[CH]1C=CCCC2OOC12

125.15

340.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.77	75.60	39.13	55.68	77.34	86.84
Thermo group additivity estimation: group(O2s-O2s(Cds-Cd)) + group(O2s-OsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group (Cds-CdsCsOs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(ROOJ)

S(340)

[O]OC1=CC=CCCC1

125.15

341.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
36.22	72.45	39.80	56.96	78.75	88.25
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsOsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(ROOJ)

S(341)

[O]OC1CC=CC=CC1

125.15

342.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.28	88.73	32.58	50.79	76.45	87.68
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsOsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_5_ane) - ring(Cyclopentane) - ring(Cyclobutane) + ring(Cyclopentane) + ring(Cyclobutene) + radical(ROOJ)

S(342)

[O]OC1CCC2C=CC21

125.15

344.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.57	38.49	4.97	4.97	4.97	4.97
Thermo library: primaryThermoLibrary

O(T)(344)

[O]

16.00

343.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
37.04	65.15	35.68	53.02	73.86	83.02
Thermo group additivity estimation: group(O2s-CsH) + group(Cs-CsCsHH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(CC(C)OJ)

C7H9O(343)

[O]C1C=CC=CCC1

109.15

345.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
11.55	93.25	34.31	60.07	83.80	97.26
Thermo group additivity estimation: group(O2s-O2s(Cds-Cd)) + group(O2s-OsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsOs) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Allyl_S)

S(345)

OOC1=C[CH]CCCC1

127.16

346.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
23.21	99.66	35.51	61.51	84.56	97.44
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(CCJCOOH)

S(346)

OOC1[CH]CCCC=C1

127.16

347.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
32.23	96.68	35.82	61.58	84.51	97.40
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Cds_S)

S(347)

OOC1[C]=CCCCC1

127.16

348.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
21.68	99.77	34.38	59.65	83.63	97.21
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC)

S(348)

OOC1C=CCC[CH]C1

127.16

349.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
32.23	96.68	35.82	61.58	84.51	97.40
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Cds_S)

S(349)

OOC1C=[C]CCCC1

127.16

350.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
21.68	99.77	34.38	59.65	83.63	97.21
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC)

S(350)

OOC1C=CC[CH]CC1

127.16

351.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
3.56	89.15	37.24	63.99	87.26	100.18
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(C=CCJCO)

S(351)

OOC1[CH]C=CCCC1

127.16

352.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.77	99.99	32.36	56.12	78.68	92.13
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(ROOJ) + radical(RCCJCC)

S(352)

[O]OC1C=CCC[CH]C1

126.15

353.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.64	93.47	32.29	56.54	78.85	92.19
Thermo group additivity estimation: group(O2s-O2s(Cds-Cd)) + group(O2s-OsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsOs) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(ROOJ) + radical(Allyl_S)

S(353)

[O]OC1=C[CH]CCCC1

126.15

354.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.77	99.99	32.36	56.12	78.68	92.13
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(ROOJ) + radical(RCCJCC)

S(354)

[O]OC1C=CC[CH]CC1

126.15

355.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.32	96.90	33.80	58.05	79.57	92.33
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(ROOJ) + radical(Cds_S)

S(355)

[O]OC1[C]=CCCCC1

126.15

356.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.32	96.90	33.80	58.05	79.57	92.33
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Cds_S) + radical(ROOJ)

S(356)

[O]OC1C=[C]CCCC1

126.15

357.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
0.43	42.71	45.00	64.68	90.56	100.47
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group (Cs-CsCsOsH) + group(Cs-CsCsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(PolycyclicRing) + radical(CCJCOOH)

S(357)

[CH]1C2CCCCC1OO2

127.16

358.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
0.43	44.09	45.00	64.68	90.56	100.47
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group (Cs-CsCsOsH) + group(Cs-CsCsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(PolycyclicRing) + radical(CCJCOOH)

S(358)

[CH]1CCCCC2OOC12

127.16

359.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
12.42	86.83	30.39	55.92	78.69	92.15
Thermo group additivity estimation: group(O2s-CsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(CC(C)OJ)

S(359)

[O]C1C=CCCCC1

111.16

360.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.84	95.57	31.74	46.53	66.91	76.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(Allyl_P)

C7H9(360)

[CH2]C=CCC=C=C

93.15

361.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.66	99.97	32.79	47.56	69.67	79.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Allyl_P) + radical(Cds_S)

C7H10(361)

[CH2]C=CCC=[C]C

94.15

362.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.66	99.97	32.79	47.56	69.67	79.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Cds_S) + radical(Allyl_P)

C7H10(362)

[CH2]C=CC[C]=CC

94.15

363.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.66	99.97	32.79	47.56	69.67	79.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Allyl_P) + radical(Cds_S)

C7H10(363)

[CH2]C=[C]CC=CC

94.15

364.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.66	99.97	32.79	47.56	69.67	79.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Cds_S) + radical(Allyl_P)

C7H10(364)

[CH2][C]=CCC=CC

94.15

365.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.97	70.26	19.50	28.74	41.29	47.44
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Allyl_P) + radical(Allyl_P)

C4H6(365)

[CH2]C=C[CH2]

54.09

366.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.14	90.48	27.53	44.70	69.91	82.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cs_S) + radical(Isobutyl)

C7H10(366)

[CH2]C1[CH]CC=CC1

94.15

367.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.74	95.95	32.35	47.31	69.57	79.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds)

C7H10(367)

C=C=CCC=CC

94.15

368.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.73	90.96	27.68	40.45	57.85	65.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Allyl_P)

C6H8(368)

[CH]=CCC=C[CH2]

80.13

369.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.28	98.75	29.57	46.05	68.99	79.67
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(RCCJ) + radical(Cs_S)

C7H10(369)

[CH2][CH]C1CC1C=C

94.15

370.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
26.08	66.60	19.16	28.37	40.22	46.39
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH)

C4H6(370)

C=CC=C

54.09

371.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.30	100.78	33.00	48.11	70.05	79.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Cds_S)

C7H10(371)

[CH2]C=[C]CCC=C

94.15

372.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.30	100.78	33.00	48.11	70.05	79.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Cds_S)

C7H10(372)

[CH2][C]=CCCC=C

94.15

373.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.26	100.72	33.68	50.28	76.03	87.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(AllylJ2_triplet)

C7H10(373)

[CH]C=CCC=CC

94.15

374.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.40	96.91	28.59	45.41	69.59	81.83
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Isobutyl)

C7H10(374)

[CH2]C1[CH]CC1C=C

94.15

375.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.38	96.76	32.60	47.86	69.92	79.93
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group (Cds-CdsHH) + group(Cdd-CdsCds)

C7H10(375)

C=C=CCCC=C

94.15

376.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
27.00	85.26	27.49	45.31	69.71	81.17
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene)

C7H10(376)

C=CC1CC=CC1

94.15

377.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.98	87.95	29.19	46.67	70.68	81.87
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cdd-CdsCds) + ring(Cyclobutane)

C7H10(377)

C=C=CC1CCC1

94.15

378.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.81	92.35	30.17	47.73	73.35	85.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Cds_S)

C7H11(378)

C[C]=CC1CCC1

95.16

379.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.81	92.35	30.17	47.73	73.35	85.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Cds_S)

C7H11(379)

CC=[C]C1CCC1

95.16

380.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.21	85.47	28.71	46.93	73.65	86.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_T)

C7H11(380)

CC=C[C]1CCC1

95.16

381.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.71	95.05	29.19	46.65	72.96	85.11
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(381)

CC=CC1[CH]CC1

95.16

382.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.71	95.05	29.19	46.65	72.96	85.11
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(382)

CC=CC1C[CH]C1

95.16

383.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.28	70.61	16.09	26.63	43.38	51.32
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclobutane) + radical(cyclobutane)

C4H7(383)

[CH]1CCC1

55.10

384.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.30	85.09	28.13	46.13	71.09	83.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_P) + radical(Allyl_T)

C7H10(384)

[CH2]C=C[C]1CCC1

94.15

385.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.90	91.97	29.59	46.93	70.78	81.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Cds_S) + radical(Allyl_P)

C7H10(385)

[CH2]C=[C]C1CCC1

94.15

386.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.90	91.97	29.59	46.93	70.78	81.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_P) + radical(Cds_S)

C7H10(386)

[CH2][C]=CC1CCC1

94.15

387.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.18	89.28	27.41	46.57	73.52	86.18
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(cyclopropane)

C7H11(387)

[CH]1CC1C1CCC1

95.16

388.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.88	83.34	25.14	40.58	61.66	71.66
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_P)

C6H9(388)

[CH]=CC1CCC1

81.14

389.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.50	92.72	30.53	49.63	77.15	90.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(AllylJ2_triplet)

C7H10(389)

[CH]C=CC1CCC1

94.15

390.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
42.61	84.20	31.27	47.94	68.15	20.97
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)H) + group (Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(methylenecyclobutane)

C7H10(390)

C=CC=C1CCC1

94.15

391.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.00	95.23	29.93	46.66	72.84	84.91
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Tertalkyl)

C7H11(391)

C=CC[C]1CCC1

95.16

392.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
76.50	93.18	30.43	48.22	73.71	85.62
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_S)

C7H11(392)

C=[C]CC1CCC1

95.16

393.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.40	95.88	29.44	47.14	73.32	85.37
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(393)

C=CCC1[CH]CC1

95.16

394.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.70	92.76	30.60	48.78	74.05	85.87
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_P)

C7H11(394)

[CH]=CCC1CCC1

95.16

395.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.40	95.88	29.44	47.14	73.32	85.37
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(395)

C=CCC1C[CH]C1

95.16

396.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.40	76.40	21.81	35.24	53.68	62.49
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclobutane) + radical(CCJ2_triplet)

C5H8(396)

[CH]C1CCC1

68.12

397.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
39.60	75.20	26.32	43.87	69.76	81.47
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_5_ane) - ring(Cyclopentane) - ring(Cyclobutane) + ring(Cyclopentane) + ring(Cyclobutene)

C7H10(397)

C1CC2CCCC=12

94.15

398.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.93	81.31	26.80	44.01	72.84	85.66
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane- tertiary)

C7H11(398)

C1C[C]2CCC2C1

95.16

399.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.23	80.58	26.31	44.49	73.31	86.11
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-2)

C7H11(399)

[CH]1CCC2CCC12

95.16

400.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.83	79.21	26.31	44.49	73.31	86.11
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-3)

C7H11(400)

[CH]1CC2CCC2C1

95.16

401.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.23	83.72	24.96	41.52	69.14	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-6) + radical(bicyclo[3.2.0]heptane-C5-6)

C7H10(401)

[CH]1[CH]C2CCCC12

94.15

402.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.56	83.58	28.21	46.64	73.62	86.94
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Isobutyl)

C7H11(402)

[CH2]C1C2CCCC12

95.16

403.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.53	76.07	26.84	44.80	71.11	82.80
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(CCJ2_triplet)

C7H10(403)

[C]1CC2CCCC12

94.15

404.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.30	73.92	18.25	30.01	47.97	56.30
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-4)

C5H7(404)

[CH]1CC=CC1

67.11

405.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.30	80.19	25.66	42.60	66.21	77.62
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(Allyl_T)

C7H9(405)

C=C[C]1CC=CC1

93.15

406.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.60	87.07	27.12	43.41	65.89	76.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical (cyclopentene-vinyl)

C7H9(406)

C=CC1C[C]=CC1

93.15

407.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.90	87.07	27.12	43.41	65.89	76.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(Cds_S)

C7H9(407)

C=[C]C1CC=CC1

93.15

408.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.10	86.65	27.30	43.97	66.24	76.64
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(Cds_P)

C7H9(408)

[CH]=CC1CC=CC1

93.15

409.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.99	94.22	28.63	44.18	68.66	79.89
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Tertalkyl) + radical(RCCJ)

C7H10(409)

[CH2]C[C]1CC=CC1

94.15

410.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.19	92.17	29.13	45.73	69.51	80.60
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(RCCJ) + radical (cyclopentene-vinyl)

C7H10(410)

[CH2]CC1C[C]=CC1

94.15

411.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.54	93.20	28.36	44.68	69.01	80.01
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-vinyl) + radical(Cs_S)

C7H10(411)

C[CH]C1C[C]=CC1

94.15

412.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.35	103.98	33.14	48.29	69.48	80.43
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Cds_P)

C7H10(412)

[CH]=CCC([CH2])C=C

94.15

413.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.20	107.21	30.18	47.34	72.38	83.92
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopentene)

C7H10(413)

C[C]C1CC=CC1

94.15

414.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.47	88.40	29.50	46.18	69.94	80.59
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopentene)

C7H10(414)

[CH]CC1CC=CC1

94.15

415.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.24	81.29	23.73	40.87	68.79	80.98
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_5_5_ane) + radical(2-norbornyl) + radical(2-norbornyl)

C7H10(415)

[CH]1CC2[CH]CC1C2

94.15

416.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.21	94.96	35.33	50.87	73.69	85.31
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Isobutyl)

C7H11(416)

[CH2]C1C=C1CCC

95.16

417.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.93	94.72	31.77	47.57	69.96	81.29
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Cds-CdsCtH) + group(Cds-CdsHH) + group(Ct-CtCs) + group(Ct-Ct (Cds-Cds))

C7H10(417)

C=CC#CCCC

94.15

418.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.28	73.98	23.03	33.12	45.77	52.06
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cdd-CdsCds)

C5H6(418)

C=C=CC=C

66.10

419.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
28.60	59.87	11.71	17.02	25.78	31.56
Thermo group additivity estimation: group(Cs-CsHHH) + group(Cs-CsHHH) + radical(CCJ)

C2H5(419)

C[CH2]

29.06

420.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
34.62	79.00	24.96	35.85	52.12	61.21
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH)

C5H8(420)

C#CCCC

68.12

421.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.80	77.91	22.66	32.74	46.65	54.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C) + radical(C=CC=CCJ)

C5H6(421)

[CH2]C=C[C]=C

66.10

422.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.34	91.59	28.35	40.56	57.18	65.26
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(RCCJ) + radical(Cds_S)

C6H8(422)

[CH2]C[C]=CC=C

80.13

423.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
34.89	46.37	9.34	10.62	13.45	15.09
Thermo library: primaryThermoLibrary + radical(CH3)

CH3(423)

[CH3]

15.03

424.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.95	86.23	25.48	35.91	51.99	59.64
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_P)

C5H8(424)

[CH]=[C]CCC

68.12

425.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.11	98.31	34.69	49.30	70.26	80.94
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C) + radical(Cds_S)

C7H10(425)

C=[C]C=[C]CCC

94.15

426.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.20	103.52	32.42	46.96	68.92	82.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Sec_Propargyl) + radical(RCCJ)

C7H10(426)

[CH2][CH]C#CCCC

94.15

427.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.51	98.99	34.41	49.33	69.89	79.58
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_S)

C7H10(427)

[CH]=CC=[C]CCC

94.15

428.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.02	87.29	29.86	47.77	73.50	86.13
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Allyl_T)

C7H11(428)

CCC[C]1C=CC1

95.16

429.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.35	88.18	29.12	42.46	60.88	69.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(Cds_S)

C6H9(429)

C=CC=[C]CC

81.14

430.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
32.90	94.56	33.74	51.00	74.56	86.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)H) + group (Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ)

C7H11(430)

[CH2]C(=CC=C)CC

95.16

431.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
23.67	69.29	17.09	25.05	38.04	44.72
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cs-CsHHH) + radical(RCCJ)

C3H7(431)

[CH2]CC

43.09

432.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
159.51	69.77	18.31	24.94	33.06	37.10
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(CdCdJ2_triplet)

C4H4(432)

[C]=CC=C

52.07

433.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.07	95.42	30.16	47.52	72.79	84.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cs_S)

C7H11(433)

CC[CH]C1C=CC1

95.16

434.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.48	96.76	34.35	50.14	73.01	83.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S)

C7H11(434)

C[C]=CC=CCC

95.16

435.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.28	95.66	34.83	50.64	73.79	85.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C)

C7H11(435)

CC=[C]C=CCC

95.16

436.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.28	95.66	34.83	50.64	73.79	85.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C)

C7H11(436)

CC=C[C]=CCC

95.16

437.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.48	96.76	34.35	50.14	73.01	83.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S)

C7H11(437)

CC=CC=[C]CC

95.16

438.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
33.57	93.11	31.51	48.43	73.18	85.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(C=CCJC=C)

C7H11(438)

CC=C[CH]C=CC

95.16

439.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.99	75.00	20.37	29.58	43.36	50.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P)

C4H7(439)

[CH]=CCC

55.10

440.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.31	97.64	30.18	47.37	72.34	84.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(440)

CCC=CC1[CH]C1

95.16

441.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
26.80	83.14	28.73	47.45	73.87	86.20
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl)

C7H11(441)

CCC1[CH]C=CC1

95.16

442.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.24	85.79	27.75	41.85	61.69	71.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ)

C6H9(442)

[CH2]C=CC=CC

81.14

443.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.55	87.76	29.29	43.03	61.21	70.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(Cds_P)

C6H9(443)

[CH]=CC=CCC

81.14

444.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.68	101.56	33.22	48.95	72.62	83.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(444)

C=CC[C]=CCC

95.16

445.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.68	101.56	33.22	48.95	72.62	83.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(445)

C=[C]CC=CCC

95.16

446.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.68	101.56	33.22	48.95	72.62	83.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(446)

C=CCC=[C]CC

95.16

447.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.88	101.14	33.38	49.53	72.91	83.77
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(447)

[CH]=CCC=CCC

95.16

448.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
45.81	95.54	32.41	48.74	73.22	84.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_S)

C7H11(448)

C=CC[CH]C=CC

95.16

449.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.84	95.41	30.52	47.93	72.72	84.55
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(449)

C=CC1[CH]C1CC

95.16

450.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.61	84.38	25.77	38.63	58.88	68.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(AllylJ2_triplet)

C5H8(450)

[CH]C=CCC

68.12

451.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.73	92.02	30.84	48.73	73.29	86.14
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Isobutyl)

C7H11(451)

[CH2]C1C=CC1CC

95.16

452.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.53	98.20	34.09	50.87	73.33	85.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Isobutyl)

C7H11(452)

[CH2]C(C)C=CC=C

95.16

453.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.76	68.06	17.04	24.28	35.35	41.04
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cs-CsHHH) + radical(CCJ2_triplet)

C3H6(453)

[CH]CC

42.08

454.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
16.14	73.13	28.22	47.79	74.34	85.47
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group (Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclohexane)

C7H10(454)

C=C1C=CCCC1

94.15

455.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
23.35	78.64	27.82	46.83	74.41	87.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Allyl_T)

C7H11(455)

C[C]1C=CCCC1

95.16

456.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.40	86.77	28.11	46.58	73.68	86.10
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cs_S)

C7H11(456)

CC1[CH]CCC=C1

95.16

457.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.95	84.14	29.29	47.63	74.10	86.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S)

C7H11(457)

CC1[C]=CCCC1

95.16

458.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.40	87.23	27.85	45.69	73.23	86.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(RCCJCC)

C7H11(458)

CC1C=CC[CH]C1

95.16

459.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.95	84.14	29.29	47.63	74.10	86.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S)

C7H11(459)

CC1C=[C]CCC1

95.16

460.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
24.70	78.52	28.12	47.41	74.77	87.50
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl)

C7H11(460)

CC1[CH]C=CCC1

95.16

461.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.51	78.96	28.43	46.88	72.20	83.85
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Allyl_P) + radical(cyclohexene-allyl)

C7H10(461)

[CH2]C1=C[CH]CCC1

94.15

462.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.39	90.48	27.53	44.73	69.89	82.28
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cs_S) + radical(Isobutyl)

C7H10(462)

[CH2]C1[CH]CCC=C1

94.15

463.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.39	90.94	27.26	43.85	69.43	82.55
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Isobutyl) + radical(RCCJCC)

C7H10(463)

[CH2]C1C=CC[CH]C1

94.15

464.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.94	87.85	28.70	45.79	70.31	82.75
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(Isobutyl)

C7H10(464)

[CH2]C1[C]=CCCC1

94.15

465.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.94	87.85	28.70	45.79	70.31	82.75
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Isobutyl) + radical(Cds_S)

C7H10(465)

[CH2]C1C=[C]CCC1

94.15

466.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.14	84.51	28.83	46.87	71.51	83.00
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(CCJ2_triplet)

C7H10(466)

[CH]C1C=CCCC1

94.15

467.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.94	79.25	19.86	31.38	47.87	55.84
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C5H7(467)

C=CC1[CH]C1

67.11

468.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.64	85.52	27.28	43.98	66.11	77.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Allyl_T)

C7H9(468)

C=C[C]1CC1C=C

93.15

469.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.24	91.02	28.74	44.78	65.79	75.93
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_S)

C7H9(469)

C=[C]C1CC1C=C

93.15

470.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.44	90.60	28.91	45.34	66.14	76.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P)

C7H9(470)

[CH]=CC1CC1C=C

93.15

471.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.33	99.55	30.25	45.55	68.54	79.43
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl) + radical(RCCJ)

C7H10(471)

[CH2]C[C]1CC1C=C

94.15

472.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.23	90.62	29.27	46.31	69.72	81.38
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Allyl_T) + radical(RCCJ)

C7H10(472)

[CH2]CC1C[C]1C=C

94.15

473.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.58	91.65	28.51	45.25	69.19	80.79
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cs_S) + radical(Allyl_T)

C7H10(473)

C=C[C]1CC1[CH]C

94.15

474.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.18	99.85	28.99	44.97	68.51	79.29
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Cs_S)

C7H10(474)

C=CC1[CH]C1[CH]C

94.15

475.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.83	96.12	30.74	47.11	69.41	80.14
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(RCCJ) + radical(Cds_S)

C7H10(475)

[CH2]CC1CC1[C]=C

94.15

476.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.18	97.15	29.98	46.05	68.90	79.55
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_S) + radical(Cs_S)

C7H10(476)

C=[C]C1CC1[CH]C

94.15

477.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.03	95.70	30.91	47.67	69.75	80.40
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(RCCJ) + radical(Cds_P)

C7H10(477)

[CH]=CC1CC1C[CH2]

94.15

478.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.38	96.73	30.15	46.61	69.23	79.81
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cs_S) + radical(Cds_P)

C7H10(478)

[CH]=CC1CC1[CH]C

94.15

479.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.54	111.16	31.79	48.71	72.27	83.46
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(479)

C=CC1CC1[C]C

94.15

480.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.81	92.35	31.12	47.55	69.83	80.14
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(480)

[CH]CC1CC1C=C

94.15

481.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
44.54	91.15	33.47	48.50	69.95	79.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cdd-CdsCds)

C7H10(481)

CC=C=CC=CC

94.15

482.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.57	100.34	33.27	48.43	72.14	83.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Cds_S)

C7H11(482)

CC=[C]CC=CC

95.16

483.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.57	100.34	33.27	48.43	72.14	83.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Cds_S)

C7H11(483)

C[C]=CCC=CC

95.16

484.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
45.77	98.16	33.08	49.49	73.40	84.46
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Allyl_P)

C7H11(484)

[CH2]C=CCC=CC

95.16

485.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.93	87.34	29.58	43.79	64.29	74.31
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(AllylJ2_triplet)

C6H8(485)

[CH]C=CC=CC

80.13

486.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.46	96.29	31.16	46.52	69.41	80.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(C=CCJC=C) + radical(Cds_S)

C7H10(486)

C[C]=C[CH]C=CC

94.15

487.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.77	91.85	33.29	48.57	70.58	81.63
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Allyl_S) + radical(C=CJC=C)

C7H10(487)

C[CH]C=C[C]=CC

94.15

488.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.90	94.57	30.27	47.39	72.38	84.29
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(488)

CC=CC1[CH]C1C

95.16

489.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.75	65.20	15.26	21.30	30.92	35.84
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P)

C3H5(489)

[CH]=CC

41.07

490.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
85.37	74.58	20.66	30.34	46.45	54.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(AllylJ2_triplet)

C4H6(490)

[CH]C=CC

54.09

491.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.77	91.85	33.29	48.57	70.58	81.63
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C) + radical(Allyl_S)

C7H10(491)

C[CH]C=[C]C=CC

94.15

492.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.08	92.74	29.89	47.62	72.85	84.70
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cs_S)

C7H11(492)

C[CH]C1C=CC1C

95.16

493.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
24.81	79.07	28.46	47.55	73.94	86.48
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl)

C7H11(493)

CC1[CH]C=CC1C

95.16

494.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.31	77.96	24.18	34.74	48.78	55.82
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P)

C5H7(494)

[CH]=CC=CC

67.11

495.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.69	58.64	11.58	16.04	22.98	26.82
Thermo group additivity estimation: group(Cs-CsHHH) + group(Cs-CsHHH) + radical(CCJ2_triplet)

C2H4(495)

[CH]C

28.05

496.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
18.08	79.02	27.90	45.70	70.10	81.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene)

C7H10(496)

CC1C=CC=CC1

94.15

497.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.74	82.13	27.90	40.48	54.62	61.84
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C6H7(497)

[CH]=CC=CC=C

79.12

498.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.67	91.14	32.93	47.62	66.30	75.55
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_S)

C7H9(498)

C=CC=CC=[C]C

93.15

499.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.44	91.79	31.62	46.59	67.26	77.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cdd-CdsCds) + radical(C=CC=CCJ)

C7H9(499)

[CH2]C=CC=C=CC

93.15

500.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.47	90.04	33.41	48.12	67.08	77.15
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H9(500)

C=C[C]=CC=CC

93.15

501.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.47	90.04	33.41	48.12	67.08	77.15
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H9(501)

C=CC=[C]C=CC

93.15

502.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.64	91.90	30.17	45.47	66.71	77.10
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(C=CCJC=C)

C7H9(502)

C=C=C[CH]C=CC

93.15

503.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.87	90.72	33.10	48.19	66.64	75.81
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P)

C7H9(503)

[CH]=CC=CC=CC

93.15

504.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.70	97.35	32.09	46.82	69.47	79.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Allyl_S)

C7H10(504)

C=CC[CH]C=[C]C

94.15

505.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.54	98.95	34.48	49.58	70.32	79.80
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(CsJ2_singlet-(Cds-Cds-Cds-Cds)Cs_6_ring)

C7H10(505)

C=CC=C[C]CC

94.15

506.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.57	118.85	34.53	48.72	71.24	82.03
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH)

C7H10(506)

C=C[C]CC=CC

94.15

507.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.57	118.85	34.53	48.72	71.24	82.03
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH)

C7H10(507)

C=CC[C]C=CC

94.15

508.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.60	98.12	34.23	49.04	70.01	79.54
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsCsH) + group(CsJ2_singlet-(Cds-Cds-Cds-Cds)Cs_6_ring)

C7H10(508)

C[C]C=CC=CC

94.15

509.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.28	96.03	34.23	48.74	69.54	79.08
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(CsJ2_singlet-CsH)

C7H10(509)

[CH]CC=CC=CC

94.15

510.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
49.09	84.89	30.06	46.68	69.81	80.87
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds )(Cds-Cds)CsH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene)

C7H10(510)

C=CC1C=CC1C

94.15

511.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.14	86.74	30.08	46.03	69.42	80.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene)

C7H10(511)

CC=CC1C=CC1

94.15

512.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.91	96.15	33.12	48.04	69.61	80.75
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CtCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Ct-CtCs) + group (Ct-CtH)

C7H10(512)

C#CCCCC=C

94.15

514.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.96	86.44	25.25	37.26	55.52	64.27
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ)

C5H9(514)

[CH2]CCC=C

69.12

513.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.86	48.02	10.59	12.95	15.83	17.73
Thermo group additivity estimation: group(Ct-CtH) + group(Ct-CtH)

C#C(513)

C#C

26.04

515.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.15	101.99	33.90	49.43	72.97	83.75
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(515)

C=[C]CCCC=C

95.16

516.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.41	98.97	33.35	50.03	73.77	84.78
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P)

C7H11(516)

[CH2]C=CCCC=C

95.16

517.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.60	103.70	32.43	47.56	71.97	83.66
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(RCCJCC)

C7H11(517)

C=CC[CH]CC=C

95.16

518.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.89	77.02	19.78	29.03	43.11	50.06
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ)

C4H7(518)

[CH2]CC=C

55.10

519.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
130.71	56.62	9.87	12.25	15.43	17.35
Thermo group additivity estimation: group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_P)

C2H2(519)

[CH]=[CH]

26.04

520.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
131.24	103.38	33.60	48.16	69.42	79.17
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_S)

C7H10(520)

[CH]=CCCC[C]=C

94.15

521.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
131.24	103.38	33.60	48.16	69.42	79.17
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_P)

C7H10(521)

[CH]=[C]CCCC=C

94.15

522.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
148.68	101.97	33.31	47.95	69.56	79.20
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(CdCdJ2_triplet)

C7H10(522)

[C]=CCCCC=C

94.15

523.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.36	95.03	33.77	48.64	70.42	80.27
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + group(Cdd-CdsCds)

C7H10(523)

C=C=C=CCCC

94.15

524.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.17	65.12	17.42	24.67	33.61	37.83
Thermo group additivity estimation: group(Cds-CdsCtH) + group(Cds-CdsHH) + group (Ct-Ct(Cds-Cds)) + group(Ct-CtH)

C4H4(524)

C#CC=C

52.07

525.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.80	77.91	22.66	32.74	46.65	54.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ) + radical(C=CJC=C)

C5H6(525)

[CH2]C=[C]C=C

66.10

526.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.14	90.49	28.82	41.06	57.96	66.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(C=CJC=C) + radical(RCCJ)

C6H8(526)

[CH2]CC=[C]C=C

80.13

527.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.84	70.72	18.24	25.02	33.82	39.03
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(Allyl_P) + radical(C=C=CJ)

C4H4(527)

[CH]=C=C[CH2]

52.07

528.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.30	99.52	32.98	47.50	69.66	81.65
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Propargyl) + radical(Sec_Propargyl)

C7H10(528)

[CH2]C#C[CH]CCC

94.15

529.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.88	99.80	35.17	51.59	76.91	88.63
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + radical(AllylJ2_triplet)

C7H10(529)

[CH]C=C=CCCC

94.15

530.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.94	89.96	31.63	49.05	73.79	85.46
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsCsH) + ring(Methylene_cyclopropane) + radical(Allyl_S)

C7H11(530)

CCCC=C1[CH]C1

95.16

531.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.15	87.08	29.60	42.96	61.66	71.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(C=CJC=C)

C6H9(531)

C=C[C]=CCC

81.14

532.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.39	84.82	25.21	35.71	52.10	59.72
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(CdCdJ2_triplet)

C5H8(532)

[C]=CCCC

68.12

533.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.01	97.84	33.72	49.18	72.83	87.03
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Sec_Propargyl)

C7H11(533)

CC#C[CH]CCC

95.16

534.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.21	98.72	33.20	48.85	72.63	87.00
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Sec_Propargyl)

C7H11(534)

C[CH]C#CCCC

95.16

535.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.64	102.74	33.34	48.31	72.29	83.89
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + radical(RCCJC)

C7H11(535)

C[CH]CC=C=CC

95.16

536.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.29	101.03	34.31	49.74	73.15	83.91
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + radical(RCCJ)

C7H11(536)

[CH2]CCC=C=CC

95.16

537.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.12	92.79	31.33	48.57	73.20	84.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl)

C7H11(537)

CCCC1[C]=CC1

95.16

538.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.59	87.97	29.77	42.42	61.04	71.97
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(Sec_Propargyl)

C6H9(538)

C#C[CH]CCC

81.14

539.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
22.03	82.21	29.40	47.30	70.49	81.63
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group (Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentene)

C7H10(539)

C=CC1=CCCC1

94.15

540.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
8.70	69.41	19.60	32.99	52.18	61.33
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene)

C5H8(540)

C1=CCCC1

68.12

541.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
30.66	84.81	29.25	48.36	75.07	87.29
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(methylenecyclopentane) + radical(Allyl_P)

C7H11(541)

[CH2]C=C1CCCC1

95.16

542.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
44.25	93.77	27.13	44.93	72.11	85.78
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(cyclopentane)

C7H11(542)

C=CC1C[CH]CC1

95.16

543.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.85	90.68	28.57	46.87	72.99	85.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cds_S)

C7H11(543)

C=[C]C1CCCC1

95.16

544.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.05	90.26	28.74	47.43	73.34	86.23
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cds_P)

C7H11(544)

[CH]=CC1CCCC1

95.16

545.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.24	82.82	17.44	28.78	49.91	60.96
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopentane) + radical(cyclopentane) + radical(cyclopentane)

C5H8(545)

[CH]1[CH]CCC1

68.12

546.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.47	99.19	34.54	49.96	73.12	83.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(RCCJ)

C7H11(546)

[CH2]CC(C=C)C=C

95.16

547.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.61	92.40	29.94	48.38	73.80	86.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Isobutyl)

C7H11(547)

[CH2]C1CCC1C=C

95.16

548.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.04	88.87	28.11	46.11	70.41	82.41
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(CCJ2_triplet)

C7H10(548)

C=CC1[C]CCC1

94.15

549.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.10	89.69	31.04	49.57	74.02	85.88
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P)

C7H11(549)

[CH2]C=CC1CC1C

95.16

550.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.61	87.98	29.41	47.79	73.32	86.50
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Isobutyl)

C7H11(550)

[CH2]C1C=CCC1C

95.16

551.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
4.65	63.81	15.45	22.64	34.38	40.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH)

C3H6(551)

C=CC

42.08

552.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.01	73.80	15.75	22.08	33.87	39.68
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cs-CsHHH) + radical(CCJC) + radical(RCCJ)

C3H6(552)

[CH2][CH]C

42.08

553.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
100.40	89.55	24.24	34.42	51.29	59.82
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJC) + radical(Cds_P)

C5H8(553)

[CH]=CC[CH]C

68.12

554.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.41	93.20	29.17	47.25	73.38	85.64
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(554)

C=CC1[CH]CC1C

95.16

555.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
24.70	78.52	28.12	47.41	74.77	87.50
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl)

C7H11(555)

CC1C[CH]C=CC1

95.16

556.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.07	96.11	30.07	47.06	72.56	84.99
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJC)

C7H11(556)

C[CH]CC1C=CC1

95.16

557.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.54	88.55	28.66	41.70	58.28	66.36
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(CCJ2_triplet)

C6H8(557)

[CH]CC=CC=C

80.13

558.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
115.61	95.79	34.12	49.93	70.67	80.57
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C7H10(558)

C=CC=CC[C]C

94.15

559.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.11	85.23	24.41	35.93	52.59	60.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Allyl_P) + radical(RCCJ)

C5H8(559)

[CH2]C=CC[CH2]

68.12

560.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.64	89.57	27.87	41.79	61.31	70.51
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P)

C6H9(560)

[CH2]C=CCC=C

81.14

561.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.87	101.93	32.74	48.20	69.97	79.95
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C7H10(561)

[CH]CC=CCC=C

94.15

562.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.36	78.02	26.87	50.03	70.32	82.94
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(CCJ2_triplet)

C7H10(562)

[C]1CCC=CCC1

94.15

563.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.21	101.16	33.59	48.94	72.58	83.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(563)

C=CCCC=[C]C

95.16

564.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.21	101.16	33.59	48.94	72.58	83.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(564)

C=CCC[C]=CC

95.16

565.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.21	101.16	33.59	48.94	72.58	83.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(565)

C=[C]CCC=CC

95.16

566.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.41	100.74	33.77	49.47	72.99	83.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(566)

[CH]=CCCC=CC

95.16

567.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.83	98.09	30.80	47.82	72.66	84.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(567)

C=CCCC1[CH]C1

95.16

568.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.26	102.59	33.32	49.63	72.93	84.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Isobutyl)

C7H11(568)

[CH2]C(C=C)CC=C

95.16

569.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.28	92.15	28.53	41.78	60.85	69.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group (Cds-CdsHH) + radical(Cds_P)

C6H9(569)

[CH]=CCCC=C

81.14

570.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.05	85.21	25.20	36.49	52.83	60.59
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C5H8(570)

[CH]CCC=C

68.12

571.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.69	94.61	31.29	49.02	73.16	85.76
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Isobutyl)

C7H11(571)

[CH2]C1CC1CC=C

95.16

572.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
25.41	79.98	23.24	34.89	51.84	60.00
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH)

C5H8(572)

C=CCC=C

68.12

573.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.30	91.57	23.66	33.85	51.08	59.62
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJC) + radical(RCCJ)

C5H8(573)

[CH2][CH]CC=C

68.12

574.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.98	75.79	19.73	28.26	40.43	46.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C4H6(574)

[CH]CC=C

54.09

575.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.34	98.80	33.37	48.68	70.34	80.12
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C7H10(575)

C=CC[C]CC=C

94.15

576.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.07	96.16	29.11	45.73	69.14	80.04
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ) + radical(Cs_S)

C7H10(576)

[CH2][CH]C1C=CC1C

94.15

577.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.41	100.55	28.54	44.10	68.36	79.73
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJC) + radical(Cs_S)

C7H10(577)

C[CH][CH]C1C=CC1

94.15

578.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.99	94.20	29.69	46.60	69.81	80.85
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(cyclopropane)

C7H10(578)

[CH2]C=CC1[CH]C1C

94.15

579.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.80	84.17	27.88	45.71	70.16	82.66
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) + radical(Isobutyl)

C7H10(579)

[CH2]C1[CH]C=CC1C

94.15

580.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.89	98.29	29.68	45.55	68.58	80.48
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Isobutyl)

C7H10(580)

[CH2]C1[CH]C1C=CC

94.15

581.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.59	74.71	26.59	45.32	71.61	83.66
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(cyclohexene-allyl)

C7H10(581)

CC1[CH]C=C[CH]C1

94.15

582.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.70	97.35	32.09	46.82	69.47	79.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_S) + radical(Cds_S)

C7H10(582)

C=CC[CH][C]=CC

94.15

583.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.74	95.95	32.35	47.31	69.57	79.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds)

C7H10(583)

C=CCC=C=CC

94.15

584.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.07	96.46	29.30	45.78	69.06	80.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cs_S) + radical(Isobutyl)

C7H10(584)

[CH2]C1C=CC1[CH]C

94.15

585.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.31	83.20	26.41	38.89	55.22	63.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group (Cdd-CdsCds) + radical(C=CC=CCJ)

C6H7(585)

[CH2]C=CC=C=C

79.12

586.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.38	75.37	22.84	31.78	42.31	47.54
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(Cds_P)

C5H5(586)

[CH]=CC=C=C

65.09

587.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.55	94.18	33.00	47.18	66.52	75.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds) + radical(Cds_S)

C7H9(587)

C=C=CC=[C]CC

93.15

588.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.58	60.95	13.76	18.09	24.25	27.47
Thermo group additivity estimation: group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(Propargyl)

C3H3(588)

C#C[CH2]

39.06

589.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.35	93.08	33.52	47.64	67.38	77.15
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds) + radical(C=CJC=C)

C7H9(589)

C=C=C[C]=CCC

93.15

590.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.26	95.06	30.90	45.81	66.59	75.87
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-CtCs) + group (Ct-Ct(Cds-Cds)) + radical(Propargyl)

C7H9(590)

[CH2]C#CC=CCC

93.15

591.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.11	89.12	31.67	46.81	67.32	76.51
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-Ct(Cds-Cds)) + group(Ct-CtH) + radical(Allyl_S)

C7H9(591)

C#CC=C[CH]CC

93.15

592.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.57	103.37	32.79	47.12	68.71	78.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_S)

C7H10(592)

C=[C]C[C]=CCC

94.15

593.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.75	104.87	31.71	45.53	68.11	80.25
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Propargyl) + radical(RCCJCC)

C7H10(593)

[CH2]C#CC[CH]CC

94.15

594.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.57	103.37	32.79	47.12	68.71	78.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_S)

C7H10(594)

C=[C]CC=[C]CC

94.15

595.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.57	106.76	32.69	46.60	68.48	79.31
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJ) + radical(RCCJCC)

C7H10(595)

[CH2]C[CH]CC=C=C

94.15

596.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.17	97.47	34.41	48.82	69.85	80.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S) + radical(C=CJC=C)

C7H10(596)

C[C]=C[C]=CCC

94.15

597.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.00	102.29	33.44	46.91	68.64	81.27
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(Sec_Propargyl) + radical(RCCJCC)

C7H10(597)

C#C[CH]C[CH]CC

94.15

598.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.37	98.57	33.93	48.31	69.10	79.09
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S) + radical(Cds_S)

C7H10(598)

C[C]=CC=[C]CC

94.15

599.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
94.62	95.93	33.34	48.47	70.47	81.41
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(Allyl_S) + radical(C=C=CJ)

C7H10(599)

[CH]=C=C[CH]CCC

94.15

600.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.41	82.57	28.24	40.82	57.82	66.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group (Cdd-CdsCds)

C6H8(600)

C=C=CC=CC

80.13

601.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.61	108.30	28.59	46.05	71.80	84.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopentane)

C7H10(601)

CCC1C=C[C]C1

94.15

602.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
50.61	92.93	33.21	48.89	70.50	80.35
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-Ct(Cds-Cds)) + group(Ct-CtH)

C7H10(602)

C#CC=CCCC

94.15

603.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.66	118.33	35.56	50.10	72.13	82.72
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + group(Cdd-CdsCds)

C7H10(603)

C=C=CC[C]CC

94.15

604.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.66	118.33	35.56	50.10	72.13	82.72
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + group(Cdd-CdsCds)

C7H10(604)

C=C=C[C]CCC

94.15

605.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.74	119.23	34.07	48.79	71.38	82.05
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH)

C7H10(605)

C=C[C]C=CCC

94.15

606.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.45	96.41	33.96	48.70	69.73	79.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsCsH) + group(CsJ2_singlet-CsH)

C7H10(606)

[CH]C=CC=CCC

94.15

607.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
44.12	80.47	31.98	48.67	70.59	81.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclobutene)

C7H10(607)

C=C1C=CC1CC

94.15

608.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
16.55	79.84	28.79	45.93	70.12	81.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene)

C7H10(608)

CC1=CC=CCC1

94.15

609.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
40.01	67.70	42.88	59.76	82.11	92.37
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cdd-CdsCds) + ring(six-inringtwodouble-12)

C7H10(609)

CC1C=C=CCC1

94.15

610.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
25.00	70.90	22.71	37.36	57.65	67.24
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene)

C6H8(610)

C1C=CCCC=1

80.13

611.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
36.20	87.57	28.79	46.04	73.24	85.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Tertalkyl)

C7H11(611)

C[C]1CC=CCC1

95.16

612.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.70	84.14	29.29	47.59	74.12	86.56
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S)

C7H11(612)

CC1C[C]=CCC1

95.16

613.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.15	86.77	28.12	46.54	73.70	86.09
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cs_S)

C7H11(613)

CC1[CH]CC=CC1

95.16

614.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.70	84.14	29.29	47.59	74.12	86.56
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S)

C7H11(614)

CC1CC=[C]CC1

95.16

615.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.76	66.59	21.40	37.02	59.14	69.17
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical (cyclohexene-allyl)

C6H8(615)

[CH]1C=C[CH]CC1

80.13

616.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.24	74.83	26.30	44.75	71.25	83.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Allyl_T)

C7H10(616)

C[C]1C=C[CH]CC1

94.15

617.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.04	82.96	26.59	44.46	70.54	82.25
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cs_S) + radical (cyclohexene-allyl)

C7H10(617)

CC1[CH]C=CC[CH]1

94.15

618.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.59	80.33	27.76	45.51	70.96	82.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical (cyclohexene-allyl)

C7H10(618)

CC1[CH]C=[C]CC1

94.15

619.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.59	80.33	27.76	45.51	70.96	82.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Cds_S)

C7H10(619)

CC1[CH][C]=CCC1

94.15

620.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.76	84.37	27.44	45.51	73.22	85.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane-C3)

C7H11(620)

CC1CCC2[CH]C12

95.16

621.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.20	91.39	28.72	46.62	72.78	84.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Cs_S)

C7H11(621)

C[CH]C1C=CCC1

95.16

622.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.84	80.33	27.76	45.55	70.93	82.73
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical (cyclohexene-allyl)

C7H10(622)

CC1[C]=C[CH]CC1

94.15

623.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.86	87.98	29.41	47.83	73.30	86.51
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Isobutyl)

C7H11(623)

[CH2]C1C=CC(C)C1

95.16

624.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.44	110.26	29.28	41.02	59.26	68.00
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH)

C6H8(624)

C=C[C]CC=C

80.13

625.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.89	90.72	30.37	46.86	69.59	80.35
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Methylene_cyclopropane)

C7H10(625)

C=CCC=C1CC1

94.15

626.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.56	83.58	28.21	46.64	73.62	86.94
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Isobutyl)

C7H11(626)

[CH2]C1CC2CC2C1

95.16

627.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.37	88.47	30.73	47.46	70.00	80.82
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Methylene_cyclopropane)

C7H10(627)

C=CCC1CC1=C

94.15

628.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.09	96.14	31.02	47.40	72.27	84.09
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl)

C7H11(628)

C=CCC1C[C]1C

95.16

629.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.09	96.14	31.02	47.40	72.27	84.09
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl)

C7H11(629)

C=CC[C]1CC1C

95.16

630.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.59	95.41	30.53	47.89	72.74	84.54
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(630)

C=CCC1[CH]C1C

95.16

631.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.59	92.71	31.51	48.96	73.14	84.80
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(631)

C=[C]CC1CC1C

95.16

632.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.79	92.29	31.69	49.53	73.48	85.05
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P)

C7H11(632)

[CH]=CCC1CC1C

95.16

633.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.46	75.23	16.59	25.53	39.04	46.68
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Isobutyl)

C4H6(633)

[CH2]C1[CH]C1

54.09

634.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.08	99.85	30.43	45.56	68.45	80.28
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Isobutyl) + radical(Tertalkyl)

C7H10(634)

[CH2]C1C[C]1CC=C

94.15

635.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.08	99.85	30.43	45.56	68.45	80.28
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl) + radical(Isobutyl)

C7H10(635)

[CH2][C]1CC1CC=C

94.15

636.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.58	99.12	29.94	46.05	68.95	80.73
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Isobutyl)

C7H10(636)

[CH2]C1[CH]C1CC=C

94.15

637.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.39	79.80	22.56	34.96	51.96	62.38
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + ring(Cyclopropane) + radical(Isobutyl) + radical(Isobutyl)

C5H8(637)

[CH2]C1CC1[CH2]

68.12

638.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.09	93.40	30.46	47.73	70.24	82.06
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(Isobutyl)

C7H10(638)

[CH2]C=CC1CC1[CH2]

94.15

639.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.58	96.42	30.93	47.12	69.35	80.98
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_S) + radical(Isobutyl)

C7H10(639)

[CH2]C1CC1C[C]=C

94.15

640.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.78	96.00	31.10	47.68	69.70	81.23
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Isobutyl) + radical(Cds_P)

C7H10(640)

[CH]=CCC1CC1[CH2]

94.15

641.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.76	88.67	25.33	39.58	60.27	70.05
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C6H9(641)

C=CCC1[CH]C1

81.14

642.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
125.78	93.08	31.05	48.20	70.55	81.23
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(CCJ2_triplet)

C7H10(642)

[CH]C1CC1CC=C

94.15

643.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.56	74.66	26.10	44.25	70.17	81.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + polycyclic(s3_4_6_ene_4)

C7H10(643)

C1=C2CCCC1C2

94.15

644.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.87	80.83	26.17	43.69	72.59	85.62
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C1)

C7H11(644)

C1C[C]2CC(C1)C2

95.16

645.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.87	80.10	25.68	44.17	73.08	86.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C2)

C7H11(645)

[CH]1CCC2CC1C2

95.16

646.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.57	78.72	25.68	44.17	73.08	86.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C3)

C7H11(646)

[CH]1CC2CC(C1)C2

95.16

647.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.77	85.34	24.83	40.72	68.43	80.57
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C1) + radical(bicyclo[3.1.1]heptane-C6)

C7H10(647)

[CH]1[C]2CCCC1C2

94.15

648.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.17	83.23	24.33	41.20	68.89	81.03
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C6) + radical(bicyclo[3.1.1]heptane-C6)

C7H10(648)

[CH]1C2[CH]C1CCC2

94.15

649.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.77	84.61	24.33	41.20	68.89	81.03
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C2) + radical(bicyclo[3.1.1]heptane-C6)

C7H10(649)

[CH]1CCC2[CH]C1C2

94.15

650.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.47	74.21	26.21	44.48	70.89	82.76
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(CCJ2_triplet)

C7H10(650)

[C]1C2CCCC1C2

94.15

651.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.34	81.45	28.20	40.42	55.06	63.19
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(C=CJC=C)

C6H7(651)

C=C[C]=CC=C

79.12

652.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.20	72.34	21.54	30.31	42.18	48.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-Ct(Cds-Cds)) + group(Ct-CtH) + radical(CTCC=CCJ)

C5H5(652)

C#CC=C[CH2]

65.09

653.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.89	92.52	30.43	44.97	66.14	77.58
Thermo group additivity estimation: group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-CtCs) + group(Ct-Ct(Cds-Cds)) + radical(CTCC=CCJ)

C7H9(653)

[CH2]C=CC#CCC

93.15

654.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.52	78.55	24.31	34.19	48.68	57.75
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(Sec_Propargyl)

C5H7(654)

C#C[CH]CC

67.11

655.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.83	94.27	31.13	45.91	66.50	77.83
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Cds-CdsCtH) + group(Cds-CdsHH) + group(Ct-CtCs) + group(Ct-Ct (Cds-Cds)) + radical(Sec_Propargyl)

C7H9(655)

C=CC#C[CH]CC

93.15

656.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.75	93.76	33.16	47.76	66.80	75.85
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds) + radical(Cds_P)

C7H9(656)

[CH]=CC=C=CCC

93.15

657.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.20	102.14	32.42	46.96	68.92	82.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(RCCJ) + radical(Sec_Propargyl)

C7H10(657)

[CH2]CC#C[CH]CC

94.15

658.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.77	102.95	33.04	47.62	69.15	78.99
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_P)

C7H10(658)

[CH]=CC[C]=CCC

94.15

659.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.20	102.14	32.42	46.96	68.92	82.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Sec_Propargyl) + radical(RCCJ)

C7H10(659)

[CH2]C[CH]C#CCC

94.15

660.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.55	103.85	31.57	45.48	68.15	82.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(RCCJC) + radical(Sec_Propargyl)

C7H10(660)

C[CH][CH]C#CCC

94.15

661.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.45	103.45	33.21	47.86	69.53	79.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cdd-CdsCds) + radical(RCCJ) + radical(RCCJ)

C7H10(661)

[CH2]CC=C=CC[CH2]

94.15

662.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.41	82.57	28.24	40.82	57.82	66.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group (Cdd-CdsCds)

C6H8(662)

C=CC=C=CC

80.13

663.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.36	108.30	28.59	46.01	71.82	84.37
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopentane)

C7H10(663)

CCC1[C]C=CC1

94.15

664.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
45.99	93.88	31.52	47.04	69.63	81.03
Thermo group additivity estimation: group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-CtCs) + group(Ct-Ct(Cds-Cds))

C7H10(664)

CC=CC#CCC

94.15

665.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.89	117.88	34.92	49.62	71.87	82.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet- CsH) + group(Cdd-CdsCds)

C7H10(665)

C[C]C=C=CCC

94.15

666.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
129.16	99.07	34.24	48.45	69.45	79.23
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + group(CsJ2_singlet-CsH)

C7H10(666)

[CH]CC=C=CCC

94.15

667.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.43	85.81	30.21	47.71	70.15	81.08
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclobutene)

C7H10(667)

CCC=C1C=CC1

94.15

668.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.07	87.48	30.28	47.41	70.11	81.04
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cdd- Cd)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cdd-CdsCds) + ring(Cyclopropane)

C7H10(668)

C=C=CC1CC1C

94.15

669.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.90	91.87	31.26	48.47	72.78	84.55
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(669)

C[C]=CC1CC1C

95.16

670.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.90	91.87	31.26	48.47	72.78	84.55
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(670)

CC=[C]C1CC1C

95.16

671.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.30	86.37	29.79	47.67	73.08	85.78
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_T)

C7H11(671)

CC=C[C]1CC1C

95.16

672.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.40	95.30	30.77	46.91	71.92	83.83
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Tertalkyl)

C7H11(672)

CC=CC1C[C]1C

95.16

673.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.00	93.78	31.03	48.53	72.80	85.51
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Isobutyl)

C7H11(673)

[CH2]C1CC1C=CC

95.16

674.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.16	87.46	24.49	38.29	57.34	66.36
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(cyclopropane)

C6H8(674)

[CH2]C=CC1[CH]C1

80.13

675.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.49	94.93	30.18	46.11	69.31	80.40
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(Tertalkyl)

C7H10(675)

[CH2]C=CC1C[C]1C

94.15

676.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.47	71.52	17.17	27.37	42.82	50.50
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + radical(cyclopropane)

C4H7(676)

CC1[CH]C1

55.10

677.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.39	86.00	29.21	46.87	70.52	82.33
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_T) + radical(Allyl_P)

C7H10(677)

[CH2]C=C[C]1CC1C

94.15

678.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.99	91.50	30.68	47.67	70.21	81.10
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(Cds_S)

C7H10(678)

[CH2]C=[C]C1CC1C

94.15

679.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.99	91.50	30.68	47.67	70.21	81.10
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(Cds_S)

C7H10(679)

[CH2][C]=CC1CC1C

94.15

680.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.27	88.80	28.49	47.31	72.95	85.35
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(680)

CC1CC1C1[CH]C1

95.16

681.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.47	57.91	11.64	15.36	22.28	25.71
Thermo group additivity estimation: group(Cs-CsHHH) + group(CsJ2_singlet-CsH)

C2H4(681)

[CH]C

28.05

682.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.27	82.95	25.84	41.26	61.55	71.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + ring(Cyclopropane) + radical(Allyl_P)

C6H9(682)

[CH2]C=CC1CC1

81.14

683.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
82.97	82.87	26.22	41.33	61.09	70.84
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P)

C6H9(683)

[CH]=CC1CC1C

81.14

684.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.59	92.25	31.61	50.38	76.58	89.33
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(AllylJ2_triplet)

C7H10(684)

[CH]C=CC1CC1C

94.15

685.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.64	85.46	31.49	48.69	70.42	81.24
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Methylene_cyclopropane)

C7H10(685)

C=CC=C1CC1C

94.15

686.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.41	93.20	29.17	47.25	73.38	85.64
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(686)

C=CC1[CH]C(C)C1

95.16

687.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.49	75.93	22.90	35.99	53.11	61.67
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + ring(Cyclopropane) + radical(CCJ2_triplet)

C5H8(687)

[CH]C1CC1C

68.12

688.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
76.93	82.00	28.68	45.62	66.99	77.24
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclobutene) + radical(Allyl_S)

C7H9(688)

C[CH]C=C1C=CC1

93.15

689.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.24	82.93	28.55	43.95	66.25	76.49
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical (cyclobutene-allyl)

C7H9(689)

CC=CC1[CH]C=C1

93.15

690.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
115.11	79.55	24.68	36.99	53.90	61.84
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(Cds_P)

C6H7(690)

[CH]=CC1C=CC1

79.12

691.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.04	88.55	29.73	44.12	65.66	75.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cds_S)

C7H9(691)

CC=[C]C1C=CC1

93.15

692.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.54	88.55	29.73	44.12	65.66	75.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical (cyclobutene-vinyl)

C7H9(692)

CC=CC1[C]=CC1

93.15

693.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.54	88.55	29.73	44.12	65.66	75.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical (cyclobutene-vinyl)

C7H9(693)

CC=CC1C=[C]C1

93.15

694.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.04	88.55	29.73	44.12	65.66	75.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cds_S)

C7H9(694)

C[C]=CC1C=CC1

93.15

695.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.00	89.98	27.36	43.95	69.45	81.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_T) + radical(cyclobutane)

C7H10(695)

CC=C[C]1C[CH]C1

94.15

696.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.50	99.56	27.84	43.67	68.79	80.07
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclobutane)

C7H10(696)

CC=CC1[CH]C[CH]1

94.15

697.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.60	96.86	28.83	44.75	69.17	80.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Cds_S)

C7H10(697)

CC=[C]C1C[CH]C1

94.15

698.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.41	83.59	29.61	46.35	68.40	21.63
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsCsH) + ring(methylenecyclobutane) + radical(Allyl_S) + radical(Allyl_S)

C7H10(698)

C[CH]C=C1[CH]CC1

94.15

699.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.16	91.61	28.63	45.43	69.62	80.58
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-allyl) + radical(Cs_S)

C7H10(699)

CC[CH]C1[CH]C=C1

94.15

700.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.60	96.86	28.83	44.75	69.17	80.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Cds_S)

C7H10(700)

CC=[C]C1[CH]CC1

94.15

701.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.46	97.23	29.80	45.61	69.00	79.64
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cs_S) + radical (cyclobutene-vinyl)

C7H10(701)

CC[CH]C1[C]=CC1

94.15

702.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.60	96.86	28.83	44.75	69.17	80.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Cds_S)

C7H10(702)

C[C]=CC1C[CH]C1

94.15

703.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.46	97.23	29.80	45.61	69.00	79.64
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cs_S) + radical (cyclobutene-vinyl)

C7H10(703)

CC[CH]C1C=[C]C1

94.15

704.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.60	96.86	28.83	44.75	69.17	80.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Cds_S)

C7H10(704)

C[C]=CC1[CH]CC1

94.15

705.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.62	101.43	34.24	48.23	69.02	80.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Cds_P)

C7H10(705)

[CH]=CC([CH2])C=CC

94.15

706.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.90	110.87	31.98	48.18	72.38	83.39
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclobutene)

C7H10(706)

CC[C]C1C=CC1

94.15

707.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.09	110.42	30.82	47.34	72.52	83.87
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclobutane)

C7H10(707)

CC=CC1[C]CC1

94.15

708.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.51	109.42	30.45	47.43	72.52	84.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclobutane)

C7H10(708)

CC=CC1C[C]C1

94.15

709.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.63	84.61	24.76	41.94	68.82	80.73
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s3_4_5_ane) + radical(bicyclo[2.1.1]hexane-C2) + radical(bicyclo[2.1.1]hexane-C5)

C7H10(709)

CC1[CH]C2[CH]C1C2

94.15

710.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.22	88.22	26.25	42.66	69.25	80.82
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary) + radical(bicyclo[2.2.0]hexane-secondary)

C7H10(710)

CC1[CH]C2C[CH]C12

94.15

711.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.45	80.74	29.13	45.56	70.23	81.50
Thermo group additivity estimation: group(Cs-CtCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + ring(cyclohexyne)

C7H10(711)

CC1C#CCCC1

94.15

712.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.76	73.59	22.56	37.20	58.49	68.23
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Cds_S)

C6H8(712)

[C]1=C[CH]CCC1

80.13

713.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.24	80.45	27.46	44.93	70.60	83.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Allyl_T) + radical(Cds_S)

C7H10(713)

C[C]1C=[C]CCC1

94.15

714.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.29	88.58	27.75	44.68	69.88	81.32
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(Cs_S)

C7H10(714)

CC1[CH]CC[C]=C1

94.15

715.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.29	89.04	27.49	43.79	69.43	81.58
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(RCCJCC)

C7H10(715)

CC1C=[C]C[CH]C1

94.15

716.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.84	85.95	28.93	45.73	70.29	81.79
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(Cds_S)

C7H10(716)

CC1[C]=[C]CCC1

94.15

717.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.24	100.56	34.33	50.33	73.61	84.42
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cdd-CdsCds) + radical(RCCJ)

C7H11(717)

[CH2]CC(C)C=C=C

95.16

718.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.11	102.97	34.21	49.01	72.30	85.01
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(RCCJC)

C7H11(718)

C#CCCC[CH]C

95.16

719.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.87	77.40	24.09	39.29	61.65	72.07
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S)

C6H9(719)

[C]1=CCCCC1

81.14

720.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
28.76	80.91	28.29	47.67	74.91	87.42
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsHH) + ring(methylenecyclopentane) + radical(Allyl_S)

C7H11(720)

C=C1[CH]C(C)CC1

95.16

721.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.14	90.49	28.82	41.06	57.96	66.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(RCCJ) + radical(C=CJC=C)

C6H8(721)

[CH2]CC=C[C]=C

80.13

722.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.44	71.99	19.32	27.38	39.96	46.04
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(AllylJ2_triplet)

C4H4(722)

[CH]C=C=C

52.07

723.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.72	87.73	31.97	49.64	74.14	85.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsHH) + ring(Methylene_cyclopropane) + radical(Allyl_S)

C7H11(723)

C=C1[CH]C1CCC

95.16

724.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.15	87.08	29.60	42.96	61.66	71.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(C=CJC=C)

C6H9(724)

C=[C]C=CCC

81.14

725.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.06	84.42	25.84	37.81	55.77	64.40
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P)

C5H9(725)

[CH]=CCCC

69.12

726.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
145.95	55.63	9.39	11.49	15.20	17.12
Thermo group additivity estimation: group(Cds-CdsHH) + group(Cds-CdsHH) + radical(CdCdJ2_triplet)

C2H2(726)

[C]=C

26.04

727.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.58	103.35	33.41	48.42	72.40	83.85
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJCC)

C7H11(727)

C=C=CC[CH]CC

95.16

728.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.41	99.97	33.61	49.19	73.09	85.12
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Propargyl)

C7H11(728)

[CH2]C#CCCCC

95.16

729.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.58	103.58	33.65	48.80	72.68	84.15
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJC)

C7H11(729)

C=C=CCC[CH]C

95.16

730.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.23	101.86	34.61	50.23	73.54	84.17
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJ)

C7H11(730)

[CH2]CCCC=C=C

95.16

731.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.66	97.39	35.27	50.60	73.53	86.14
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(Sec_Propargyl)

C7H11(731)

C#C[CH]CCCC

95.16

732.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.12	92.79	31.33	48.57	73.20	84.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl)

C7H11(732)

CCCC1C=[C]C1

95.16

733.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.24	100.86	34.51	50.39	73.47	85.28
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cdd-CdsCds) + radical(Isobutyl)

C7H11(733)

[CH2]C(C=C=C)CC

95.16

734.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
76.83	77.48	22.51	32.52	47.75	55.25
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsHHH) + group(Cs-CsHHH) + radical(CCJ2_triplet)

C4H8(734)

[CH]CCC

56.11

735.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.37	88.01	29.26	48.44	73.39	86.56
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + ring(Cyclopropane) + radical(Isobutyl)

C7H11(735)

[CH2]C1CC1C1CC1

95.16

736.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
31.04	74.74	21.22	34.36	52.09	60.87
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane)

C5H8(736)

C=CC1CC1

68.12

737.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.33	97.44	31.29	47.33	72.21	83.81
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl)

C7H11(737)

C=CCC[C]1CC1

95.16

738.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.83	95.39	31.78	48.89	73.05	84.52
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(738)

C=[C]CCC1CC1

95.16

739.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.03	94.97	31.95	49.46	73.39	84.78
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P)

C7H11(739)

[CH]=CCCC1CC1

95.16

740.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.98	84.28	21.68	33.74	51.46	59.84
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + radical(RCCJ) + radical(Cs_S)

C5H8(740)

[CH2][CH]C1CC1

68.12

741.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.08	89.28	27.41	46.57	73.52	86.18
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclobutane) + ring(Cyclopropane) + radical(cyclobutane)

C7H11(741)

[CH]1CC(C1)C1CC1

95.16

742.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.94	95.99	31.29	49.06	73.14	85.77
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Isobutyl)

C7H11(742)

[CH2]C(C=C)C1CC1

95.16

743.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.02	93.58	31.32	48.13	70.46	80.96
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(CCJ2_triplet)

C7H10(743)

C=CC[C]C1CC1

94.15

744.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
36.10	76.62	26.55	44.62	70.13	81.82
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds- CdsCsCs) + group(Cds-CdsHH) + polycyclic(s2_3_5_ane)

C7H10(744)

C=C1C2CCCC12

94.15

745.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
50.96	83.73	27.94	45.03	72.74	85.26
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Tertalkyl)

C7H11(745)

C[C]1C2CCCC12

95.16

746.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.06	85.10	27.94	45.03	72.74	85.26
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane- tertiary)

C7H11(746)

CC1[C]2CCCC21

95.16

747.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.06	84.37	27.44	45.51	73.22	85.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane-C5-2)

C7H11(747)

CC1C2[CH]CCC12

95.16

748.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.56	84.37	27.44	45.51	73.22	85.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane-C5-3)

C7H11(748)

CC1C2C[CH]CC12

95.16

749.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.06	88.82	27.35	43.18	68.93	81.45
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane- tertiary) + radical(Isobutyl)

C7H10(749)

[CH2]C1[C]2CCCC21

94.15

750.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.96	87.44	27.35	43.18	68.93	81.45
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Tertalkyl) + radical(Isobutyl)

C7H10(750)

[CH2][C]1C2CCCC12

94.15

751.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.06	88.09	26.86	43.67	69.42	81.90
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Isobutyl) + radical(bicyclo[3.1.0]hexane-C5-2)

C7H10(751)

[CH2]C1C2[CH]CCC12

94.15

752.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.56	88.09	26.86	43.67	69.42	81.90
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Isobutyl) + radical(bicyclo[3.1.0]hexane-C5-3)

C7H10(752)

[CH2]C1C2C[CH]CC12

94.15

753.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.93	76.26	22.25	37.21	60.74	71.23
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane-C3)

C6H9(753)

[CH]1C2CCCC12

81.14

754.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.66	82.05	27.97	45.82	71.02	82.41
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(CCJ2_triplet)

C7H10(754)

[CH]C1C2CCCC12

94.15

755.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.64	79.31	26.87	46.04	73.44	86.98
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s3_4_5_ane) + radical(Isobutyl)

C7H11(755)

[CH2]C1CC2CC1C2

95.16

756.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.07	73.75	14.74	23.66	39.18	46.28
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclobutane)

C4H6(756)

[CH]1C[CH]C1

54.09

757.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.10	82.44	20.70	33.09	52.07	61.99
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Isobutyl)

C5H8(757)

[CH2]C1C[CH]C1

68.12

758.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.69	89.99	29.97	47.46	71.12	82.05
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(CCJ2_triplet)

C7H10(758)

C=CCC1C[C]C1

94.15

759.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.16	98.13	34.23	48.90	69.86	79.51
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(CdJ2_singlet-Cds)

C7H10(759)

[C]=CCC(C)C=C

94.15

760.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.19	80.18	27.10	45.59	72.87	84.96
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s3_4_4_ane) + radical(Cs_S)

C7H11(760)

C[CH]C1C2CC1C2

95.16

761.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.67	87.85	23.79	37.61	57.45	66.63
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_P) + radical(cyclobutane)

C6H8(761)

[CH]=CC1C[CH]C1

80.13

762.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.34	80.10	26.11	44.91	73.02	85.77
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s3_4_5_ane) + radical(bicyclo[2.1.1]hexane-C2)

C7H11(762)

CC1[CH]C2CC1C2

95.16

763.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.58	86.46	23.98	38.95	60.91	71.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane)

C6H9(763)

C=CC1C[CH]C1

81.14

764.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.00	89.16	29.71	46.96	70.76	81.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(CCJ2_triplet)

C7H10(764)

CC=CC1C[C]C1

94.15

765.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.37	72.39	22.73	35.09	54.29	62.26
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Aromatic_pi_S_1_3)

C6H7(765)

[CH]1C=CC=CC1

79.12

766.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
39.92	81.32	28.83	43.66	66.83	76.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Aromatic_pi_S_1_3)

C7H9(766)

CC1=CC=C[CH]C1

93.15

767.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
41.45	80.50	27.93	43.44	66.74	76.76
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Aromatic_pi_S_1_3)

C7H9(767)

CC1[CH]C=CC=C1

93.15

768.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.98	80.83	27.54	43.80	66.29	76.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Cds_S)

C7H9(768)

CC1[C]=CC=CC1

93.15

769.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.98	80.83	27.54	43.80	66.29	76.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Cds_S)

C7H9(769)

CC1C=CC=[C]C1

93.15

770.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.78	79.73	28.02	44.30	67.08	78.55
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(C=CJC=C)

C7H9(770)

CC1C=C[C]=CC1

93.15

771.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.78	79.73	28.02	44.30	67.08	78.55
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(C=CJC=C)

C7H9(771)

CC1C=[C]C=CC1

93.15

772.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.09	82.38	27.26	43.95	70.07	82.02
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Tertalkyl) + radical (cyclohexene-allyl)

C7H10(772)

C[C]1C[CH]C=CC1

94.15

773.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.04	88.58	27.75	44.64	69.90	81.31
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(Cs_S)

C7H10(773)

CC1[CH]C[C]=CC1

94.15

774.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.69	82.23	27.54	45.56	70.98	83.68
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Isobutyl)

C7H10(774)

[CH2]C1C[CH]C=CC1

94.15

775.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.04	88.58	27.75	44.64	69.90	81.31
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(Cs_S)

C7H10(775)

CC1[CH]CC=[C]C1

94.15

776.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.29	89.04	27.49	43.79	69.43	81.58
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(RCCJCC) + radical(Cds_S)

C7H10(776)

CC1[C]=CC[CH]C1

94.15

777.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.69	83.54	26.02	42.99	69.72	82.82
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(RCCJCC) + radical(Allyl_T)

C7H10(777)

C[C]1C=CC[CH]C1

94.15

778.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.59	80.33	27.76	45.51	70.96	82.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Cds_S)

C7H10(778)

CC1C[C]=C[CH]C1

94.15

779.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.59	78.95	27.76	45.51	70.96	82.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Cds_S)

C7H10(779)

CC1C[CH][C]=CC1

94.15

780.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.74	91.67	26.32	42.74	69.02	81.11
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cs_S) + radical(RCCJCC)

C7H10(780)

CC1[CH][CH]CC=C1

94.15

781.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
82.54	92.01	27.26	43.08	69.05	80.60
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cs_S) + radical(Tertalkyl)

C7H10(781)

C[C]1[CH]CC=CC1

94.15

782.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
131.45	101.65	33.54	48.78	69.85	79.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_P)

C7H10(782)

[CH]=CCC(C)C=[CH]

94.15

783.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.62	99.59	33.90	49.53	69.87	80.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P) + radical(Isobutyl)

C7H10(783)

[CH]=CC=CC([CH2])C

94.15

784.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.14	99.13	29.37	47.78	76.23	87.61
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclohexane)

C7H10(784)

CC1[C]CC=CC1

94.15

785.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.39	99.13	29.36	47.82	76.20	87.62
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclohexane)

C7H10(785)

CC1C=CC[C]C1

94.15

786.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.39	99.13	29.36	47.82	76.20	87.62
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclohexane)

C7H10(786)

CC1C=C[C]CC1

94.15

787.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.14	99.13	29.37	47.78	76.23	87.61
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclohexane)

C7H10(787)

CC1C[C]C=CC1

94.15

788.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
22.83	77.71	27.73	44.93	69.84	81.37
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_4_4_ene_1)

C7H10(788)

CC1CC2C=CC12

94.15

789.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.82	87.17	30.16	48.38	73.84	85.84
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-allyl)

C7H11(789)

CCCC1[CH]C=C1

95.16

790.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.65	84.98	25.45	40.34	60.92	70.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + ring(Cyclobutene) + radical(RCCJ)

C6H9(790)

[CH2]CC1C=CC1

81.14

791.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.81	93.17	30.87	47.80	70.61	81.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(CCJ2_triplet)

C7H10(791)

[CH]CCC1C=CC1

94.15

792.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.11	102.74	34.03	48.61	72.01	84.75
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(RCCJCC)

C7H11(792)

C#CC[CH]CCC

95.16

793.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.11	102.74	34.03	48.61	72.01	84.75
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(RCCJCC)

C7H11(793)

C#CCC[CH]CC

95.16

794.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.36	99.95	35.26	50.19	72.98	85.69
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(Acetyl)

C7H11(794)

[C]#CCCCCC

95.16

795.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.76	101.25	35.11	50.43	73.22	84.96
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(RCCJ)

C7H11(795)

C#CCCCC[CH2]

95.16

796.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.51	81.96	23.58	32.20	45.08	53.04
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(Sec_Propargyl) + radical(RCCJ)

C5H6(796)

C#C[CH]C[CH2]

66.10

797.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.58	91.38	29.00	40.53	57.33	67.31
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(RCCJ) + radical(Sec_Propargyl)

C6H8(797)

C#C[CH]CC[CH2]

80.13

798.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.00	102.52	33.60	47.29	68.90	81.54
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(RCCJC) + radical(Sec_Propargyl)

C7H10(798)

C#C[CH]CC[CH]C

94.15

799.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.65	100.80	34.47	48.75	69.74	81.51
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(Sec_Propargyl) + radical(RCCJ)

C7H10(799)

C#C[CH]CCC[CH2]

94.15

800.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
140.25	99.50	34.63	48.49	69.57	82.21
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(Acetyl) + radical(Sec_Propargyl)

C7H10(800)

[C]#C[CH]CCCC

94.15

801.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.16	94.53	35.19	50.55	73.36	84.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(cyclopropenyl-vinyl)

C7H11(801)

CCCCC1[C]=C1

95.16

802.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.50	100.25	35.03	50.54	73.17	86.10
Thermo group additivity estimation: group(Cs-CtCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(Isobutyl)

C7H11(802)

C#CC([CH2])CCC

95.16

804.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.51	62.42	13.23	16.38	20.99	24.81
Thermo group additivity estimation: group(Cds-CdsHH) + group(Cds-CdsHH) + group (Cdd-CdsCds) + radical(C=C=CJ) + radical(C=C=CJ)

C3H2(804)

[CH]=C=[CH]

38.05

803.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
18.74	78.71	22.56	33.29	50.44	58.93
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsHHH) + group(Cs-CsHHH) + radical(RCCJ)

C4H9(803)

[CH2]CCC

57.11

806.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.90	86.90	27.99	40.74	60.18	69.45
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + radical(CCJ2_triplet)

C5H10(806)

[CH]CCCC

70.13

805.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
134.46	51.51	10.00	10.76	11.99	13.74
Thermo group additivity estimation: group(Ct-CtH) + group(Ct-CtH) + radical(Acetyl)

C2H(805)

[C]#C

25.03

807.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.02	101.55	34.45	48.75	69.67	80.51
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(Cds_S) + radical(C=C=CJ)

C7H10(807)

[CH]=C=[C]CCCC

94.15

808.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
31.54	87.99	34.17	50.40	70.54	80.65
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds- Cds)Cs) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH)

C7H10(808)

C=CC=CC(=C)C

94.15

809.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
39.92	81.32	28.83	43.66	66.83	76.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Aromatic_pi_S_1_3)

C7H9(809)

CC1[CH]CC=CC=1

93.15

810.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.90	74.09	22.35	35.46	53.84	62.46
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Cds_S)

C6H7(810)

[C]1=CC=CCC1

79.12

811.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.95	74.73	24.70	44.20	70.86	82.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclohexane) + radical(C=CCJC=C)

C7H9(811)

C=C1[CH]C=CCC1

93.15

812.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.45	81.65	28.43	44.03	66.32	76.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Cds_S)

C7H9(812)

CC1=CC=[C]CC1

93.15

813.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.25	80.55	28.91	44.53	67.11	78.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(C=CJC=C)

C7H9(813)

CC1=[C]C=CCC1

93.15

814.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.25	80.55	28.91	44.53	67.11	78.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(C=CJC=C)

C7H9(814)

CC1=C[C]=CCC1

93.15

815.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.76	89.86	28.39	44.02	69.51	81.35
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(RCCJCC)

C7H10(815)

CC1=[C]C[CH]CC1

94.15

816.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.09	89.38	28.44	44.13	69.47	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(Tertalkyl)

C7H10(816)

C[C]1C[C]=CCC1

94.15

817.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.31	75.53	27.48	45.59	71.61	83.45
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical (cyclohexene-allyl) + radical(cyclohexene-allyl)

C7H10(817)

CC1[CH]CC[CH]C=1

94.15

818.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.09	89.38	28.44	44.13	69.47	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Tertalkyl) + radical(Cds_S)

C7H10(818)

C[C]1CC=[C]CC1

94.15

819.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.76	82.86	27.21	43.84	70.11	82.31
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(RCCJCC) + radical(cyclohexene-allyl)

C7H10(819)

CC1[CH]C[CH]CC=1

94.15

820.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.47	82.96	27.23	45.27	71.89	82.14
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsCs) + group(Cds-CdsHH) + ring(Cyclohexanone) + radical(Allyl_S) + radical(cyclohexane)

C7H10(820)

C=C1[CH]C[CH]CC1

94.15

821.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.24	80.45	27.46	44.93	70.60	83.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Allyl_T) + radical(Cds_S)

C7H10(821)

C[C]1[C]=CCCC1

94.15

822.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
16.90	79.53	28.79	45.93	70.12	81.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene)

C7H10(822)

CC1C=CCCC=1

94.15

823.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
129.92	101.10	34.40	49.05	69.86	79.48
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_P)

C7H10(823)

[CH]=CCCC(=[CH])C

94.15

824.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.09	98.73	34.62	49.68	70.05	79.78
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)H) + group (Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(RCCJ) + radical(Cds_P)

C7H10(824)

[CH]=CC=C(C)C[CH2]

94.15

825.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.68	93.98	32.01	48.49	71.58	83.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) + radical(C=CC=CCJ)

C7H10(825)

[CH2]C=CC=C([CH2])C

94.15

826.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
91.86	99.95	30.26	48.05	76.29	87.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclohexane)

C7H10(826)

CC1=CC[C]CC1

94.15

827.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.14	99.13	29.37	47.78	76.23	87.61
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclohexane)

C7H10(827)

CC1[C]C=CCC1

94.15

828.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
91.86	99.95	30.26	48.05	76.29	87.39
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclohexane)

C7H10(828)

CC1=C[C]CCC1

94.15

829.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
22.96	76.17	28.53	46.13	70.88	81.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_4_4_ene_1)

C7H10(829)

CC12C=CC1CC2

94.15

830.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.45	69.13	18.85	25.94	36.34	43.52
Thermo group additivity estimation: group(Cs-CtCsHH) + group(Cs-CsHHH) + group (Ct-CtCs) + group(Ct-CtH) + radical(Sec_Propargyl)

C4H5(830)

C#C[CH]C

53.08

831.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.93	93.10	28.15	39.07	56.56	67.32
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(Sec_Propargyl) + radical(RCCJC)

C6H8(831)

C#C[CH]C[CH]C

80.13

832.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.55	103.85	31.57	45.48	68.15	82.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(RCCJC) + radical(Sec_Propargyl)

C7H10(832)

C[CH]C#CC[CH]C

94.15

833.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.35	102.97	32.10	45.84	68.35	82.39
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(RCCJC) + radical(Sec_Propargyl)

C7H10(833)

CC#C[CH]C[CH]C

94.15

834.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.76	84.33	31.19	48.53	71.51	25.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(methylenecyclobutane) + radical(Allyl_S)

C7H11(834)

CC=C1[CH]CC1C

95.16

835.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.21	86.07	29.63	47.74	73.29	85.54
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-vinyl)

C7H11(835)

CC1[C]=CCC1C

95.16

836.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.51	94.16	28.24	40.53	60.33	69.97
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJC)

C6H9(836)

C=C=CC[CH]C

81.14

837.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.30	100.02	34.31	49.80	73.24	85.00
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cdd-CdsCds) + radical(Isobutyl)

C7H11(837)

[CH2]C(C)C=C=CC

95.16

838.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.91	77.28	24.49	34.68	49.22	57.17
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C5H7(838)

C=C[C]=CC

67.11

839.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
133.31	90.38	28.81	40.71	58.09	65.99
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cdd- CdsCds) + radical(CCJ2_triplet)

C6H8(839)

[CH]CC=C=CC

80.13

840.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.38	97.61	34.24	48.99	70.42	80.21
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + radical(CCJ2_triplet)

C7H10(840)

C[C]CC=C=CC

94.15

841.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
19.32	84.45	28.71	45.76	69.93	81.32
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + ring(3-Methylenecyclopentene)

C7H10(841)

CC=C1C=CCC1

94.15

842.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.16	98.13	34.23	48.90	69.86	79.51
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(CdJ2_singlet-Cds)

C7H10(842)

[C]=CC(C)CC=C

94.15

843.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
29.79	93.34	33.84	50.42	74.18	86.13
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ)

C7H11(843)

[CH2]C=CC=C(C)C

95.16

844.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.43	94.91	34.31	50.80	73.33	84.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(844)

C=CC=[C]C(C)C

95.16

845.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.23	93.81	34.79	51.30	74.11	86.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H11(845)

C=C[C]=CC(C)C

95.16

846.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.23	93.81	34.79	51.30	74.11	86.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H11(846)

C=[C]C=CC(C)C

95.16

847.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.63	94.49	34.48	51.37	73.66	84.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(847)

[CH]=CC=CC(C)C

95.16

848.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.42	100.01	33.72	48.97	69.52	80.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Cds_S)

C7H10(848)

[CH2]C(C)[C]=CC=C

94.15

849.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.06	86.83	24.98	36.09	52.01	60.88
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Cds_P)

C5H8(849)

[CH]=CC([CH2])C

68.12

850.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.22	98.91	34.20	49.47	70.31	82.20
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Isobutyl) + radical(C=CJC=C)

C7H10(850)

[CH2]C(C)C=[C]C=C

94.15

851.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.22	98.91	34.20	49.47	70.31	82.20
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Isobutyl) + radical(C=CJC=C)

C7H10(851)

[CH2]C(C)C=C[C]=C

94.15

852.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
29.79	93.34	33.84	50.42	74.18	86.13
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ)

C7H11(852)

[CH2]C(C)=CC=CC

95.16

853.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.48	93.39	30.84	48.69	73.32	86.13
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Isobutyl)

C7H11(853)

[CH2]C(C)C1C=CC1

95.16

854.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.62	96.66	33.85	50.04	70.73	80.85
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C7H10(854)

[CH]C(C)C=CC=C

94.15

855.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.11	74.35	23.34	36.25	54.20	62.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(cyclobutene-allyl)

C6H7(855)

C=CC1[CH]C=C1

79.12

856.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.39	81.20	28.24	43.98	66.31	77.32
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds )(Cds-Cds)CsH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(Allyl_T)

C7H9(856)

C=CC1C=C[C]1C

93.15

857.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.68	68.33	19.24	31.91	49.10	57.40
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-allyl)

C5H7(857)

CC1[CH]C=C1

67.11

858.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.08	81.64	29.90	46.20	67.67	78.62
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclobutene) + radical(C=CC=CCJ)

C7H9(858)

[CH2]C=C1C=CC1C

93.15

859.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.09	88.61	29.48	44.83	66.02	77.05
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds )(Cds-Cds)CsH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(Isobutyl)

C7H9(859)

[CH2]C1C=CC1C=C

93.15

860.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.49	86.70	29.70	44.77	66.02	76.08
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds )(Cds-Cds)CsH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(cyclobutene-vinyl)

C7H9(860)

C=CC1C=[C]C1C

93.15

861.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.49	86.70	29.70	44.77	66.02	76.08
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds )(Cds-Cds)CsH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(cyclobutene-vinyl)

C7H9(861)

C=CC1[C]=CC1C

93.15

862.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.99	86.70	29.70	44.77	66.02	76.08
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds )(Cds-Cds)CsH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(Cds_S)

C7H9(862)

C=[C]C1C=CC1C

93.15

863.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.19	86.28	29.88	45.34	66.35	76.34
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds )(Cds-Cds)CsH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(Cds_P)

C7H9(863)

[CH]=CC1C=CC1C

93.15

864.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.80	98.44	28.32	43.79	68.73	80.15
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Tertalkyl)

C7H10(864)

C=CC1[CH]C[C]1C

94.15

865.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.70	89.51	27.34	44.55	69.88	82.10
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Allyl_T) + radical(cyclobutane)

C7H10(865)

C=C[C]1C[CH]C1C

94.15

866.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.02	88.03	28.82	45.98	69.87	81.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ) + radical(Allyl_T)

C7H10(866)

[CH2]C[C]1C=CC1C

94.15

867.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.85	83.96	30.67	47.65	69.08	22.12
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(methylenecyclobutane) + radical(Allyl_P) + radical(Allyl_S)

C7H10(867)

[CH2]C=C1[CH]CC1C

94.15

868.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.40	96.91	28.59	45.41	69.59	81.83
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Isobutyl) + radical(cyclobutane)

C7H10(868)

[CH2]C1C[CH]C1C=C

94.15

869.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.80	98.44	28.32	43.79	68.73	80.15
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Tertalkyl)

C7H10(869)

C=CC1C[CH][C]1C

94.15

870.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.02	88.03	28.82	45.98	69.87	81.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ) + radical(Allyl_T)

C7H10(870)

[CH2]CC1C=C[C]1C

94.15

871.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.12	93.53	30.29	46.78	69.56	80.51
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl) + radical(RCCJ)

C7H10(871)

[CH2]CC1[C]=CC1C

94.15

872.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.30	95.01	28.81	45.35	69.58	80.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_S) + radical(cyclobutane)

C7H10(872)

C=[C]C1C[CH]C1C

94.15

873.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.37	89.05	28.06	44.92	69.35	81.15
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Allyl_T) + radical(Cs_S)

C7H10(873)

C[CH]C1C=C[C]1C

94.15

874.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
125.47	94.55	29.52	45.72	69.05	79.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl) + radical(Cs_S)

C7H10(874)

C[CH]C1[C]=CC1C

94.15

875.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.30	95.01	28.81	45.35	69.58	80.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Cds_S)

C7H10(875)

C=[C]C1[CH]CC1C

94.15

876.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.12	93.53	30.29	46.78	69.56	80.51
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ) + radical (cyclobutene-vinyl)

C7H10(876)

[CH2]CC1C=[C]C1C

94.15

877.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.50	94.59	28.98	45.91	69.92	81.12
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Cds_P)

C7H10(877)

[CH]=CC1C[CH]C1C

94.15

878.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
125.47	94.55	29.52	45.72	69.05	79.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl) + radical(Cs_S)

C7H10(878)

C[CH]C1C=[C]C1C

94.15

879.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.50	94.59	28.98	45.91	69.92	81.12
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_P) + radical(cyclobutane)

C7H10(879)

[CH]=CC1[CH]CC1C

94.15

880.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.72	97.33	34.31	49.16	70.48	80.31
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Cds_P)

C7H10(880)

[CH]=CC(C)C=C[CH2]

94.15

881.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.91	102.98	33.49	47.70	68.91	78.83
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cs_S)

C7H10(881)

[CH]=CC([CH]C)C=C

94.15

882.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.21	108.95	30.44	48.04	72.94	84.56
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclobutane)

C7H10(882)

C=CC1C[C]C1C

94.15

883.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.79	108.57	30.80	47.95	72.91	84.41
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclobutane)

C7H10(883)

C=CC1[C]CC1C

94.15

884.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.91	108.19	31.70	48.29	72.41	83.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclobutene)

C7H10(884)

C[C]C1C=CC1C

94.15

885.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.60	89.76	30.66	47.22	69.98	80.51
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclobutene)

C7H10(885)

[CH]CC1C=CC1C

94.15

886.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.63	84.61	24.76	41.94	68.82	80.73
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s3_4_5_ane) + radical(bicyclo[2.1.1]hexane-C5) + radical(bicyclo[2.1.1]hexane-C2)

C7H10(886)

CC1C2[CH]CC1[CH]2

94.15

887.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.60	91.69	28.82	45.95	69.54	82.68
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Isobutyl) + radical(Isobutyl)

C7H10(887)

[CH2]C1C=CCC1[CH2]

94.15

888.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.44	88.62	32.34	48.46	67.97	78.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds- Cds)Cs) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(C=CC=CCJ)

C7H9(888)

[CH2]C(C=C)=CC=C

93.15

889.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.60	97.45	33.10	46.57	66.09	76.23
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- CdsHH) + group(Cdd-CdsCds) + radical(Isobutyl)

C7H9(889)

[CH2]C(C=C)C=C=C

93.15

890.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.03	93.67	32.01	48.49	71.58	83.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) + radical(C=CC=CCJ)

C7H10(890)

[CH2]C=CC(C)=C[CH2]

94.15

891.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.42	101.85	34.08	47.69	68.63	79.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Cds_S)

C7H10(891)

[CH2]C(C=C)C=[C]C

94.15

892.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.52	97.75	34.07	48.67	70.02	80.07
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Allyl_P)

C7H10(892)

[CH2]C=[C]C(C)C=C

94.15

893.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.52	97.75	34.07	48.67	70.02	80.07
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Cds_S)

C7H10(893)

[CH2]C=CC(C)[C]=C

94.15

894.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.42	101.85	34.08	47.69	68.63	79.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Isobutyl)

C7H10(894)

[CH2]C([C]=CC)C=C

94.15

895.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.52	97.75	34.07	48.67	70.02	80.07
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Cds_S)

C7H10(895)

[CH2][C]=CC(C)C=C

94.15

896.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.23	92.66	33.26	49.63	71.60	82.69
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) + radical(Allyl_P)

C7H10(896)

[CH2]C=C([CH2])C=CC

94.15

897.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.42	101.85	34.08	47.69	68.63	79.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Isobutyl)

C7H10(897)

[CH2]C([C]=C)C=CC

94.15

898.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.83	100.50	29.94	46.08	68.92	80.73
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Isobutyl)

C7H10(898)

[CH2]C(C=C)C1[CH]C1

94.15

899.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.40	96.91	28.59	45.41	69.59	81.83
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Isobutyl) + radical(cyclobutane)

C7H10(899)

[CH2]C1[CH]C(C=C)C1

94.15

900.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
36.07	88.51	31.29	47.10	69.87	80.85
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds- Cds)(Cds-Cds)) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH)

C7H10(900)

C=CC(=C)C=CC

94.15

901.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.60	93.73	33.70	48.38	69.99	80.00
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- CdsHH) + group(Cdd-CdsCds)

C7H10(901)

C=C=CC(C)C=C

94.15

902.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.49	92.84	29.06	40.45	57.10	66.01
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- CdsHH) + radical(Isobutyl) + radical(Cds_P)

C6H8(902)

[CH]=CC([CH2])C=C

80.13

903.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.69	95.64	30.44	47.28	69.47	82.22
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Isobutyl) + radical(Isobutyl)

C7H10(903)

[CH2]C1C([CH2])C1C=C

94.15

904.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.28	96.75	33.37	49.57	71.23	81.34
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Allyl_P)

C7H10(904)

[CH2]C=C([CH2])CC=C

94.15

905.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.15	104.40	32.97	47.71	69.18	80.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Cds_S)

C7H10(905)

[CH2]C(C=C)C[C]=C

94.15

906.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.15	104.40	32.97	47.71	69.18	80.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Isobutyl)

C7H10(906)

[CH2]C([C]=C)CC=C

94.15

907.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.12	98.50	35.08	51.32	76.50	88.34
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(AllylJ2_triplet)

C7H10(907)

[CH]C=CC(C)C=C

94.15

908.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.74	92.78	33.04	49.20	70.13	80.30
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH)

C7H10(908)

C=CCC(=C)C=C

94.15

909.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
31.54	87.99	34.17	50.40	70.54	80.65
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds- Cds)Cs) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH)

C7H10(909)

C=CC=C(C)C=C

94.15

910.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.81	103.63	32.90	47.12	68.73	78.66
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cs_S) + radical(RCCJ)

C7H10(910)

[CH2][CH]C(C=C)C=C

94.15

911.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.61	92.40	29.94	48.38	73.80	86.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Isobutyl)

C7H11(911)

[CH2]C1CC(C=C)C1

95.16

912.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
44.56	93.81	32.08	48.77	73.23	85.22
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Allyl_T)

C7H11(912)

C=CC[C](C)C=C

95.16

913.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
46.63	95.94	34.52	50.48	73.99	84.82
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P)

C7H11(913)

[CH2]C=CC(C)C=C

95.16

914.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.16	100.68	33.56	49.56	72.99	83.97
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(914)

C=[C]C(C)CC=C

95.16

915.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.16	100.68	33.56	49.56	72.99	83.97
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(915)

C=[C]CC(C)C=C

95.16

916.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.36	100.26	33.72	50.13	73.29	84.24
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(916)

[CH]=CC(C)CC=C

95.16

917.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.36	100.26	33.72	50.13	73.29	84.24
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(917)

[CH]=CCC(C)C=C

95.16

918.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.96	87.78	24.58	35.59	51.69	61.59
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Isobutyl)

C5H8(918)

[CH2]C([CH2])C=C

68.12

919.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.35	101.06	33.09	48.80	70.35	80.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C7H10(919)

[CH]C(C=C)CC=C

94.15

920.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.06	90.42	31.09	48.57	73.94	84.53
Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_3_ane) + radical(bicyclo[1.1.0]butane- secondary)

C7H11(920)

CCCC12[CH]C1C2

95.16

921.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.09	91.31	30.80	46.84	72.53	84.04
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_3_ane) + radical(Tertalkyl)

C7H11(921)

CCC[C]1C2CC12

95.16

922.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.39	95.84	35.63	52.13	74.05	84.71
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(922)

[CH]=C(C=C)CCC

95.16

923.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
82.95	89.68	33.08	48.84	70.25	80.45
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-Cds(Cds-Cds)(Cds-Cds)) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(methylenecyclopropene)

C7H10(923)

C=C1C=C1CCC

94.15

924.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.34	87.17	34.42	50.00	73.89	85.47
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Allyl_T)

C7H11(924)

CCC[C]1C=C1C

95.16

925.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.81	93.05	35.47	50.91	73.55	84.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(cyclopropenyl- vinyl)

C7H11(925)

CCCC1=[C]C1C

95.16

926.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.95	87.27	31.36	49.16	73.86	85.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Methylene_cyclopropane) + radical(Allyl_S)

C7H11(926)

CCC=C1[CH]C1C

95.16

927.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.56	96.37	34.20	49.41	72.89	84.48
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(RCCJC)

C7H11(927)

C[CH]CC1=CC1C

95.16

928.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.21	94.66	35.15	50.83	73.78	84.48
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(RCCJ)

C7H11(928)

[CH2]CCC1=CC1C

95.16

929.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.01	84.04	30.14	46.94	70.64	82.31
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsHH) + ring(Methylene_cyclopropane) + radical(Allyl_T) + radical(Allyl_S)

C7H10(929)

C=C1[CH][C]1CCC

94.15

930.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.57	72.60	20.46	31.32	45.63	53.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsHH) + ring(Methylene_cyclopropane) + radical(Isobutyl) + radical(Allyl_S)

C5H6(930)

[CH2]C1[CH]C1=C

66.10

931.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
146.13	88.95	29.08	40.74	57.57	66.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group (Cds-CdsCsH) + ring(Cyclopropene) + radical(RCCJ) + radical(Isobutyl)

C6H8(931)

[CH2]CC1=CC1[CH2]

80.13

932.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
138.55	100.09	33.63	47.59	68.99	80.72
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(RCCJC) + radical(Isobutyl)

C7H10(932)

[CH2]C1C=C1C[CH]C

94.15

933.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
164.94	69.99	18.27	23.93	32.46	37.73
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Isobutyl) + radical(cyclopropenyl-vinyl)

C4H4(933)

[CH2]C1[C]=C1

52.07

934.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.94	90.99	30.77	47.31	70.07	81.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Methylene_cyclopropane) + radical(Allyl_S) + radical(Isobutyl)

C7H10(934)

[CH2]C1[CH]C1=CCC

94.15

935.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
141.20	98.37	34.52	49.02	69.89	80.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Isobutyl) + radical(RCCJ)

C7H10(935)

[CH2]CCC1=CC1[CH2]

94.15

936.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
146.80	96.77	34.89	49.09	69.66	80.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Isobutyl) + radical(cyclopropenyl-vinyl)

C7H10(936)

[CH2]C1[C]=C1CCC

94.15

937.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.14	85.54	29.84	42.66	61.21	71.13
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group (Cds-CdsCsH) + ring(Cyclopropene) + radical(Isobutyl)

C6H9(937)

[CH2]C1C=C1CC

81.14

938.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.46	87.00	30.70	48.66	73.93	85.76
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-allyl)

C7H11(938)

CCCC1[CH]CC=1

95.16

939.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
82.79	78.24	28.34	41.42	61.38	71.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + ring(Cyclopropene) + radical(Allyl_T)

C6H9(939)

CCC[C]1C=C1

81.14

940.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
150.30	93.42	35.07	50.07	71.06	80.79
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(CCJ2_triplet)

C7H10(940)

[CH]C1C=C1CCC

94.15

941.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
19.29	82.66	29.27	45.97	70.39	81.84
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cyclohexadiene)

C7H10(941)

CC1C=CCC=C1

94.15

942.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.29	88.58	27.75	44.68	69.88	81.32
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(Cs_S)

C7H10(942)

CC1[C]=CCC[CH]1

94.15

943.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.73	83.71	27.60	45.63	73.43	85.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary)

C7H11(943)

CC1[CH]C2CCC12

95.16

944.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
45.32	80.49	22.65	37.35	60.78	71.87
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(Cyclohexene) + radical(RCCJCC)

C6H9(944)

[CH]1CC=CCC1

81.14

945.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.61	87.98	29.41	47.79	73.32	86.50
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Isobutyl)

C7H11(945)

[CH2]C1CC=CC1C

95.16

946.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.14	82.33	28.83	46.87	71.51	83.00
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(CCJ2_triplet)

C7H10(946)

CC1[C]CCC=C1

94.15

947.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.64	78.33	27.60	45.05	69.85	81.22
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_4_ane) - ring(Cyclobutane) - ring(Cyclobutane) + ring(Cyclobutene) + ring(Cyclobutane)

C7H10(947)

CC1C=C2CCC21

94.15

948.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
21.55	78.53	28.62	45.20	69.85	81.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + polycyclic(s2_4_4_ene_1)

C7H10(948)

CC1=CC2CCC12

94.15

949.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
30.00	69.60	22.53	36.63	57.36	66.88
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + polycyclic(s2_4_4_ene_1)

C6H8(949)

C1=CC2CCC12

80.13

950.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.13	84.44	28.09	45.15	72.96	85.40
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- tertiary)

C7H11(950)

CC1C[C]2CCC21

95.16

951.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.63	84.44	28.09	45.15	72.96	85.40
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(Tertalkyl)

C7H11(951)

C[C]1CC2CCC12

95.16

952.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.13	84.44	28.09	45.15	72.96	85.40
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- tertiary)

C7H11(952)

CC1CC2CC[C]12

95.16

953.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.73	83.71	27.60	45.63	73.43	85.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary)

C7H11(953)

CC1CC2[CH]CC12

95.16

954.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
76.23	82.91	28.36	46.76	73.83	87.08
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(Isobutyl)

C7H11(954)

[CH2]C1CC2CCC12

95.16

955.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.73	83.71	27.60	45.63	73.43	85.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary)

C7H11(955)

CC1CC2C[CH]C12

95.16

956.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
125.62	88.95	26.75	42.18	68.80	80.35
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary) + radical(bicyclo[2.2.0]hexane-tertiary)

C7H10(956)

CC1[CH]C2CC[C]12

94.15

957.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
125.62	88.95	26.75	42.18	68.80	80.35
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary) + radical(bicyclo[2.2.0]hexane-tertiary)

C7H10(957)

CC1[CH][C]2CCC21

94.15

958.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.39	80.10	21.05	34.35	56.77	66.33
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane-secondary) + radical(bicyclo[2.2.0]hexane-secondary)

C6H8(958)

[CH]1[CH]C2CCC12

80.13

959.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.12	88.95	26.75	42.18	68.80	80.35
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary) + radical(Tertalkyl)

C7H10(959)

C[C]1[CH]C2CCC12

94.15

960.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.22	88.22	26.25	42.66	69.25	80.82
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary) + radical(bicyclo[2.2.0]hexane-secondary)

C7H10(960)

CC1[CH]C2[CH]CC12

94.15

961.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.72	87.42	27.01	43.79	69.62	82.04
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(Isobutyl) + radical(bicyclo[2.2.0]hexane-secondary)

C7H10(961)

[CH2]C1[CH]C2CCC12

94.15

962.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.73	91.72	30.65	48.68	73.37	85.29
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ)

C7H11(962)

[CH2]CC1C=CC1C

95.16

963.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.90	76.97	22.40	37.33	60.95	71.37
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane-secondary)

C6H9(963)

[CH]1CC2CCC12

81.14

964.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.94	78.73	26.11	44.91	73.02	85.77
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s3_4_5_ane) + radical(bicyclo[2.1.1]hexane-C5)

C7H11(964)

CC1C2[CH]C1CC2

95.16

965.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.86	86.85	28.35	46.28	72.96	84.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_4_ane) + radical(Cs_S)

C7H11(965)

C[CH]C1C2CCC12

95.16

966.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
134.32	79.20	28.12	45.94	71.23	82.55
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(CCJ2_triplet)

C7H10(966)

CC1[C]C2CCC12

94.15

967.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.67	97.14	33.87	49.40	70.35	80.31
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(CCJ2_triplet)

C7H10(967)

[CH]CC=CC=CC

94.15

968.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.39	96.61	31.05	46.79	71.90	83.54
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Tertalkyl)

C7H11(968)

CC=CC[C]1CC1

95.16

969.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.89	94.56	31.53	48.36	72.72	84.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(969)

CC=[C]CC1CC1

95.16

970.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.89	97.26	30.54	47.29	72.33	84.01
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(970)

CC=CCC1[CH]C1

95.16

971.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.89	94.56	31.53	48.36	72.72	84.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(971)

C[C]=CCC1CC1

95.16

972.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.27	88.80	28.49	47.31	72.95	85.35
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(972)

CC1[CH]C1C1CC1

95.16

973.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.31	94.94	31.17	48.45	72.74	84.41
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(973)

CC[C]=CC1CC1

95.16

974.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.31	94.94	31.17	48.45	72.74	84.41
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(974)

CCC=[C]C1CC1

95.16

975.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
49.71	88.06	29.70	47.65	73.04	85.65
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_T)

C7H11(975)

CCC=C[C]1CC1

95.16

976.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.39	95.30	34.61	49.86	73.02	83.78
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Cs_S)

C7H11(976)

CC[CH]C1C=C1C

95.16

977.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
45.96	93.38	31.69	47.42	69.88	81.21
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-CtCs) + group (Ct-Ct(Cds-Cds))

C7H10(977)

CC#CC=CCC

94.15

978.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
44.28	59.28	14.56	19.70	27.59	32.80
Thermo group additivity estimation: group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtH)

C#CC(978)

C#CC

40.06

979.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.13	87.60	27.39	39.95	57.89	67.07
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) + radical(Cds_S)

C6H8(979)

[CH2]C=CC=[C]C

80.13

980.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
134.20	79.77	23.82	32.83	44.99	51.04
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_P)

C5H6(980)

[CH]=CC=[C]C

66.10

981.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.64	67.01	14.91	19.40	27.12	31.09
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_P)

C3H4(981)

[CH]=[C]C

40.06

982.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.35	102.74	31.94	45.40	68.11	82.09
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Sec_Propargyl) + radical(RCCJCC)

C7H10(982)

CC#C[CH][CH]CC

94.15

983.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
50.03	84.61	29.59	47.88	73.58	86.41
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Allyl_T)

C7H11(983)

CCC1C=C[C]1C

95.16

984.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.24	86.96	29.28	41.84	60.60	69.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S)

C6H9(984)

C[C]=CC=CC

81.14

985.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
146.88	88.16	28.63	40.92	57.56	65.41
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(CdCdJ2_triplet)

C6H8(985)

[C]=CC=CCC

80.13

986.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
39.76	66.32	42.88	59.72	82.12	92.37
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cdd-CdsCds) + ring(six-inringtwodouble-12)

C7H10(986)

CC1CC=C=CC1

94.15

987.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.21	75.30	21.12	35.26	57.61	68.03
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(RCCJCC)

C6H8(987)

[CH]1C=CC[CH]C1

80.13

988.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.76	84.37	27.44	45.51	73.22	85.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane-C3)

C7H11(988)

CC1CC2[CH]C2C1

95.16

Reactions (3953)

Reaction Filter:

Reaction List:

Index

Reaction

Family

21.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

Arrhenius(A=(2.052e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -55.22
S298 (cal/mol*K) = -22.77
G298 (kcal/mol) = -48.44

! Template reaction: Disproportionation ! Flux pairs: C7H9(24), C7H10(1); C7H11(22), C7H10(1); ! Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H9(24)=C7H10(1)+C7H10(1) 2.052000e+14 -0.350 0.000

22.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

Arrhenius(A=(1.026e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -68.07
S298 (cal/mol*K) = -32.86
G298 (kcal/mol) = -58.28

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(24)+C7H11(40)=C7H10(1)+C7H10(1) 1.026000e+14 -0.350 0.000

25.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -65.77
S298 (cal/mol*K) = -21.06
G298 (kcal/mol) = -59.50

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H9(26)=C7H10(1)+C7H10(1) 4.840000e+12 0.000 0.000

26.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+06,'m^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] Euclidian distance = 3.60555127546 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -78.62
S298 (cal/mol*K) = -31.14
G298 (kcal/mol) = -69.34

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(26)+C7H11(40)=C7H10(1)+C7H10(1) 2.420000e+12 0.000 0.000

27.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -56.57
S298 (cal/mol*K) = -19.96
G298 (kcal/mol) = -50.63

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H9(27)=C7H10(1)+C7H10(1) 4.840000e+12 0.000 0.000

28.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+06,'m^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] Euclidian distance = 3.60555127546 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -69.42
S298 (cal/mol*K) = -30.04
G298 (kcal/mol) = -60.47

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(40)+C7H9(27)=C7H10(1)+C7H10(1) 2.420000e+12 0.000 0.000

31.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.1	+2.5	+3.6	+4.3

Arrhenius(A=(2.75906e-08,'m^3/(mol*s)'), n=3.80154, Ea=(26.4597,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [X_H;C_rad/H/NonDeC] for rate rule [Orad_O_H;C_rad/H/NonDeC] Euclidian distance = 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -46.78
S298 (cal/mol*K) = -10.62
G298 (kcal/mol) = -43.61

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(24), C7H10(1); ! Estimated using template [X_H;C_rad/H/NonDeC] for rate rule [Orad_O_H;C_rad/H/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(24)+HO2(43)=C7H10(1)+O2(2) 2.759059e-02 3.802 6.324

32.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.1	+0.8	+3.1	+4.4

Arrhenius(A=(1.13791e-07,'m^3/(mol*s)'), n=4.12615, Ea=(88.7725,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [X_H;C_rad/H/CdCs] for rate rule [Orad_O_H;C_rad/H/CdCs] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -26.29
S298 (cal/mol*K) = -21.53
G298 (kcal/mol) = -19.87

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(5), C7H10(1); ! Estimated using template [X_H;C_rad/H/CdCs] for rate rule [Orad_O_H;C_rad/H/CdCs] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H9(5)+HO2(43)=C7H10(1)+O2(2) 1.137908e-01 4.126 21.217

33.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+4.6	+5.4	+5.9

Arrhenius(A=(6.08097e-08,'m^3/(mol*s)'), n=4.00063, Ea=(3.70173,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] Euclidian distance = 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -57.33
S298 (cal/mol*K) = -8.90
G298 (kcal/mol) = -54.67

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(26), C7H10(1); ! Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(26)+HO2(43)=C7H10(1)+O2(2) 6.080974e-02 4.001 0.885

34.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.0	+2.5	+4.0	+4.9

Arrhenius(A=(2.54727e-08,'m^3/(mol*s)'), n=4.12615, Ea=(43.1886,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [X_H;Cd_rad/Cd] for rate rule [Orad_O_H;Cd_rad/Cd] Euclidian distance = 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -48.13
S298 (cal/mol*K) = -7.80
G298 (kcal/mol) = -45.80

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(27), C7H10(1); ! Estimated using template [X_H;Cd_rad/Cd] for rate rule [Orad_O_H;Cd_rad/Cd] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(27)+HO2(43)=C7H10(1)+O2(2) 2.547266e-02 4.126 10.322

35.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.4	-7.2	-1.5	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-6.6	-0.8	+1.7

Chebyshev(coeffs=[[-26.7116,0.914601,-0.26456,0.0197725],[28.8424,0.5864,0.0131368,-0.0702603],[-0.877708,0.157179,0.0496971,-0.0149477],[-0.359276,-0.00342277,0.0274659,0.00796554],[-0.132047,-0.004109,0.00518992,0.00530117],[-0.0618083,0.0178025,-0.000122659,-0.00073566]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 32.32
G298 (kcal/mol) = 88.82

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H9(24); C7H10(1), H(25); C7H10(1)(+M)=>C7H9(24)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.671e+01 9.146e-01 -2.646e-01 1.977e-02 / CHEB/ 2.884e+01 5.864e-01 1.314e-02 -7.026e-02 / CHEB/ -8.777e-01 1.572e-01 4.970e-02 -1.495e-02 / CHEB/ -3.593e-01 -3.423e-03 2.747e-02 7.966e-03 / CHEB/ -1.320e-01 -4.109e-03 5.190e-03 5.301e-03 / CHEB/ -6.181e-02 1.780e-02 -1.227e-04 -7.357e-04 /

36.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.9	-10.7	-4.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-32.6	-10.0	-3.3	-0.3

Chebyshev(coeffs=[[-32.0988,1.16301,-0.280991,-0.0104925],[31.9611,0.503459,0.0762495,-0.0571092],[-0.820984,0.086931,0.0475611,0.00254848],[-0.273847,-0.0112017,0.0141262,0.0102575],[-0.0774261,0.012173,0.0047332,0.00179349],[-0.0467062,0.0208135,0.00428577,-0.00122673]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 30.61
G298 (kcal/mol) = 99.88

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(26); C7H10(1)(+M)=>H(25)+C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.210e+01 1.163e+00 -2.810e-01 -1.049e-02 / CHEB/ 3.196e+01 5.035e-01 7.625e-02 -5.711e-02 / CHEB/ -8.210e-01 8.693e-02 4.756e-02 2.548e-03 / CHEB/ -2.738e-01 -1.120e-02 1.413e-02 1.026e-02 / CHEB/ -7.743e-02 1.217e-02 4.733e-03 1.793e-03 / CHEB/ -4.671e-02 2.081e-02 4.286e-03 -1.227e-03 /

37.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.9	-7.1	-1.2	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-27.8	-6.6	-0.5	+2.2

Chebyshev(coeffs=[[-27.1666,0.952662,-0.268794,0.0158625],[29.6778,0.581116,0.0239225,-0.0703459],[-0.812308,0.147409,0.0509854,-0.0122374],[-0.329223,-0.00642574,0.0253787,0.00892823],[-0.115335,-0.00290176,0.00456912,0.0049279],[-0.0551702,0.0180405,0.000551177,-0.000895422]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.80
S298 (cal/mol*K) = 29.51
G298 (kcal/mol) = 91.01

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(27); C7H10(1)(+M)=>H(25)+C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.717e+01 9.527e-01 -2.688e-01 1.586e-02 / CHEB/ 2.968e+01 5.811e-01 2.392e-02 -7.035e-02 / CHEB/ -8.123e-01 1.474e-01 5.099e-02 -1.224e-02 / CHEB/ -3.292e-01 -6.426e-03 2.538e-02 8.928e-03 / CHEB/ -1.153e-01 -2.902e-03 4.569e-03 4.928e-03 / CHEB/ -5.517e-02 1.804e-02 5.512e-04 -8.954e-04 /

38.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	+2.3	+6.0	+7.3
log₁₀(k(10 bar)/[mole,m,s])	-10.9	+2.4	+6.2	+7.7

Chebyshev(coeffs=[[-10.3141,0.335359,-0.123668,0.0254055],[18.4096,0.428632,-0.112375,-0.00321826],[-0.544094,0.194254,-0.0173094,-0.0182069],[-0.230414,0.0457858,0.0245706,-0.0137317],[-0.127986,0.0010872,0.0216598,-0.00420131],[-0.0881322,0.0080867,0.00578431,0.000242432]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.22
S298 (cal/mol*K) = 24.15
G298 (kcal/mol) = 48.03

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(28); C7H10(1)(+M)=>C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.031e+01 3.354e-01 -1.237e-01 2.541e-02 / CHEB/ 1.841e+01 4.286e-01 -1.124e-01 -3.218e-03 / CHEB/ -5.441e-01 1.943e-01 -1.731e-02 -1.821e-02 / CHEB/ -2.304e-01 4.579e-02 2.457e-02 -1.373e-02 / CHEB/ -1.280e-01 1.087e-03 2.166e-02 -4.201e-03 / CHEB/ -8.813e-02 8.087e-03 5.784e-03 2.424e-04 /

39.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.6	+0.2	+5.0	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-17.6	+0.5	+5.6	+7.5

Chebyshev(coeffs=[[-16.9437,0.662423,-0.223406,0.0369996],[25.0135,0.549071,-0.0522803,-0.0517074],[-0.784482,0.192099,0.0292071,-0.0262057],[-0.35374,0.0230112,0.0347184,-0.00190285],[-0.170454,-0.0027447,0.0128782,0.00478657],[-0.0914345,0.0155223,-0.00101566,0.000998672]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.62
S298 (cal/mol*K) = 29.77
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(29); C7H10(1)(+M)=>C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.694e+01 6.624e-01 -2.234e-01 3.700e-02 / CHEB/ 2.501e+01 5.491e-01 -5.228e-02 -5.171e-02 / CHEB/ -7.845e-01 1.921e-01 2.921e-02 -2.621e-02 / CHEB/ -3.537e-01 2.301e-02 3.472e-02 -1.903e-03 / CHEB/ -1.705e-01 -2.745e-03 1.288e-02 4.787e-03 / CHEB/ -9.143e-02 1.552e-02 -1.016e-03 9.987e-04 /

40.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.8	-3.1	+2.4	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-22.7	-2.7	+3.0	+5.4

Chebyshev(coeffs=[[-22.1279,0.835611,-0.256149,0.0273492],[27.9699,0.575609,-0.00705095,-0.0669269],[-0.857586,0.176687,0.0439389,-0.0202102],[-0.353555,0.00812358,0.0305868,0.00479353],[-0.142195,-0.00533348,0.00750511,0.00568042],[-0.0699176,0.0160467,-0.000912069,-9.38522e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.62
S298 (cal/mol*K) = 29.77
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(30); C7H10(1)(+M)=>C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.213e+01 8.356e-01 -2.561e-01 2.735e-02 / CHEB/ 2.797e+01 5.756e-01 -7.051e-03 -6.693e-02 / CHEB/ -8.576e-01 1.767e-01 4.394e-02 -2.021e-02 / CHEB/ -3.536e-01 8.124e-03 3.059e-02 4.794e-03 / CHEB/ -1.422e-01 -5.333e-03 7.505e-03 5.680e-03 / CHEB/ -6.992e-02 1.605e-02 -9.121e-04 -9.385e-05 /

41.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	+1.2	+5.2	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-13.7	+1.3	+5.5	+7.1

Chebyshev(coeffs=[[-13.1082,0.451942,-0.163973,0.0339539],[20.7369,0.484509,-0.0976174,-0.0207609],[-0.683435,0.192386,0.00349508,-0.0240233],[-0.304947,0.0332396,0.0331803,-0.00988078],[-0.164219,-0.00149915,0.0199074,0.000522604],[-0.10253,0.0124989,0.00229621,0.00154433]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.07
S298 (cal/mol*K) = 31.48
G298 (kcal/mol) = 58.69

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(31); C7H10(1)(+M)=>C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.311e+01 4.519e-01 -1.640e-01 3.395e-02 / CHEB/ 2.074e+01 4.845e-01 -9.762e-02 -2.076e-02 / CHEB/ -6.834e-01 1.924e-01 3.495e-03 -2.402e-02 / CHEB/ -3.049e-01 3.324e-02 3.318e-02 -9.881e-03 / CHEB/ -1.642e-01 -1.499e-03 1.991e-02 5.226e-04 / CHEB/ -1.025e-01 1.250e-02 2.296e-03 1.544e-03 /

42.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.2	-0.5	+3.6	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-15.2	-0.4	+3.9	+5.6

Chebyshev(coeffs=[[-14.5283,0.410081,-0.150552,0.0320784],[20.482,0.462257,-0.102362,-0.0142048],[-0.550681,0.191914,-0.00334601,-0.0217742],[-0.246046,0.0365345,0.0309228,-0.010972],[-0.14094,-0.0016131,0.0211377,-0.000728815],[-0.0957606,0.0103638,0.00375355,0.0014607]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.77
S298 (cal/mol*K) = 21.06
G298 (kcal/mol) = 59.50

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(32); C7H10(1)(+M)=>C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.453e+01 4.101e-01 -1.506e-01 3.208e-02 / CHEB/ 2.048e+01 4.623e-01 -1.024e-01 -1.420e-02 / CHEB/ -5.507e-01 1.919e-01 -3.346e-03 -2.177e-02 / CHEB/ -2.460e-01 3.653e-02 3.092e-02 -1.097e-02 / CHEB/ -1.409e-01 -1.613e-03 2.114e-02 -7.288e-04 / CHEB/ -9.576e-02 1.036e-02 3.754e-03 1.461e-03 /

43.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	+2.9	+5.9	+7.2
log₁₀(k(10 bar)/[mole,m,s])	-7.7	+2.6	+5.7	+7.0

Chebyshev(coeffs=[[-6.51387,-0.738402,0.211426,0.0371312],[14.2274,0.442655,-0.205656,0.0470691],[-0.333616,0.167544,-0.0986088,0.026251],[-0.167351,0.106624,-0.0195758,-0.00923309],[-0.0669812,0.00141855,0.00585446,-0.00330934],[-0.0480886,-0.0106098,0.00485716,0.00176185]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.37
S298 (cal/mol*K) = 14.06
G298 (kcal/mol) = 38.18

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(33); C7H10(1)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.514e+00 -7.384e-01 2.114e-01 3.713e-02 / CHEB/ 1.423e+01 4.427e-01 -2.057e-01 4.707e-02 / CHEB/ -3.336e-01 1.675e-01 -9.861e-02 2.625e-02 / CHEB/ -1.674e-01 1.066e-01 -1.958e-02 -9.233e-03 / CHEB/ -6.698e-02 1.419e-03 5.854e-03 -3.309e-03 / CHEB/ -4.809e-02 -1.061e-02 4.857e-03 1.762e-03 /

44.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-1.6	+2.7	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-1.4	+3.1	+4.8

Chebyshev(coeffs=[[-16.3075,0.465145,-0.169194,0.0353194],[21.5734,0.483847,-0.0933251,-0.0232489],[-0.609213,0.191973,0.00499278,-0.0241183],[-0.272287,0.0330777,0.0331784,-0.00926496],[-0.151831,-0.00151064,0.0195912,0.000893326],[-0.0986342,0.012486,0.0021901,0.00157949]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.77
S298 (cal/mol*K) = 19.68
G298 (kcal/mol) = 59.91

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(34); C7H10(1)(+M)=>C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.631e+01 4.651e-01 -1.692e-01 3.532e-02 / CHEB/ 2.157e+01 4.838e-01 -9.333e-02 -2.325e-02 / CHEB/ -6.092e-01 1.920e-01 4.993e-03 -2.412e-02 / CHEB/ -2.723e-01 3.308e-02 3.318e-02 -9.265e-03 / CHEB/ -1.518e-01 -1.511e-03 1.959e-02 8.933e-04 / CHEB/ -9.863e-02 1.249e-02 2.190e-03 1.579e-03 /

45.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	+0.1	+4.3	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-15.5	+0.3	+4.7	+6.3

Chebyshev(coeffs=[[-14.8944,0.509442,-0.182356,0.0365508],[21.8241,0.504803,-0.086707,-0.0299975],[-0.746313,0.192211,0.0116891,-0.0256562],[-0.331912,0.0300489,0.0347074,-0.00776527],[-0.174005,-0.00149912,0.0180872,0.00211003],[-0.103953,0.0140629,0.000955911,0.00158633]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.07
S298 (cal/mol*K) = 32.86
G298 (kcal/mol) = 58.28

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(35); C7H10(1)(+M)=>C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.489e+01 5.094e-01 -1.824e-01 3.655e-02 / CHEB/ 2.182e+01 5.048e-01 -8.671e-02 -3.000e-02 / CHEB/ -7.463e-01 1.922e-01 1.169e-02 -2.566e-02 / CHEB/ -3.319e-01 3.005e-02 3.471e-02 -7.765e-03 / CHEB/ -1.740e-01 -1.499e-03 1.809e-02 2.110e-03 / CHEB/ -1.040e-01 1.406e-02 9.559e-04 1.586e-03 /

46.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.6	-3.8	+2.9	+5.9
log₁₀(k(10 bar)/[mole,m,s])	-26.1	-3.1	+3.7	+6.8

Chebyshev(coeffs=[[-25.789,1.29163,-0.277418,-0.0291821],[32.8803,0.411862,0.0946573,-0.0383794],[-0.901964,0.0649865,0.0389546,0.00693794],[-0.264061,-0.000696311,0.0107958,0.00791598],[-0.0652033,0.0197399,0.00729222,0.00080217],[-0.0455633,0.0178204,0.00560939,-0.00036276]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 110.55
S298 (cal/mol*K) = 45.24
G298 (kcal/mol) = 97.07

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(36); C7H10(1)(+M)=>C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.579e+01 1.292e+00 -2.774e-01 -2.918e-02 / CHEB/ 3.288e+01 4.119e-01 9.466e-02 -3.838e-02 / CHEB/ -9.020e-01 6.499e-02 3.895e-02 6.938e-03 / CHEB/ -2.641e-01 -6.963e-04 1.080e-02 7.916e-03 / CHEB/ -6.520e-02 1.974e-02 7.292e-03 8.022e-04 / CHEB/ -4.556e-02 1.782e-02 5.609e-03 -3.628e-04 /

47.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-1.4	+4.2	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-21.1	-0.9	+4.9	+7.2

Chebyshev(coeffs=[[-20.5604,0.868254,-0.25841,0.0240643],[28.2464,0.59008,-6.6783e-05,-0.0691588],[-0.848411,0.168083,0.0473926,-0.0180471],[-0.36535,0.000999273,0.0296837,0.00652544],[-0.142074,-0.00533705,0.00621826,0.00567963],[-0.0658013,0.0169873,-0.000703703,-0.000416679]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.72
S298 (cal/mol*K) = 44.25
G298 (kcal/mol) = 80.54

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(37); C7H10(1)(+M)=>C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.056e+01 8.683e-01 -2.584e-01 2.406e-02 / CHEB/ 2.825e+01 5.901e-01 -6.678e-05 -6.916e-02 / CHEB/ -8.484e-01 1.681e-01 4.739e-02 -1.805e-02 / CHEB/ -3.654e-01 9.993e-04 2.968e-02 6.525e-03 / CHEB/ -1.421e-01 -5.337e-03 6.218e-03 5.680e-03 / CHEB/ -6.580e-02 1.699e-02 -7.037e-04 -4.167e-04 /

49.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	+2.0	+6.9	+8.8
log₁₀(k(10 bar)/[mole,m,s])	-15.9	+2.3	+7.4	+9.5

Chebyshev(coeffs=[[-15.1635,0.645582,-0.220472,0.0378616],[25.0951,0.538855,-0.0548705,-0.0496783],[-0.722224,0.192466,0.0268915,-0.02626],[-0.323361,0.0249391,0.0345854,-0.0026649],[-0.161163,-0.00215446,0.0135436,0.00447113],[-0.0906317,0.0153898,-0.000786164,0.00107784]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.81
S298 (cal/mol*K) = 43.24
G298 (kcal/mol) = 65.92

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(39); C7H10(1)(+M)=>C7H10(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.516e+01 6.456e-01 -2.205e-01 3.786e-02 / CHEB/ 2.510e+01 5.389e-01 -5.487e-02 -4.968e-02 / CHEB/ -7.222e-01 1.925e-01 2.689e-02 -2.626e-02 / CHEB/ -3.234e-01 2.494e-02 3.459e-02 -2.665e-03 / CHEB/ -1.612e-01 -2.154e-03 1.354e-02 4.471e-03 / CHEB/ -9.063e-02 1.539e-02 -7.862e-04 1.078e-03 /

260.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.8	-7.9	-2.0	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-29.4	-8.3	-2.1	+0.8

Chebyshev(coeffs=[[-28.4777,-0.386934,-0.543044,0.0670114],[30.0379,0.7713,0.00809132,-0.09049],[-0.985317,0.142811,0.0715398,-0.012741],[-0.349418,0.0464847,0.0197738,0.00417708],[-0.0724445,0.0766732,-0.00547458,-0.00472975],[-0.027299,0.0661003,-0.00277743,-0.00673773]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.47
S298 (cal/mol*K) = 41.39
G298 (kcal/mol) = 89.13

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(44); C7H10(1)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.848e+01 -3.869e-01 -5.430e-01 6.701e-02 / CHEB/ 3.004e+01 7.713e-01 8.091e-03 -9.049e-02 / CHEB/ -9.853e-01 1.428e-01 7.154e-02 -1.274e-02 / CHEB/ -3.494e-01 4.648e-02 1.977e-02 4.177e-03 / CHEB/ -7.244e-02 7.667e-02 -5.475e-03 -4.730e-03 / CHEB/ -2.730e-02 6.610e-02 -2.777e-03 -6.738e-03 /

261.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.0	-11.4	-4.4	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-35.1	-11.4	-4.2	-0.8

Chebyshev(coeffs=[[-34.5698,0.29234,-0.571631,-0.0212533],[34.3159,0.50115,0.0988911,-0.0422062],[-1.03802,0.0783087,0.0546064,0.00735999],[-0.278604,0.0893113,0.0187715,-0.00294632],[-0.0366005,0.110967,0.0139698,-0.0102598],[-0.0315824,0.0615537,0.00930715,-0.00510142]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 116.52
S298 (cal/mol*K) = 49.52
G298 (kcal/mol) = 101.76

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(45); C7H10(1)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.457e+01 2.923e-01 -5.716e-01 -2.125e-02 / CHEB/ 3.432e+01 5.012e-01 9.889e-02 -4.221e-02 / CHEB/ -1.038e+00 7.831e-02 5.461e-02 7.360e-03 / CHEB/ -2.786e-01 8.931e-02 1.877e-02 -2.946e-03 / CHEB/ -3.660e-02 1.110e-01 1.397e-02 -1.026e-02 / CHEB/ -3.158e-02 6.155e-02 9.307e-03 -5.101e-03 /

262.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.2	-11.0	-4.3	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-11.1	-4.1	-0.8

Chebyshev(coeffs=[[-33.7702,0.194285,-0.578609,-0.0077291],[33.5518,0.559581,0.0979244,-0.0532167],[-1.05264,0.0805067,0.0571642,0.00685189],[-0.295098,0.0798994,0.0165003,-0.00160466],[-0.042924,0.108411,0.0110589,-0.0103843],[-0.0307523,0.0636959,0.00856146,-0.00563504]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 114.47
S298 (cal/mol*K) = 48.60
G298 (kcal/mol) = 99.98

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(46); C7H10(1)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.377e+01 1.943e-01 -5.786e-01 -7.729e-03 / CHEB/ 3.355e+01 5.596e-01 9.792e-02 -5.322e-02 / CHEB/ -1.053e+00 8.051e-02 5.716e-02 6.852e-03 / CHEB/ -2.951e-01 7.990e-02 1.650e-02 -1.605e-03 / CHEB/ -4.292e-02 1.084e-01 1.106e-02 -1.038e-02 / CHEB/ -3.075e-02 6.370e-02 8.561e-03 -5.635e-03 /

263.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-43.4	-16.4	-8.2	-4.5
log₁₀(k(10 bar)/[mole,m,s])	-43.1	-16.2	-7.8	-3.8

Chebyshev(coeffs=[[-42.4396,0.822828,-0.475706,-0.0692527],[38.8918,0.282481,0.0653685,-0.0177862],[-0.943274,0.0713963,0.0490159,0.0108199],[-0.228776,0.115434,0.0377448,-0.000524244],[-0.0347027,0.106802,0.0276808,-0.00543584],[-0.0452377,0.0481759,0.0121803,-0.00255717]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 130.57
S298 (cal/mol*K) = 46.89
G298 (kcal/mol) = 116.59

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(47); C7H10(1)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.244e+01 8.228e-01 -4.757e-01 -6.925e-02 / CHEB/ 3.889e+01 2.825e-01 6.537e-02 -1.779e-02 / CHEB/ -9.433e-01 7.140e-02 4.902e-02 1.082e-02 / CHEB/ -2.288e-01 1.154e-01 3.774e-02 -5.242e-04 / CHEB/ -3.470e-02 1.068e-01 2.768e-02 -5.436e-03 / CHEB/ -4.524e-02 4.818e-02 1.218e-02 -2.557e-03 /

264.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.9	-5.2	-0.1	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-24.8	-5.8	-0.4	+2.0

Chebyshev(coeffs=[[-23.6384,-0.774134,-0.460662,0.0929335],[26.6669,0.798137,-0.0812119,-0.0730735],[-0.961277,0.198002,0.0571535,-0.0317031],[-0.388071,0.0485372,0.0291807,0.000216539],[-0.114447,0.055154,-0.00525765,0.00153187],[-0.0442339,0.0567683,-0.00935871,-0.00356032]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.94
S298 (cal/mol*K) = 29.48
G298 (kcal/mol) = 75.15

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(48); C7H10(1)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.364e+01 -7.741e-01 -4.607e-01 9.293e-02 / CHEB/ 2.667e+01 7.981e-01 -8.121e-02 -7.307e-02 / CHEB/ -9.613e-01 1.980e-01 5.715e-02 -3.170e-02 / CHEB/ -3.881e-01 4.854e-02 2.918e-02 2.165e-04 / CHEB/ -1.144e-01 5.515e-02 -5.258e-03 1.532e-03 / CHEB/ -4.423e-02 5.677e-02 -9.359e-03 -3.560e-03 /

265.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.7	-7.1	-1.3	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-28.4	-7.5	-1.4	+1.4

Chebyshev(coeffs=[[-27.392,-0.444913,-0.532874,0.0725371],[29.5856,0.784118,-0.00546485,-0.0904512],[-0.975409,0.152045,0.0708871,-0.0158166],[-0.357228,0.0448021,0.0214506,0.00418067],[-0.0794766,0.0730628,-0.00612978,-0.00373114],[-0.0287893,0.0653781,-0.00409194,-0.00648362]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.94
S298 (cal/mol*K) = 29.48
G298 (kcal/mol) = 75.15

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(49); C7H10(1)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.739e+01 -4.449e-01 -5.329e-01 7.254e-02 / CHEB/ 2.959e+01 7.841e-01 -5.465e-03 -9.045e-02 / CHEB/ -9.754e-01 1.520e-01 7.089e-02 -1.582e-02 / CHEB/ -3.572e-01 4.480e-02 2.145e-02 4.181e-03 / CHEB/ -7.948e-02 7.306e-02 -6.130e-03 -3.731e-03 / CHEB/ -2.879e-02 6.538e-02 -4.092e-03 -6.484e-03 /

266.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.7	-6.2	-0.6	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-6.7	-0.8	+1.8

Chebyshev(coeffs=[[-25.3958,-0.609212,-0.497259,0.084658],[27.9979,0.819324,-0.0463842,-0.0859273],[-0.89402,0.181714,0.0667525,-0.0249217],[-0.256017,0.0428512,0.0269242,0.00326239],[-0.0974149,0.0629493,-0.0062876,-0.000751293],[-0.104715,0.0634001,-0.00734302,-0.00549585]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.24
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 70.67

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(50); C7H10(1)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.540e+01 -6.092e-01 -4.973e-01 8.466e-02 / CHEB/ 2.800e+01 8.193e-01 -4.638e-02 -8.593e-02 / CHEB/ -8.940e-01 1.817e-01 6.675e-02 -2.492e-02 / CHEB/ -2.560e-01 4.285e-02 2.692e-02 3.262e-03 / CHEB/ -9.741e-02 6.295e-02 -6.288e-03 -7.513e-04 / CHEB/ -1.047e-01 6.340e-02 -7.343e-03 -5.496e-03 /

267.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.9	-4.7	+0.1	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-22.9	-5.3	-0.3	+1.8

Chebyshev(coeffs=[[-21.5618,-1.03189,-0.381686,0.0912486],[24.4236,0.786025,-0.141262,-0.0435326],[-0.825342,0.227818,0.0343086,-0.0374523],[-0.352416,0.0506351,0.0337215,-0.00547502],[-0.118356,0.0426932,0.000332693,0.00359708],[-0.0549815,0.0492557,-0.00975824,-0.00099721]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.24
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 70.67

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(51); C7H10(1)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.156e+01 -1.032e+00 -3.817e-01 9.125e-02 / CHEB/ 2.442e+01 7.860e-01 -1.413e-01 -4.353e-02 / CHEB/ -8.253e-01 2.278e-01 3.431e-02 -3.745e-02 / CHEB/ -3.524e-01 5.064e-02 3.372e-02 -5.475e-03 / CHEB/ -1.184e-01 4.269e-02 3.327e-04 3.597e-03 / CHEB/ -5.498e-02 4.926e-02 -9.758e-03 -9.972e-04 /

268.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.6	-5.1	-0.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-5.7	-0.6	+1.5

Chebyshev(coeffs=[[-22.2479,-0.988378,-0.395844,0.0924534],[24.8425,0.792903,-0.132473,-0.0491845],[-0.83457,0.222462,0.0393762,-0.0371841],[-0.359792,0.049205,0.0336114,-0.00440358],[-0.120118,0.045043,-0.00098337,0.00346694],[-0.0533523,0.0511045,-0.0101025,-0.001426]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.84
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 72.27

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(52); C7H10(1)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.225e+01 -9.884e-01 -3.958e-01 9.245e-02 / CHEB/ 2.484e+01 7.929e-01 -1.325e-01 -4.918e-02 / CHEB/ -8.346e-01 2.225e-01 3.938e-02 -3.718e-02 / CHEB/ -3.598e-01 4.921e-02 3.361e-02 -4.404e-03 / CHEB/ -1.201e-01 4.504e-02 -9.834e-04 3.467e-03 / CHEB/ -5.335e-02 5.110e-02 -1.010e-02 -1.426e-03 /

269.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.3	-1.4	+3.5	+5.5
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-2.0	+3.1	+5.4

Chebyshev(coeffs=[[-18.8986,-0.952299,-0.407199,0.093128],[25.3095,0.797165,-0.124466,-0.0538498],[-0.819777,0.219381,0.0426842,-0.0366171],[-0.358366,0.0490771,0.0329468,-0.00345295],[-0.117044,0.0461199,-0.00161609,0.00322743],[-0.049411,0.0514363,-0.00978624,-0.00186844]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.50
S298 (cal/mol*K) = 38.36
G298 (kcal/mol) = 71.07

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(53); C7H10(1)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.890e+01 -9.523e-01 -4.072e-01 9.313e-02 / CHEB/ 2.531e+01 7.972e-01 -1.245e-01 -5.385e-02 / CHEB/ -8.198e-01 2.194e-01 4.268e-02 -3.662e-02 / CHEB/ -3.584e-01 4.908e-02 3.295e-02 -3.453e-03 / CHEB/ -1.170e-01 4.612e-02 -1.616e-03 3.227e-03 / CHEB/ -4.941e-02 5.144e-02 -9.786e-03 -1.868e-03 /

270.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.0	-5.0	+0.6	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-25.8	-5.4	+0.5	+3.2

Chebyshev(coeffs=[[-24.6735,-0.564832,-0.505504,0.0816783],[28.6838,0.822048,-0.035626,-0.0882395],[-0.902158,0.179757,0.0691838,-0.023115],[-0.369262,0.0481987,0.0254563,0.00332393],[-0.0858313,0.0660136,-0.00590017,-0.00143641],[-0.0212115,0.0616381,-0.00564035,-0.00547415]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.83
S298 (cal/mol*K) = 39.09
G298 (kcal/mol) = 82.19

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(54); C7H10(1)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.467e+01 -5.648e-01 -5.055e-01 8.168e-02 / CHEB/ 2.868e+01 8.220e-01 -3.563e-02 -8.824e-02 / CHEB/ -9.022e-01 1.798e-01 6.918e-02 -2.311e-02 / CHEB/ -3.693e-01 4.820e-02 2.546e-02 3.324e-03 / CHEB/ -8.583e-02 6.601e-02 -5.900e-03 -1.436e-03 / CHEB/ -2.121e-02 6.164e-02 -5.640e-03 -5.474e-03 /

271.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.5	-2.9	+2.3	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-3.4	+2.0	+4.4

Chebyshev(coeffs=[[-21.0889,-0.833659,-0.439606,0.0924546],[26.4437,0.822048,-0.0997903,-0.06749],[-0.820401,0.213071,0.0538394,-0.0346089],[-0.375905,0.0504142,0.0315856,-0.000968034],[-0.109517,0.0523721,-0.00373914,0.00232523],[-0.0318064,0.0547859,-0.00916997,-0.00301683]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.92
S298 (cal/mol*K) = 34.25
G298 (kcal/mol) = 75.72

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(55); C7H10(1)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.109e+01 -8.337e-01 -4.396e-01 9.245e-02 / CHEB/ 2.644e+01 8.220e-01 -9.979e-02 -6.749e-02 / CHEB/ -8.204e-01 2.131e-01 5.384e-02 -3.461e-02 / CHEB/ -3.759e-01 5.041e-02 3.159e-02 -9.680e-04 / CHEB/ -1.095e-01 5.237e-02 -3.739e-03 2.325e-03 / CHEB/ -3.181e-02 5.479e-02 -9.170e-03 -3.017e-03 /

272.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.6	-6.4	+0.2	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-29.0	-6.5	+0.3	+3.5

Chebyshev(coeffs=[[-28.2207,-0.0312668,-0.577311,0.0242236],[32.2521,0.687534,0.0762274,-0.0773168],[-0.954815,0.0958133,0.0666439,0.00303536],[-0.241874,0.0605931,0.0148917,0.00203529],[-0.0456924,0.099719,0.00404433,-0.00952467],[-0.0615145,0.0692541,0.0058935,-0.00698337]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.14
S298 (cal/mol*K) = 39.99
G298 (kcal/mol) = 77.23

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(56); C7H10(1)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.822e+01 -3.127e-02 -5.773e-01 2.422e-02 / CHEB/ 3.225e+01 6.875e-01 7.623e-02 -7.732e-02 / CHEB/ -9.548e-01 9.581e-02 6.664e-02 3.035e-03 / CHEB/ -2.419e-01 6.059e-02 1.489e-02 2.035e-03 / CHEB/ -4.569e-02 9.972e-02 4.044e-03 -9.525e-03 / CHEB/ -6.151e-02 6.925e-02 5.894e-03 -6.983e-03 /

273.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.2	+4.5	+3.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+6.2	+5.5	+4.7	+4.1

Chebyshev(coeffs=[[10.6208,1.81933,-0.0164158,-0.0320927],[-0.543269,-0.0764518,0.0532366,0.0160511],[-0.586307,-0.00216923,0.0219372,0.0174417],[-0.171513,0.0015768,-0.0110016,0.00546244],[-0.0461095,0.00800068,-0.0137646,0.00143417],[-0.041435,0.0127117,-0.00676243,0.001119]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -77.96
S298 (cal/mol*K) = -43.23
G298 (kcal/mol) = -65.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(1); H(25), C7H10(1); C7H9(5)+H(25)(+M)=>C7H10(1)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.062e+01 1.819e+00 -1.642e-02 -3.209e-02 / CHEB/ -5.433e-01 -7.645e-02 5.324e-02 1.605e-02 / CHEB/ -5.863e-01 -2.169e-03 2.194e-02 1.744e-02 / CHEB/ -1.715e-01 1.577e-03 -1.100e-02 5.462e-03 / CHEB/ -4.611e-02 8.001e-03 -1.376e-02 1.434e-03 / CHEB/ -4.143e-02 1.271e-02 -6.762e-03 1.119e-03 /

274.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+4.1	+3.3	+2.5
log₁₀(k(10 bar)/[mole,m,s])	+3.9	+4.0	+3.4	+2.8

Chebyshev(coeffs=[[9.36524,0.162294,-0.171921,0.0222965],[0.0388599,0.21902,-0.0412782,0.0203887],[-0.580617,0.103692,0.0101415,-0.00430204],[-0.316154,0.0875896,-0.0215925,-0.00841902],[-0.153871,0.0875279,-0.0249619,-0.0072259],[-0.0741515,0.0620906,-0.00933039,-0.005967]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.89
S298 (cal/mol*K) = -26.95
G298 (kcal/mol) = -51.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(21); H(25), C7H10(21); C7H9(5)+H(25)(+M)=>C7H10(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.365e+00 1.623e-01 -1.719e-01 2.230e-02 / CHEB/ 3.886e-02 2.190e-01 -4.128e-02 2.039e-02 / CHEB/ -5.806e-01 1.037e-01 1.014e-02 -4.302e-03 / CHEB/ -3.162e-01 8.759e-02 -2.159e-02 -8.419e-03 / CHEB/ -1.539e-01 8.753e-02 -2.496e-02 -7.226e-03 / CHEB/ -7.415e-02 6.209e-02 -9.330e-03 -5.967e-03 /

275.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.4	+6.5	+6.2
log₁₀(k(10 bar)/[mole,m,s])	+6.3	+6.8	+7.0	+6.9

Chebyshev(coeffs=[[11.7654,1.29306,-0.00243888,-0.0508943],[0.603517,-0.163723,-0.105369,0.0835264],[-0.0854645,0.141471,-0.0905343,-0.0140941],[-0.0961666,0.133836,-0.0206773,-0.0385654],[-0.102099,0.0824086,0.0214275,-0.0107513],[-0.0508016,0.030735,0.0164546,0.00243991]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.38
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -18.21

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(18); H(25), C7H10(18); C7H9(5)+H(25)(+M)=>C7H10(18)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.177e+01 1.293e+00 -2.439e-03 -5.089e-02 / CHEB/ 6.035e-01 -1.637e-01 -1.054e-01 8.353e-02 / CHEB/ -8.546e-02 1.415e-01 -9.053e-02 -1.409e-02 / CHEB/ -9.617e-02 1.338e-01 -2.068e-02 -3.857e-02 / CHEB/ -1.021e-01 8.241e-02 2.143e-02 -1.075e-02 / CHEB/ -5.080e-02 3.073e-02 1.645e-02 2.440e-03 /

276.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+5.9	+6.3	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+5.1	+5.9	+5.7

Chebyshev(coeffs=[[10.0166,-0.805503,0.00922072,-0.0403103],[1.88737,0.0804537,-0.232953,0.0892846],[0.207949,0.44798,-0.127067,-0.0294724],[-0.227748,0.315019,0.019957,-0.0379802],[-0.223801,0.114983,0.0701959,-0.00138554],[-0.142827,0.000536737,0.0344034,0.0119717]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.88
S298 (cal/mol*K) = -5.45
G298 (kcal/mol) = -60.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(146); H(25), C7H10(146); C7H9(5)+H(25)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.002e+01 -8.055e-01 9.221e-03 -4.031e-02 / CHEB/ 1.887e+00 8.045e-02 -2.330e-01 8.928e-02 / CHEB/ 2.079e-01 4.480e-01 -1.271e-01 -2.947e-02 / CHEB/ -2.277e-01 3.150e-01 1.996e-02 -3.798e-02 / CHEB/ -2.238e-01 1.150e-01 7.020e-02 -1.386e-03 / CHEB/ -1.428e-01 5.367e-04 3.440e-02 1.197e-02 /

277.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.4	+7.6	+7.4	+7.1
log₁₀(k(10 bar)/[mole,m,s])	+7.3	+7.7	+7.6	+7.5

Chebyshev(coeffs=[[13.1009,0.161564,-0.185881,-0.0307202],[0.125579,0.511528,-0.0463965,0.0254146],[-0.198757,0.229889,-0.00659286,-0.00635858],[-0.113591,0.0543802,-0.00565837,-0.0128772],[-0.0549193,0.030163,0.00116502,-0.00209712],[-0.0370007,0.0327661,-0.00175642,-0.000145106]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.25
S298 (cal/mol*K) = -12.07
G298 (kcal/mol) = -52.65

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(153); H(25), C7H10(153); C7H9(5)+H(25)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.310e+01 1.616e-01 -1.859e-01 -3.072e-02 / CHEB/ 1.256e-01 5.115e-01 -4.640e-02 2.541e-02 / CHEB/ -1.988e-01 2.299e-01 -6.593e-03 -6.359e-03 / CHEB/ -1.136e-01 5.438e-02 -5.658e-03 -1.288e-02 / CHEB/ -5.492e-02 3.016e-02 1.165e-03 -2.097e-03 / CHEB/ -3.700e-02 3.277e-02 -1.756e-03 -1.451e-04 /

278.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+3.2	+3.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+2.4	+3.4	+3.2

Chebyshev(coeffs=[[6.5667,-0.932276,-0.0794959,-0.0771698],[2.77469,0.234452,-0.171511,0.112871],[0.402624,0.447518,-0.138555,-0.0358074],[-0.296698,0.30974,0.0204847,-0.039852],[-0.324945,0.112465,0.0750706,0.00147097],[-0.189152,-0.00248629,0.0342081,0.0131477]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.98
S298 (cal/mol*K) = -10.27
G298 (kcal/mol) = -46.92

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(238); H(25), C7H10(238); C7H9(5)+H(25)(+M)=>C7H10(238)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.567e+00 -9.323e-01 -7.950e-02 -7.717e-02 / CHEB/ 2.775e+00 2.345e-01 -1.715e-01 1.129e-01 / CHEB/ 4.026e-01 4.475e-01 -1.386e-01 -3.581e-02 / CHEB/ -2.967e-01 3.097e-01 2.048e-02 -3.985e-02 / CHEB/ -3.249e-01 1.125e-01 7.507e-02 1.471e-03 / CHEB/ -1.892e-01 -2.486e-03 3.421e-02 1.315e-02 /

279.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+5.2	+5.2	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+4.0	+5.2	+5.4	+5.2

Chebyshev(coeffs=[[10.0771,-0.171481,-0.35553,-0.0603755],[0.778851,0.867096,0.0545596,0.00540366],[-0.0377807,0.225895,0.00548866,0.0103556],[-0.157791,0.0314449,-0.0148561,-0.0108908],[-0.143113,0.0446373,0.00546444,-0.00308695],[-0.0870956,0.0488394,0.00731768,0.00152731]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.30
S298 (cal/mol*K) = -16.88
G298 (kcal/mol) = -39.27

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(187); H(25), C7H10(187); C7H9(5)+H(25)(+M)=>C7H10(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.008e+01 -1.715e-01 -3.555e-01 -6.038e-02 / CHEB/ 7.789e-01 8.671e-01 5.456e-02 5.404e-03 / CHEB/ -3.778e-02 2.259e-01 5.489e-03 1.036e-02 / CHEB/ -1.578e-01 3.144e-02 -1.486e-02 -1.089e-02 / CHEB/ -1.431e-01 4.464e-02 5.464e-03 -3.087e-03 / CHEB/ -8.710e-02 4.884e-02 7.318e-03 1.527e-03 /

280.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-3.6	-1.5	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-3.8	-1.6	-0.5

Chebyshev(coeffs=[[-2.43039,-0.246785,0.0557904,-0.00212713],[7.58012,0.00702915,-0.0628535,0.0173061],[0.412135,0.11398,-0.0442178,-0.00418343],[0.0120676,0.0820881,-0.00359096,-0.0153598],[-0.0315389,0.0186522,0.0164598,-0.0112471],[-0.00953009,-0.013471,0.0117743,-0.00082331]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.49
S298 (cal/mol*K) = -10.91
G298 (kcal/mol) = 23.74

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(24); H(25), H(25); C7H9(5)+H(25)(+M)=>C7H9(24)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.430e+00 -2.468e-01 5.579e-02 -2.127e-03 / CHEB/ 7.580e+00 7.029e-03 -6.285e-02 1.731e-02 / CHEB/ 4.121e-01 1.140e-01 -4.422e-02 -4.183e-03 / CHEB/ 1.207e-02 8.209e-02 -3.591e-03 -1.536e-02 / CHEB/ -3.154e-02 1.865e-02 1.646e-02 -1.125e-02 / CHEB/ -9.530e-03 -1.347e-02 1.177e-02 -8.233e-04 /

281.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-6.1	-3.3	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-6.3	-3.4	-1.9

Chebyshev(coeffs=[[-6.98075,-0.323929,0.0705536,-0.00171691],[10.6625,0.126365,-0.103227,0.0212743],[0.392994,0.127182,-0.0273944,-0.0167661],[0.0403512,0.054403,0.0153942,-0.0178962],[-0.00852111,-0.00255672,0.018863,-0.00392703],[-0.00203121,-0.0177072,0.00607835,0.0043162]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.04
S298 (cal/mol*K) = -12.62
G298 (kcal/mol) = 34.80

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(26); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.981e+00 -3.239e-01 7.055e-02 -1.717e-03 / CHEB/ 1.066e+01 1.264e-01 -1.032e-01 2.127e-02 / CHEB/ 3.930e-01 1.272e-01 -2.739e-02 -1.677e-02 / CHEB/ 4.035e-02 5.440e-02 1.539e-02 -1.790e-02 / CHEB/ -8.521e-03 -2.557e-03 1.886e-02 -3.927e-03 / CHEB/ -2.031e-03 -1.771e-02 6.078e-03 4.316e-03 /

282.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-3.4	-1.0	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-3.6	-1.1	+0.2

Chebyshev(coeffs=[[-2.73648,-0.259489,0.0589017,-0.00250746],[8.39845,0.0248209,-0.0698123,0.0182513],[0.474408,0.11876,-0.0428493,-0.00555461],[0.0356577,0.0784674,-0.000109309,-0.0164055],[-0.0212035,0.0143842,0.0177049,-0.0105419],[-0.00534393,-0.014794,0.010999,0.000265639]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.84
S298 (cal/mol*K) = -13.72
G298 (kcal/mol) = 25.93

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(27); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.736e+00 -2.595e-01 5.890e-02 -2.507e-03 / CHEB/ 8.398e+00 2.482e-02 -6.981e-02 1.825e-02 / CHEB/ 4.744e-01 1.188e-01 -4.285e-02 -5.555e-03 / CHEB/ 3.566e-02 7.847e-02 -1.093e-04 -1.641e-02 / CHEB/ -2.120e-02 1.438e-02 1.770e-02 -1.054e-02 / CHEB/ -5.344e-03 -1.479e-02 1.100e-02 2.656e-04 /

283.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+4.8	+5.4	+5.5
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+4.3	+5.2	+5.4

Chebyshev(coeffs=[[9.35414,-0.882386,0.107738,-0.0032164],[1.89102,0.304825,-0.246934,0.0124436],[0.302645,0.275172,-0.0432012,-0.0357204],[-0.0283969,0.168711,0.058051,-0.0250605],[-0.0719949,0.0266063,0.0545397,0.0127428],[-0.0507195,-0.0330507,0.00938274,0.0172373]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.74
S298 (cal/mol*K) = -19.08
G298 (kcal/mol) = -17.05

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(28); H(25), C7H10(28); C7H9(5)+H(25)(+M)=>C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.354e+00 -8.824e-01 1.077e-01 -3.216e-03 / CHEB/ 1.891e+00 3.048e-01 -2.469e-01 1.244e-02 / CHEB/ 3.026e-01 2.752e-01 -4.320e-02 -3.572e-02 / CHEB/ -2.840e-02 1.687e-01 5.805e-02 -2.506e-02 / CHEB/ -7.199e-02 2.661e-02 5.454e-02 1.274e-02 / CHEB/ -5.072e-02 -3.305e-02 9.383e-03 1.724e-02 /

284.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+2.6	+4.0	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+2.4	+3.8	+4.5

Chebyshev(coeffs=[[6.01747,-0.176836,0.032177,-0.00786729],[4.12467,-0.0799839,-0.0163487,0.0221776],[0.467817,0.065426,-0.042488,0.00275864],[0.00408983,0.0860974,-0.0243198,-0.0108804],[-0.0520959,0.0468278,0.00108469,-0.0105787],[-0.0241238,0.00494357,0.0110179,-0.00509073]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.66
S298 (cal/mol*K) = -13.46
G298 (kcal/mol) = 4.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(29); H(25), C7H10(29); C7H9(5)+H(25)(+M)=>C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.017e+00 -1.768e-01 3.218e-02 -7.867e-03 / CHEB/ 4.125e+00 -7.998e-02 -1.635e-02 2.218e-02 / CHEB/ 4.678e-01 6.543e-02 -4.249e-02 2.759e-03 / CHEB/ 4.090e-03 8.610e-02 -2.432e-02 -1.088e-02 / CHEB/ -5.210e-02 4.683e-02 1.085e-03 -1.058e-02 / CHEB/ -2.412e-02 4.944e-03 1.102e-02 -5.091e-03 /

285.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+0.1	+2.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-5.2	-0.1	+1.9	+3.0

Chebyshev(coeffs=[[1.79535,-0.226732,0.0517151,-0.00225311],[6.74266,-0.0183994,-0.0525515,0.0170172],[0.425715,0.0954462,-0.0432443,-0.00244746],[0.0400101,0.0876485,-0.0113472,-0.0127423],[-0.0313135,0.0301212,0.0118156,-0.0117489],[-0.0159934,-0.00904198,0.0128695,-0.00316956]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.66
S298 (cal/mol*K) = -13.46
G298 (kcal/mol) = 4.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(30); H(25), C7H10(30); C7H9(5)+H(25)(+M)=>C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.795e+00 -2.267e-01 5.172e-02 -2.253e-03 / CHEB/ 6.743e+00 -1.840e-02 -5.255e-02 1.702e-02 / CHEB/ 4.257e-01 9.545e-02 -4.324e-02 -2.447e-03 / CHEB/ 4.001e-02 8.765e-02 -1.135e-02 -1.274e-02 / CHEB/ -3.131e-02 3.012e-02 1.182e-02 -1.175e-02 / CHEB/ -1.599e-02 -9.042e-03 1.287e-02 -3.170e-03 /

286.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+3.2	+4.0	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.9	+3.8	+4.2

Chebyshev(coeffs=[[7.83482,-0.296601,0.0194577,-0.0303571],[2.07327,-0.0740921,-0.0556108,0.0359086],[0.352229,0.110378,-0.0627066,-0.00811925],[0.0175725,0.117713,-0.00924393,-0.0259614],[-0.0386306,0.0547353,0.0282472,-0.00818003],[-0.0326362,0.00121744,0.0220834,0.0085273]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.89
S298 (cal/mol*K) = -11.75
G298 (kcal/mol) = -6.38

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(31); H(25), C7H10(31); C7H9(5)+H(25)(+M)=>C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.835e+00 -2.966e-01 1.946e-02 -3.036e-02 / CHEB/ 2.073e+00 -7.409e-02 -5.561e-02 3.591e-02 / CHEB/ 3.522e-01 1.104e-01 -6.271e-02 -8.119e-03 / CHEB/ 1.757e-02 1.177e-01 -9.244e-03 -2.596e-02 / CHEB/ -3.863e-02 5.474e-02 2.825e-02 -8.180e-03 / CHEB/ -3.264e-02 1.217e-03 2.208e-02 8.527e-03 /

287.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+0.8	+1.5	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+0.7	+1.3	+1.7

Chebyshev(coeffs=[[5.51022,-0.172188,0.00343142,-0.0168849],[2.04015,-0.0804915,0.0291864,0.0268175],[0.228097,0.023163,-0.0269051,0.0118524],[-0.0233415,0.0556367,-0.0358503,-0.00534008],[-0.0454834,0.0505733,-0.0138191,-0.00857642],[-0.0280745,0.0243889,0.00301604,-0.0061927]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.19
S298 (cal/mol*K) = -22.17
G298 (kcal/mol) = -5.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(32); H(25), C7H10(32); C7H9(5)+H(25)(+M)=>C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.510e+00 -1.722e-01 3.431e-03 -1.688e-02 / CHEB/ 2.040e+00 -8.049e-02 2.919e-02 2.682e-02 / CHEB/ 2.281e-01 2.316e-02 -2.691e-02 1.185e-02 / CHEB/ -2.334e-02 5.564e-02 -3.585e-02 -5.340e-03 / CHEB/ -4.548e-02 5.057e-02 -1.382e-02 -8.576e-03 / CHEB/ -2.807e-02 2.439e-02 3.016e-03 -6.193e-03 /

288.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+4.5	+5.0	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+2.5	+3.9	+4.6	+4.8

Chebyshev(coeffs=[[9.37211,-0.858226,0.0296859,-0.0157328],[1.49909,0.0362959,-0.172239,0.0456367],[0.181768,0.219991,-0.0721815,-0.044587],[-0.0332632,0.106613,-0.00263412,-0.0221209],[-0.0610582,0.064559,0.0209922,-0.000422881],[-0.0488246,0.0299371,0.0193832,0.000392756]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.59
S298 (cal/mol*K) = -29.17
G298 (kcal/mol) = -26.89

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(33); H(25), C7H10(33); C7H9(5)+H(25)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.372e+00 -8.582e-01 2.969e-02 -1.573e-02 / CHEB/ 1.499e+00 3.630e-02 -1.722e-01 4.564e-02 / CHEB/ 1.818e-01 2.200e-01 -7.218e-02 -4.459e-02 / CHEB/ -3.326e-02 1.066e-01 -2.634e-03 -2.212e-02 / CHEB/ -6.106e-02 6.456e-02 2.099e-02 -4.229e-04 / CHEB/ -4.882e-02 2.994e-02 1.938e-02 3.928e-04 /

289.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+0.0	+0.8	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-2.0	-0.1	+0.7	+1.1

Chebyshev(coeffs=[[4.56784,-0.171589,0.0067172,-0.0153503],[2.34346,-0.0812046,0.0240296,0.0265858],[0.316198,0.0294089,-0.0320603,0.0100319],[-0.0127657,0.0631938,-0.035037,-0.00683078],[-0.0475075,0.0524411,-0.0107824,-0.00917791],[-0.028317,0.0213507,0.00515337,-0.00605988]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.19
S298 (cal/mol*K) = -23.55
G298 (kcal/mol) = -5.17

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(34); H(25), C7H10(34); C7H9(5)+H(25)(+M)=>C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.568e+00 -1.716e-01 6.717e-03 -1.535e-02 / CHEB/ 2.343e+00 -8.120e-02 2.403e-02 2.659e-02 / CHEB/ 3.162e-01 2.941e-02 -3.206e-02 1.003e-02 / CHEB/ -1.277e-02 6.319e-02 -3.504e-02 -6.831e-03 / CHEB/ -4.751e-02 5.244e-02 -1.078e-02 -9.178e-03 / CHEB/ -2.832e-02 2.135e-02 5.153e-03 -6.060e-03 /

290.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.1	+2.5	+3.3	+3.3
log₁₀(k(10 bar)/[mole,m,s])	+0.0	+2.0	+2.9	+3.2

Chebyshev(coeffs=[[6.80502,-0.379334,0.044087,-0.0277009],[2.36888,-0.19125,-0.0511362,0.0477971],[0.337545,0.108517,-0.101987,0.0055699],[-0.0785967,0.178576,-0.043435,-0.0286098],[-0.112773,0.104179,0.0268592,-0.0241295],[-0.0690706,0.0193251,0.0418934,-0.0016104]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.89
S298 (cal/mol*K) = -10.37
G298 (kcal/mol) = -6.80

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(35); H(25), C7H10(35); C7H9(5)+H(25)(+M)=>C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.805e+00 -3.793e-01 4.409e-02 -2.770e-02 / CHEB/ 2.369e+00 -1.912e-01 -5.114e-02 4.780e-02 / CHEB/ 3.375e-01 1.085e-01 -1.020e-01 5.570e-03 / CHEB/ -7.860e-02 1.786e-01 -4.344e-02 -2.861e-02 / CHEB/ -1.128e-01 1.042e-01 2.686e-02 -2.413e-02 / CHEB/ -6.907e-02 1.933e-02 4.189e-02 -1.610e-03 /

291.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	+1.1	+4.1	+5.5
log₁₀(k(10 bar)/[mole,m,s])	-7.6	+0.9	+4.0	+5.5

Chebyshev(coeffs=[[-0.279701,-0.349276,0.0686644,0.00502907],[11.4866,0.174764,-0.110712,0.0137916],[0.286535,0.122953,-0.0172896,-0.0213186],[0.0236126,0.0411257,0.0205013,-0.0154477],[-0.0101082,-0.00806187,0.0171397,-0.000414656],[-0.0040113,-0.0172989,0.00351424,0.00501144]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.59
S298 (cal/mol*K) = 2.01
G298 (kcal/mol) = 31.99

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(36); H(25), C7H10(36); C7H9(5)+H(25)(+M)=>C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.797e-01 -3.493e-01 6.866e-02 5.029e-03 / CHEB/ 1.149e+01 1.748e-01 -1.107e-01 1.379e-02 / CHEB/ 2.865e-01 1.230e-01 -1.729e-02 -2.132e-02 / CHEB/ 2.361e-02 4.113e-02 2.050e-02 -1.545e-02 / CHEB/ -1.011e-02 -8.062e-03 1.714e-02 -4.147e-04 / CHEB/ -4.011e-03 -1.730e-02 3.514e-03 5.011e-03 /

292.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+2.1	+4.1	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+1.8	+4.0	+5.0

Chebyshev(coeffs=[[3.54366,-0.239775,0.0477988,-0.00265319],[7.05684,-0.0256875,-0.0620783,0.0156848],[0.457951,0.101742,-0.0488489,-0.00465392],[0.0208192,0.0855686,-0.00800649,-0.0153726],[-0.0326958,0.0254692,0.0160154,-0.0121242],[-0.0127477,-0.0104224,0.0139402,-0.00169729]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.76
S298 (cal/mol*K) = 1.02
G298 (kcal/mol) = 15.46

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(37); H(25), C7H10(37); C7H9(5)+H(25)(+M)=>C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.544e+00 -2.398e-01 4.780e-02 -2.653e-03 / CHEB/ 7.057e+00 -2.569e-02 -6.208e-02 1.568e-02 / CHEB/ 4.580e-01 1.017e-01 -4.885e-02 -4.654e-03 / CHEB/ 2.082e-02 8.557e-02 -8.006e-03 -1.537e-02 / CHEB/ -3.270e-02 2.547e-02 1.602e-02 -1.212e-02 / CHEB/ -1.275e-02 -1.042e-02 1.394e-02 -1.697e-03 /

293.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+3.5	+4.7	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+4.3	+5.5	+6.1

Chebyshev(coeffs=[[7.28092,1.7544,-0.0240683,-0.0331092],[3.38528,-0.00793781,0.0455679,0.0451702],[0.579279,0.0374544,-0.0477947,0.00255622],[-0.0366803,0.0844324,-0.0260934,-0.00852859],[-0.0960423,0.0530712,-0.0015685,-0.00934229],[-0.0259468,0.00946087,0.00831323,-0.00591761]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.85
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = 0.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(38); H(25), C7H10(38); C7H9(5)+H(25)(+M)=>C7H10(38)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.281e+00 1.754e+00 -2.407e-02 -3.311e-02 / CHEB/ 3.385e+00 -7.938e-03 4.557e-02 4.517e-02 / CHEB/ 5.793e-01 3.745e-02 -4.779e-02 2.556e-03 / CHEB/ -3.668e-02 8.443e-02 -2.609e-02 -8.529e-03 / CHEB/ -9.604e-02 5.307e-02 -1.568e-03 -9.342e-03 / CHEB/ -2.595e-02 9.461e-03 8.313e-03 -5.918e-03 /

294.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.4	+4.5	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+3.9	+5.1	+5.6

Chebyshev(coeffs=[[6.79038,1.24451,-0.230448,-0.0571317],[3.54967,0.178833,0.0710516,0.00345852],[0.501906,0.0773141,-0.0134076,0.0145551],[-0.0762755,0.136487,-0.00121589,-0.00488928],[-0.127297,0.0923134,0.0144307,-0.00716705],[-0.0488021,0.0177793,0.0117015,-0.00316627]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.85
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = 0.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(39); H(25), C7H10(39); C7H9(5)+H(25)(+M)=>C7H10(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.790e+00 1.245e+00 -2.304e-01 -5.713e-02 / CHEB/ 3.550e+00 1.788e-01 7.105e-02 3.459e-03 / CHEB/ 5.019e-01 7.731e-02 -1.341e-02 1.456e-02 / CHEB/ -7.628e-02 1.365e-01 -1.216e-03 -4.889e-03 / CHEB/ -1.273e-01 9.231e-02 1.443e-02 -7.167e-03 / CHEB/ -4.880e-02 1.778e-02 1.170e-02 -3.166e-03 /

295.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-4.0	-2.1	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-5.0	-2.7	-1.7

Chebyshev(coeffs=[[-4.05818,-1.47804,-0.202497,0.0325955],[8.55899,0.522676,-0.0801079,-0.0312715],[0.0711274,0.252921,0.0214083,-0.0178929],[-0.121844,0.177891,0.0317307,-0.0170408],[-0.0682828,0.104121,0.0298285,-0.0129953],[-0.035113,0.0342192,0.0197947,-0.00141624]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.51
S298 (cal/mol*K) = -1.84
G298 (kcal/mol) = 24.06

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(44); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.058e+00 -1.478e+00 -2.025e-01 3.260e-02 / CHEB/ 8.559e+00 5.227e-01 -8.011e-02 -3.127e-02 / CHEB/ 7.113e-02 2.529e-01 2.141e-02 -1.789e-02 / CHEB/ -1.218e-01 1.779e-01 3.173e-02 -1.704e-02 / CHEB/ -6.828e-02 1.041e-01 2.983e-02 -1.300e-02 / CHEB/ -3.511e-02 3.422e-02 1.979e-02 -1.416e-03 /

296.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-6.1	-3.5	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-6.9	-3.9	-2.6

Chebyshev(coeffs=[[-8.80276,-1.35454,-0.22979,0.0283689],[12.5708,0.661732,-0.052892,-0.0488769],[-0.119334,0.233177,0.0560132,-0.0191451],[-0.148232,0.128415,0.053086,-0.00990161],[-0.0658094,0.0701519,0.0317088,-0.0012476],[-0.0340784,0.0204543,0.0130516,0.0044452]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.56
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = 36.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(45); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.803e+00 -1.355e+00 -2.298e-01 2.837e-02 / CHEB/ 1.257e+01 6.617e-01 -5.289e-02 -4.888e-02 / CHEB/ -1.193e-01 2.332e-01 5.601e-02 -1.915e-02 / CHEB/ -1.482e-01 1.284e-01 5.309e-02 -9.902e-03 / CHEB/ -6.581e-02 7.015e-02 3.171e-02 -1.248e-03 / CHEB/ -3.408e-02 2.045e-02 1.305e-02 4.445e-03 /

297.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.9	-3.5	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-6.7	-3.9	-2.7

Chebyshev(coeffs=[[-8.21651,-1.37657,-0.223016,0.0264604],[11.9102,0.650756,-0.0622282,-0.0428753],[-0.129831,0.239039,0.0521439,-0.020257],[-0.155995,0.135212,0.0519833,-0.0120552],[-0.0696519,0.0737618,0.0323276,-0.00255531],[-0.0350768,0.0216897,0.013964,0.00422344]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.51
S298 (cal/mol*K) = 5.37
G298 (kcal/mol) = 34.91

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(46); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.217e+00 -1.377e+00 -2.230e-01 2.646e-02 / CHEB/ 1.191e+01 6.508e-01 -6.223e-02 -4.288e-02 / CHEB/ -1.298e-01 2.390e-01 5.214e-02 -2.026e-02 / CHEB/ -1.560e-01 1.352e-01 5.198e-02 -1.206e-02 / CHEB/ -6.965e-02 7.376e-02 3.233e-02 -2.555e-03 / CHEB/ -3.508e-02 2.169e-02 1.396e-02 4.223e-03 /

298.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.9	-10.0	-6.5	-5.0
log₁₀(k(10 bar)/[mole,m,s])	-22.8	-10.6	-6.8	-5.1

Chebyshev(coeffs=[[-15.3576,-1.11749,-0.285308,0.0252983],[16.6944,0.657773,0.0472387,-0.0756358],[-0.160689,0.173236,0.0705318,-0.00204662],[-0.14619,0.0798555,0.0486623,0.0057911],[-0.0616054,0.0478559,0.0236475,0.00415104],[-0.0341816,0.0140752,0.00745333,0.00386699]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.61
S298 (cal/mol*K) = 3.66
G298 (kcal/mol) = 51.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(47); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.536e+01 -1.117e+00 -2.853e-01 2.530e-02 / CHEB/ 1.669e+01 6.578e-01 4.724e-02 -7.564e-02 / CHEB/ -1.607e-01 1.732e-01 7.053e-02 -2.047e-03 / CHEB/ -1.462e-01 7.986e-02 4.866e-02 5.791e-03 / CHEB/ -6.161e-02 4.786e-02 2.365e-02 4.151e-03 / CHEB/ -3.418e-02 1.408e-02 7.453e-03 3.867e-03 /

299.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-2.2	-1.0	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-3.2	-1.7	-1.0

Chebyshev(coeffs=[[-0.155559,-1.55397,-0.187042,0.0393368],[5.3797,0.447897,-0.0888403,-0.0216785],[0.123919,0.229027,0.0105685,-0.0239066],[-0.126191,0.184587,0.0141147,-0.0145222],[-0.0774118,0.12728,0.0169736,-0.0127829],[-0.0414188,0.050981,0.0191065,-0.00639475]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.98
S298 (cal/mol*K) = -13.75
G298 (kcal/mol) = 10.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(48); H(25), C7H10(48); C7H9(5)+H(25)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.556e-01 -1.554e+00 -1.870e-01 3.934e-02 / CHEB/ 5.380e+00 4.479e-01 -8.884e-02 -2.168e-02 / CHEB/ 1.239e-01 2.290e-01 1.057e-02 -2.391e-02 / CHEB/ -1.262e-01 1.846e-01 1.411e-02 -1.452e-02 / CHEB/ -7.741e-02 1.273e-01 1.697e-02 -1.278e-02 / CHEB/ -4.142e-02 5.098e-02 1.911e-02 -6.395e-03 /

300.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-3.3	-1.5	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-4.3	-2.2	-1.2

Chebyshev(coeffs=[[-3.11501,-1.48676,-0.201522,0.0345832],[8.16071,0.509821,-0.0799826,-0.031711],[0.073592,0.250926,0.0191717,-0.0179581],[-0.120627,0.180658,0.0289847,-0.0165648],[-0.069061,0.10758,0.0286011,-0.0135414],[-0.0360934,0.0360507,0.0201216,-0.00228719]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.98
S298 (cal/mol*K) = -13.75
G298 (kcal/mol) = 10.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(49); H(25), C7H10(49); C7H9(5)+H(25)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.115e+00 -1.487e+00 -2.015e-01 3.458e-02 / CHEB/ 8.161e+00 5.098e-01 -7.998e-02 -3.171e-02 / CHEB/ 7.359e-02 2.509e-01 1.917e-02 -1.796e-02 / CHEB/ -1.206e-01 1.807e-01 2.898e-02 -1.656e-02 / CHEB/ -6.906e-02 1.076e-01 2.860e-02 -1.354e-02 / CHEB/ -3.609e-02 3.605e-02 2.012e-02 -2.287e-03 /

301.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+2.1	+2.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+0.9	+2.2	+2.2

Chebyshev(coeffs=[[4.34242,-2.247,-0.112077,-0.0102191],[4.32847,0.804293,-0.285651,0.0141794],[0.400407,0.590987,0.000316941,-0.0622537],[-0.340251,0.160394,0.0889091,-0.00616757],[-0.26563,-0.0200216,0.0425855,0.018121],[-0.11181,-0.0432826,-0.00115628,0.00491398]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.28
S298 (cal/mol*K) = -14.48
G298 (kcal/mol) = 5.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(50); H(25), C7H10(50); C7H9(5)+H(25)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.342e+00 -2.247e+00 -1.121e-01 -1.022e-02 / CHEB/ 4.328e+00 8.043e-01 -2.857e-01 1.418e-02 / CHEB/ 4.004e-01 5.910e-01 3.169e-04 -6.225e-02 / CHEB/ -3.403e-01 1.604e-01 8.891e-02 -6.168e-03 / CHEB/ -2.656e-01 -2.002e-02 4.259e-02 1.812e-02 / CHEB/ -1.118e-01 -4.328e-02 -1.156e-03 4.914e-03 /

302.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	-2.3	-1.4	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-3.3	-2.1	-1.6

Chebyshev(coeffs=[[0.999147,-1.62152,-0.177776,0.0340023],[3.62292,0.420372,-0.0877442,-0.00435185],[0.198072,0.206775,0.00139687,-0.0257172],[-0.115147,0.173355,0.00496496,-0.0166568],[-0.0670365,0.134476,0.00807519,-0.011221],[-0.0410844,0.0636421,0.0150497,-0.00686]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.28
S298 (cal/mol*K) = -14.48
G298 (kcal/mol) = 5.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(51); H(25), C7H10(51); C7H9(5)+H(25)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.991e-01 -1.622e+00 -1.778e-01 3.400e-02 / CHEB/ 3.623e+00 4.204e-01 -8.774e-02 -4.352e-03 / CHEB/ 1.981e-01 2.068e-01 1.397e-03 -2.572e-02 / CHEB/ -1.151e-01 1.734e-01 4.965e-03 -1.666e-02 / CHEB/ -6.704e-02 1.345e-01 8.075e-03 -1.122e-02 / CHEB/ -4.108e-02 6.364e-02 1.505e-02 -6.860e-03 /

303.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.1	-0.2	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-2.6	-1.2	-1.1

Chebyshev(coeffs=[[1.04417,-1.99802,-0.112879,0.0011477],[4.62734,0.100867,-0.132167,-0.00142922],[0.293157,0.415113,-0.121684,-0.00239243],[-0.323249,0.418966,0.00970793,-0.0350788],[-0.262433,0.158951,0.105871,-0.0254139],[-0.135641,-0.0319441,0.058545,0.0159533]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.88
S298 (cal/mol*K) = -14.48
G298 (kcal/mol) = 7.19

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(52); H(25), C7H10(52); C7H9(5)+H(25)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.044e+00 -1.998e+00 -1.129e-01 1.148e-03 / CHEB/ 4.627e+00 1.009e-01 -1.322e-01 -1.429e-03 / CHEB/ 2.932e-01 4.151e-01 -1.217e-01 -2.392e-03 / CHEB/ -3.232e-01 4.190e-01 9.708e-03 -3.508e-02 / CHEB/ -2.624e-01 1.590e-01 1.059e-01 -2.541e-02 / CHEB/ -1.356e-01 -3.194e-02 5.854e-02 1.595e-02 /

304.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+1.2	+2.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-3.4	+0.2	+1.5	+2.2

Chebyshev(coeffs=[[3.99593,-1.59728,-0.180271,0.0349442],[4.33696,0.429158,-0.0930781,-0.0119087],[0.233012,0.217467,0.00401716,-0.0265902],[-0.109316,0.178666,0.00864044,-0.0158698],[-0.071858,0.131199,0.0121489,-0.0104598],[-0.0445818,0.0556236,0.0175551,-0.00525127]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.54
S298 (cal/mol*K) = -4.87
G298 (kcal/mol) = 6.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(53); H(25), C7H10(53); C7H9(5)+H(25)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.996e+00 -1.597e+00 -1.803e-01 3.494e-02 / CHEB/ 4.337e+00 4.292e-01 -9.308e-02 -1.191e-02 / CHEB/ 2.330e-01 2.175e-01 4.017e-03 -2.659e-02 / CHEB/ -1.093e-01 1.787e-01 8.640e-03 -1.587e-02 / CHEB/ -7.186e-02 1.312e-01 1.215e-02 -1.046e-02 / CHEB/ -4.458e-02 5.562e-02 1.756e-02 -5.251e-03 /

305.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-1.3	+0.8	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-2.0	+0.4	+1.5

Chebyshev(coeffs=[[-0.488117,-1.38365,-0.16798,0.0311374],[7.72583,0.679131,-0.0352017,-0.0428541],[0.395624,0.31817,0.0337309,-0.0241183],[-0.0174538,0.153618,0.0178889,-0.0126147],[-0.0477989,0.0423836,0.0107625,-0.0077],[-0.0376109,-0.0202776,0.00805,0.00152432]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.87
S298 (cal/mol*K) = -4.14
G298 (kcal/mol) = 17.11

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(54); H(25), C7H10(54); C7H9(5)+H(25)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.881e-01 -1.384e+00 -1.680e-01 3.114e-02 / CHEB/ 7.726e+00 6.791e-01 -3.520e-02 -4.285e-02 / CHEB/ 3.956e-01 3.182e-01 3.373e-02 -2.412e-02 / CHEB/ -1.745e-02 1.536e-01 1.789e-02 -1.261e-02 / CHEB/ -4.780e-02 4.238e-02 1.076e-02 -7.700e-03 / CHEB/ -3.761e-02 -2.028e-02 8.050e-03 1.524e-03 /

306.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+0.0	+1.4	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-1.0	+0.7	+1.5

Chebyshev(coeffs=[[2.16211,-1.56081,-0.18384,0.037687],[5.35853,0.452975,-0.0904153,-0.0185187],[0.27062,0.231129,0.0107338,-0.0253786],[-0.0983713,0.185155,0.0140924,-0.0148305],[-0.0700043,0.129421,0.0163335,-0.0120894],[-0.0448011,0.0526048,0.0190643,-0.00630757]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.96
S298 (cal/mol*K) = -8.98
G298 (kcal/mol) = 10.64

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(55); H(25), C7H10(55); C7H9(5)+H(25)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.162e+00 -1.561e+00 -1.838e-01 3.769e-02 / CHEB/ 5.359e+00 4.530e-01 -9.042e-02 -1.852e-02 / CHEB/ 2.706e-01 2.311e-01 1.073e-02 -2.538e-02 / CHEB/ -9.837e-02 1.852e-01 1.409e-02 -1.483e-02 / CHEB/ -7.000e-02 1.294e-01 1.633e-02 -1.209e-02 / CHEB/ -4.480e-02 5.260e-02 1.906e-02 -6.308e-03 /

307.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-1.5	+0.8	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-2.4	+0.3	+1.4

Chebyshev(coeffs=[[-3.06667,-1.41725,-0.209916,0.0236578],[10.7894,0.617313,-0.0760202,-0.0323288],[-0.00325979,0.254279,0.042036,-0.0209308],[-0.150576,0.153262,0.0477295,-0.0160575],[-0.0919493,0.0827512,0.033353,-0.0061248],[-0.0127565,0.0234999,0.0163397,0.00340681]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.18
S298 (cal/mol*K) = -3.24
G298 (kcal/mol) = 12.15

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(56); H(25), C7H10(56); C7H9(5)+H(25)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.067e+00 -1.417e+00 -2.099e-01 2.366e-02 / CHEB/ 1.079e+01 6.173e-01 -7.602e-02 -3.233e-02 / CHEB/ -3.260e-03 2.543e-01 4.204e-02 -2.093e-02 / CHEB/ -1.506e-01 1.533e-01 4.773e-02 -1.606e-02 / CHEB/ -9.195e-02 8.275e-02 3.335e-02 -6.125e-03 / CHEB/ -1.276e-02 2.350e-02 1.634e-02 3.407e-03 /

308.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+3.0	+3.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	+2.4	+3.4	+3.9	+4.0

Chebyshev(coeffs=[[8.07485,1.28823,-0.00172477,-0.0491916],[1.10585,-0.160945,-0.109749,0.0825703],[0.136372,0.145822,-0.0901733,-0.0165505],[-0.0958197,0.13435,-0.0177085,-0.0380123],[-0.0933604,0.0807762,0.0222485,-0.00934352],[-0.0460514,0.0291939,0.0157133,0.00266977]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.27
S298 (cal/mol*K) = -11.01
G298 (kcal/mol) = -9.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(57); H(25), C7H10(57); C7H9(5)+H(25)(+M)=>C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.075e+00 1.288e+00 -1.725e-03 -4.919e-02 / CHEB/ 1.106e+00 -1.609e-01 -1.097e-01 8.257e-02 / CHEB/ 1.364e-01 1.458e-01 -9.017e-02 -1.655e-02 / CHEB/ -9.582e-02 1.343e-01 -1.771e-02 -3.801e-02 / CHEB/ -9.336e-02 8.078e-02 2.225e-02 -9.344e-03 / CHEB/ -4.605e-02 2.919e-02 1.571e-02 2.670e-03 /

309.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+2.4	+4.1	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+1.8	+3.7	+4.5

Chebyshev(coeffs=[[3.39496,-1.5498,-0.361597,-0.0687522],[7.05068,0.869599,0.111533,-0.000791901],[0.27739,0.218622,0.00240781,0.00698785],[-0.116481,0.0498806,-0.00473611,-0.0124011],[-0.0825018,0.029579,0.0252236,-0.00720679],[-0.0181126,0.0107401,0.0230189,0.00245027]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.21
S298 (cal/mol*K) = -0.73
G298 (kcal/mol) = 15.43

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(58); H(25), C7H10(58); C7H9(5)+H(25)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.395e+00 -1.550e+00 -3.616e-01 -6.875e-02 / CHEB/ 7.051e+00 8.696e-01 1.115e-01 -7.919e-04 / CHEB/ 2.774e-01 2.186e-01 2.408e-03 6.988e-03 / CHEB/ -1.165e-01 4.988e-02 -4.736e-03 -1.240e-02 / CHEB/ -8.250e-02 2.958e-02 2.522e-02 -7.207e-03 / CHEB/ -1.811e-02 1.074e-02 2.302e-02 2.450e-03 /

310.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	+1.4	+2.6	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+0.3	+2.1	+2.3

Chebyshev(coeffs=[[3.01599,-2.84542,-0.194442,0.00321927],[5.48592,1.84589,-0.116523,-0.0293811],[0.572783,0.702314,0.0933743,-0.0225931],[-0.316856,0.0711809,0.0670383,0.00574569],[-0.23908,-0.0726651,0.0101165,0.00657719],[-0.104152,-0.0525144,-0.0048987,-0.000717849]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.66
S298 (cal/mol*K) = -4.77
G298 (kcal/mol) = -7.23

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(59); H(25), C7H10(59); C7H9(5)+H(25)(+M)=>C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.016e+00 -2.845e+00 -1.944e-01 3.219e-03 / CHEB/ 5.486e+00 1.846e+00 -1.165e-01 -2.938e-02 / CHEB/ 5.728e-01 7.023e-01 9.337e-02 -2.259e-02 / CHEB/ -3.169e-01 7.118e-02 6.704e-02 5.746e-03 / CHEB/ -2.391e-01 -7.267e-02 1.012e-02 6.577e-03 / CHEB/ -1.042e-01 -5.251e-02 -4.899e-03 -7.178e-04 /

311.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+4.0	+5.9	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+3.5	+5.5	+6.5

Chebyshev(coeffs=[[5.56662,-0.85063,-0.030101,0.00700225],[6.52943,0.212784,-0.179365,-0.0309594],[0.508491,0.28754,-0.00121691,-0.0261285],[-0.0526707,0.125123,0.0389151,-0.00571807],[-0.067774,0.0168904,0.0340143,0.00104131],[-0.017309,-0.0195069,0.0125311,0.00267772]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.92
S298 (cal/mol*K) = 16.43
G298 (kcal/mol) = 6.02

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(60); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.567e+00 -8.506e-01 -3.010e-02 7.002e-03 / CHEB/ 6.529e+00 2.128e-01 -1.794e-01 -3.096e-02 / CHEB/ 5.085e-01 2.875e-01 -1.217e-03 -2.613e-02 / CHEB/ -5.267e-02 1.251e-01 3.892e-02 -5.718e-03 / CHEB/ -6.777e-02 1.689e-02 3.401e-02 1.041e-03 / CHEB/ -1.731e-02 -1.951e-02 1.253e-02 2.678e-03 /

312.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-2.0	+1.9	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-2.3	+1.8	+3.8

Chebyshev(coeffs=[[-7.02999,-0.88099,-0.197646,0.0109189],[16.6172,0.669545,0.0143987,-0.0762489],[0.270117,0.0989972,0.0800118,0.00603832],[-0.0487377,0.00796676,0.0274079,0.0124824],[-0.0403511,-0.0151837,0.00211407,0.0095178],[-0.0206582,-0.00972339,-0.00384198,0.00226214]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.90
S298 (cal/mol*K) = 23.63
G298 (kcal/mol) = 40.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(61); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(61)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.030e+00 -8.810e-01 -1.976e-01 1.092e-02 / CHEB/ 1.662e+01 6.695e-01 1.440e-02 -7.625e-02 / CHEB/ 2.701e-01 9.900e-02 8.001e-02 6.038e-03 / CHEB/ -4.874e-02 7.967e-03 2.741e-02 1.248e-02 / CHEB/ -4.035e-02 -1.518e-02 2.114e-03 9.518e-03 / CHEB/ -2.066e-02 -9.723e-03 -3.842e-03 2.262e-03 /

313.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+4.0	+5.9	+6.7
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+3.4	+5.6	+6.5

Chebyshev(coeffs=[[4.69144,-0.89305,-0.0568402,0.00773536],[7.66878,0.294732,-0.158749,-0.0383564],[0.342836,0.273724,0.00686618,-0.018761],[-0.0778313,0.0986729,0.0405443,-0.007177],[-0.072692,0.00569539,0.0320702,0.00105114],[-0.0153093,-0.0175887,0.00983751,0.00410653]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.87
S298 (cal/mol*K) = 31.48
G298 (kcal/mol) = 7.49

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H6(62); H(25), C2H4(115); C7H9(5)+H(25)(+M)=>C2H4(115)+C5H6(62)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.691e+00 -8.931e-01 -5.684e-02 7.735e-03 / CHEB/ 7.669e+00 2.947e-01 -1.587e-01 -3.836e-02 / CHEB/ 3.428e-01 2.737e-01 6.866e-03 -1.876e-02 / CHEB/ -7.783e-02 9.867e-02 4.054e-02 -7.177e-03 / CHEB/ -7.269e-02 5.695e-03 3.207e-02 1.051e-03 / CHEB/ -1.531e-02 -1.759e-02 9.838e-03 4.107e-03 /

314.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+3.4	+4.3	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+3.6	+4.9	+5.3

Chebyshev(coeffs=[[7.38699,0.0570239,-0.0173072,-0.00945029],[2.74998,1.05349,-0.125346,0.037819],[0.403875,0.468688,-0.106824,-0.0918826],[-0.0743875,0.110421,0.0192464,-0.0231781],[-0.0964346,0.0126365,0.0418866,0.0263888],[-0.0273339,-0.0234319,0.0076762,0.0126854]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.88
S298 (cal/mol*K) = -7.79
G298 (kcal/mol) = -31.55

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(63); H(25), C7H10(63); C7H9(5)+H(25)(+M)=>C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.387e+00 5.702e-02 -1.731e-02 -9.450e-03 / CHEB/ 2.750e+00 1.053e+00 -1.253e-01 3.782e-02 / CHEB/ 4.039e-01 4.687e-01 -1.068e-01 -9.188e-02 / CHEB/ -7.439e-02 1.104e-01 1.925e-02 -2.318e-02 / CHEB/ -9.643e-02 1.264e-02 4.189e-02 2.639e-02 / CHEB/ -2.733e-02 -2.343e-02 7.676e-03 1.269e-02 /

315.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	+1.2	+3.9	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-8.0	+0.8	+3.7	+5.1

Chebyshev(coeffs=[[0.679508,-1.63071,-0.0718653,0.0236272],[9.56266,1.45554,-0.123447,-0.0713335],[1.07561,0.062939,-0.00921435,-0.0227579],[-0.185445,-0.133247,0.0707963,0.0213226],[-0.0858691,0.0770959,0.0559337,1.75653e-05],[0.00222014,0.0116835,-0.0241992,-0.00397378]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.62
S298 (cal/mol*K) = 0.61
G298 (kcal/mol) = 10.44

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(64); H(25), C7H10(64); C7H9(5)+H(25)(+M)=>C7H10(64)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.795e-01 -1.631e+00 -7.187e-02 2.363e-02 / CHEB/ 9.563e+00 1.456e+00 -1.234e-01 -7.133e-02 / CHEB/ 1.076e+00 6.294e-02 -9.214e-03 -2.276e-02 / CHEB/ -1.854e-01 -1.332e-01 7.080e-02 2.132e-02 / CHEB/ -8.587e-02 7.710e-02 5.593e-02 1.757e-05 / CHEB/ 2.220e-03 1.168e-02 -2.420e-02 -3.974e-03 /

316.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+2.0	+3.9	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+1.2	+3.7	+4.9

Chebyshev(coeffs=[[4.93391,-1.91485,-0.0664318,-0.00818988],[4.79155,1.14671,-0.156989,0.0272678],[1.06867,0.672235,0.0387779,-0.0774722],[0.140292,0.0905896,0.0626846,-0.0225093],[-0.00125057,-0.116638,-0.00172989,0.0191906],[-0.0138616,-0.0983706,-0.0150569,0.0133183]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.48
S298 (cal/mol*K) = -2.17
G298 (kcal/mol) = -9.83

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(65); H(25), C7H10(65); C7H9(5)+H(25)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.934e+00 -1.915e+00 -6.643e-02 -8.190e-03 / CHEB/ 4.792e+00 1.147e+00 -1.570e-01 2.727e-02 / CHEB/ 1.069e+00 6.722e-01 3.878e-02 -7.747e-02 / CHEB/ 1.403e-01 9.059e-02 6.268e-02 -2.251e-02 / CHEB/ -1.251e-03 -1.166e-01 -1.730e-03 1.919e-02 / CHEB/ -1.386e-02 -9.837e-02 -1.506e-02 1.332e-02 /

317.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-1.3	+1.6	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-1.9	+1.5	+3.2

Chebyshev(coeffs=[[-0.533533,-1.9687,-0.111997,0.0288188],[8.27468,1.3175,-0.130186,-0.0571037],[1.26066,0.67232,0.102741,-0.0482518],[0.132506,0.0723037,0.048439,0.00515759],[-0.0037048,-0.141548,-0.0102032,0.0118284],[0.0176481,-0.122336,-0.0107947,0.0073596]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.42
S298 (cal/mol*K) = -0.49
G298 (kcal/mol) = 1.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(66); H(25), C7H10(66); C7H9(5)+H(25)(+M)=>C7H10(66)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.335e-01 -1.969e+00 -1.120e-01 2.882e-02 / CHEB/ 8.275e+00 1.317e+00 -1.302e-01 -5.710e-02 / CHEB/ 1.261e+00 6.723e-01 1.027e-01 -4.825e-02 / CHEB/ 1.325e-01 7.230e-02 4.844e-02 5.158e-03 / CHEB/ -3.705e-03 -1.415e-01 -1.020e-02 1.183e-02 / CHEB/ 1.765e-02 -1.223e-01 -1.079e-02 7.360e-03 /

318.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+0.1	+2.3	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-0.7	+2.1	+3.7

Chebyshev(coeffs=[[2.55286,-1.96277,-0.106074,0.00700401],[5.72392,1.15119,-0.178536,-0.0091866],[1.06381,0.685277,0.10208,-0.071097],[0.194467,0.166681,0.0999374,-0.00299101],[0.0905326,-0.0460912,0.00729573,0.0164137],[0.054742,-0.108367,-0.0284279,0.00500923]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.68
S298 (cal/mol*K) = -3.27
G298 (kcal/mol) = -18.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(67); H(25), C7H10(67); C7H9(5)+H(25)(+M)=>C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.553e+00 -1.963e+00 -1.061e-01 7.004e-03 / CHEB/ 5.724e+00 1.151e+00 -1.785e-01 -9.187e-03 / CHEB/ 1.064e+00 6.853e-01 1.021e-01 -7.110e-02 / CHEB/ 1.945e-01 1.667e-01 9.994e-02 -2.991e-03 / CHEB/ 9.053e-02 -4.609e-02 7.296e-03 1.641e-02 / CHEB/ 5.474e-02 -1.084e-01 -2.843e-02 5.009e-03 /

319.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+1.1	+3.4	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+0.5	+3.1	+4.2

Chebyshev(coeffs=[[2.8372,-1.83296,-0.0563956,0.0110159],[6.36603,1.30655,-0.163707,-0.0104285],[1.16262,0.511818,0.0367668,-0.0766447],[0.0305284,-0.0983101,0.0353461,-0.00123586],[-0.0847983,-0.133902,0.0154205,0.0287321],[-0.0340107,-0.00522025,0.0180633,0.0109285]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.42
S298 (cal/mol*K) = -0.49
G298 (kcal/mol) = 1.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(68); H(25), C7H10(68); C7H9(5)+H(25)(+M)=>C7H10(68)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.837e+00 -1.833e+00 -5.640e-02 1.102e-02 / CHEB/ 6.366e+00 1.307e+00 -1.637e-01 -1.043e-02 / CHEB/ 1.163e+00 5.118e-01 3.677e-02 -7.664e-02 / CHEB/ 3.053e-02 -9.831e-02 3.535e-02 -1.236e-03 / CHEB/ -8.480e-02 -1.339e-01 1.542e-02 2.873e-02 / CHEB/ -3.401e-02 -5.220e-03 1.806e-02 1.093e-02 /

320.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+5.2	+6.1	+6.2
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+4.1	+5.4	+5.9

Chebyshev(coeffs=[[8.64808,-2.01846,-0.042382,0.0194367],[3.27748,0.77039,-0.250271,0.0344202],[0.359255,0.505046,-0.0423451,-0.0856364],[-0.165515,0.182988,0.0836409,-0.0281383],[-0.0861679,0.0441947,0.0423892,0.0149464],[-0.00908084,0.00737481,-0.00713157,0.00463664]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.68
S298 (cal/mol*K) = -3.27
G298 (kcal/mol) = -18.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(69); H(25), C7H10(69); C7H9(5)+H(25)(+M)=>C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.648e+00 -2.018e+00 -4.238e-02 1.944e-02 / CHEB/ 3.277e+00 7.704e-01 -2.503e-01 3.442e-02 / CHEB/ 3.593e-01 5.050e-01 -4.235e-02 -8.564e-02 / CHEB/ -1.655e-01 1.830e-01 8.364e-02 -2.814e-02 / CHEB/ -8.617e-02 4.419e-02 4.239e-02 1.495e-02 / CHEB/ -9.081e-03 7.375e-03 -7.132e-03 4.637e-03 /

321.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+2.0	+4.0	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-4.9	+1.5	+3.7	+4.7

Chebyshev(coeffs=[[2.60571,-0.923278,-0.0454677,0.00411508],[7.88798,0.324011,-0.170648,-0.0330086],[0.381295,0.282496,0.0102308,-0.0211893],[-0.0782522,0.107763,0.0398423,-0.00725881],[-0.071647,0.00447086,0.0333095,0.00126677],[-0.0184038,-0.0219644,0.0103019,0.00474154]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.62
S298 (cal/mol*K) = 0.61
G298 (kcal/mol) = 10.44

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(70); H(25), C7H10(70); C7H9(5)+H(25)(+M)=>C7H10(70)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.606e+00 -9.233e-01 -4.547e-02 4.115e-03 / CHEB/ 7.888e+00 3.240e-01 -1.706e-01 -3.301e-02 / CHEB/ 3.813e-01 2.825e-01 1.023e-02 -2.119e-02 / CHEB/ -7.825e-02 1.078e-01 3.984e-02 -7.259e-03 / CHEB/ -7.165e-02 4.471e-03 3.331e-02 1.267e-03 / CHEB/ -1.840e-02 -2.196e-02 1.030e-02 4.742e-03 /

322.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+1.5	+3.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+0.9	+3.2	+4.3

Chebyshev(coeffs=[[4.0003,-0.984001,0.0783761,-0.0306707],[5.38032,0.304501,-0.300428,0.0216904],[0.864051,0.33308,-0.0112671,-0.0577858],[0.0922029,0.186694,0.0466567,-0.0120538],[-0.0137113,0.0159301,0.0453377,0.0129114],[-0.00585485,-0.0537182,0.017327,0.00947786]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.14
S298 (cal/mol*K) = -6.88
G298 (kcal/mol) = -9.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(71); H(25), C7H10(71); C7H9(5)+H(25)(+M)=>C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.000e+00 -9.840e-01 7.838e-02 -3.067e-02 / CHEB/ 5.380e+00 3.045e-01 -3.004e-01 2.169e-02 / CHEB/ 8.641e-01 3.331e-01 -1.127e-02 -5.779e-02 / CHEB/ 9.220e-02 1.867e-01 4.666e-02 -1.205e-02 / CHEB/ -1.371e-02 1.593e-02 4.534e-02 1.291e-02 / CHEB/ -5.855e-03 -5.372e-02 1.733e-02 9.478e-03 /

323.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.0	-5.2	+0.4	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-23.4	-5.4	+0.3	+2.9

Chebyshev(coeffs=[[-15.8482,-0.450752,-0.219068,-0.051714],[25.1122,0.307543,0.120909,0.00163212],[-0.107872,0.0880062,0.0470919,0.0134833],[-0.129371,-0.0179573,0.00232788,0.0102447],[-0.0725568,-0.00482621,-0.00202536,0.000932919],[-0.0384951,0.000223322,-0.00123877,-0.00119188]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.95
S298 (cal/mol*K) = 40.93
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H6(62); H(25), C2H4(72); C7H9(5)+H(25)(+M)=>C5H6(62)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.585e+01 -4.508e-01 -2.191e-01 -5.171e-02 / CHEB/ 2.511e+01 3.075e-01 1.209e-01 1.632e-03 / CHEB/ -1.079e-01 8.801e-02 4.709e-02 1.348e-02 / CHEB/ -1.294e-01 -1.796e-02 2.328e-03 1.024e-02 / CHEB/ -7.256e-02 -4.826e-03 -2.025e-03 9.329e-04 / CHEB/ -3.850e-02 2.233e-04 -1.239e-03 -1.192e-03 /

324.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.4	-8.4	-1.2	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-30.6	-8.5	-1.2	+2.2

Chebyshev(coeffs=[[-22.6657,-0.317139,-0.174865,-0.0593865],[31.0014,0.216776,0.105384,0.0218827],[0.0586128,0.0620495,0.0359184,0.0135174],[-0.0723429,-0.0171025,-0.00320721,0.00477004],[-0.0695747,-0.00130391,-0.00114136,-0.000477145],[-0.0327996,0.00115095,-0.000163725,-0.000750161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 100.38
S298 (cal/mol*K) = 44.83
G298 (kcal/mol) = 87.02

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H6(74); H(25), C3H4(73); C7H9(5)+H(25)(+M)=>C4H6(74)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.267e+01 -3.171e-01 -1.749e-01 -5.939e-02 / CHEB/ 3.100e+01 2.168e-01 1.054e-01 2.188e-02 / CHEB/ 5.861e-02 6.205e-02 3.592e-02 1.352e-02 / CHEB/ -7.234e-02 -1.710e-02 -3.207e-03 4.770e-03 / CHEB/ -6.957e-02 -1.304e-03 -1.141e-03 -4.771e-04 / CHEB/ -3.280e-02 1.151e-03 -1.637e-04 -7.502e-04 /

325.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	-0.2	+1.9	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-0.8	+1.6	+2.8

Chebyshev(coeffs=[[0.090945,-1.22488,-0.220339,-0.0384993],[8.38921,0.665698,0.0159413,-0.00372408],[0.333318,0.277697,0.0229829,-0.00042673],[-0.0358732,0.0747257,0.0224028,-0.0110358],[-0.0379929,0.0103547,0.026485,-0.00426931],[0.00230827,-0.00772243,0.0144464,0.00377797]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.45
S298 (cal/mol*K) = 1.48
G298 (kcal/mol) = 20.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(75); H(25), C7H10(75); C7H9(5)+H(25)(+M)=>C7H10(75)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.094e-02 -1.225e+00 -2.203e-01 -3.850e-02 / CHEB/ 8.389e+00 6.657e-01 1.594e-02 -3.724e-03 / CHEB/ 3.333e-01 2.777e-01 2.298e-02 -4.267e-04 / CHEB/ -3.587e-02 7.473e-02 2.240e-02 -1.104e-02 / CHEB/ -3.799e-02 1.035e-02 2.649e-02 -4.269e-03 / CHEB/ 2.308e-03 -7.722e-03 1.445e-02 3.778e-03 /

326.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+2.3	+4.0	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+1.8	+3.6	+4.4

Chebyshev(coeffs=[[3.86593,-0.866161,-0.0331209,0.00989811],[6.4027,0.20255,-0.179803,-0.0306535],[0.354579,0.263593,-0.0060253,-0.0249901],[-0.0925649,0.120652,0.0331931,-0.0066034],[-0.0848522,0.0211395,0.0321067,-0.000373164],[-0.027203,-0.0133911,0.0124722,0.00168715]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.05
S298 (cal/mol*K) = -4.90
G298 (kcal/mol) = -1.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(76); H(25), C7H10(76); C7H9(5)+H(25)(+M)=>C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.866e+00 -8.662e-01 -3.312e-02 9.898e-03 / CHEB/ 6.403e+00 2.025e-01 -1.798e-01 -3.065e-02 / CHEB/ 3.546e-01 2.636e-01 -6.025e-03 -2.499e-02 / CHEB/ -9.256e-02 1.207e-01 3.319e-02 -6.603e-03 / CHEB/ -8.485e-02 2.114e-02 3.211e-02 -3.732e-04 / CHEB/ -2.720e-02 -1.339e-02 1.247e-02 1.687e-03 /

327.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+2.1	+3.1	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+0.9	+2.4	+3.0

Chebyshev(coeffs=[[5.39779,-2.17566,-0.0530297,-0.0236237],[3.39159,0.828978,-0.18758,0.0625717],[0.597822,0.717795,-0.0164205,-0.0537898],[-0.135196,0.294716,0.0858949,-0.0323135],[-0.168069,0.0507392,0.0567656,0.00774294],[-0.0601579,-0.0205563,0.00181291,0.00562121]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.06
S298 (cal/mol*K) = -13.02
G298 (kcal/mol) = -21.18

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(77); H(25), C7H10(77); C7H9(5)+H(25)(+M)=>C7H10(77)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.398e+00 -2.176e+00 -5.303e-02 -2.362e-02 / CHEB/ 3.392e+00 8.290e-01 -1.876e-01 6.257e-02 / CHEB/ 5.978e-01 7.178e-01 -1.642e-02 -5.379e-02 / CHEB/ -1.352e-01 2.947e-01 8.589e-02 -3.231e-02 / CHEB/ -1.681e-01 5.074e-02 5.677e-02 7.743e-03 / CHEB/ -6.016e-02 -2.056e-02 1.813e-03 5.621e-03 /

328.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+4.8	+5.7	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+4.2	+5.3	+5.7

Chebyshev(coeffs=[[8.5139,-0.74379,-0.000119493,-0.0300689],[3.05694,-0.0434059,-0.171363,0.0476479],[0.431421,0.237418,-0.0620974,-0.043578],[-0.0964365,0.149768,0.0230302,-0.0230662],[-0.104271,0.0595091,0.0322999,0.00379467],[-0.0392638,0.00375795,0.013788,0.00291639]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.16
S298 (cal/mol*K) = -17.34
G298 (kcal/mol) = -21.99

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(78); H(25), C7H10(78); C7H9(5)+H(25)(+M)=>C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.514e+00 -7.438e-01 -1.195e-04 -3.007e-02 / CHEB/ 3.057e+00 -4.341e-02 -1.714e-01 4.765e-02 / CHEB/ 4.314e-01 2.374e-01 -6.210e-02 -4.358e-02 / CHEB/ -9.644e-02 1.498e-01 2.303e-02 -2.307e-02 / CHEB/ -1.043e-01 5.951e-02 3.230e-02 3.795e-03 / CHEB/ -3.926e-02 3.758e-03 1.379e-02 2.916e-03 /

329.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.2	+5.8	+5.9	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+3.9	+5.3	+5.8	+5.6

Chebyshev(coeffs=[[10.4744,-0.380073,-0.0966273,-0.0251981],[1.1044,0.293388,-0.187043,0.0762266],[0.0401058,0.339734,-0.0535447,-0.0392098],[-0.159555,0.181783,0.0442217,-0.0402929],[-0.152486,0.0941144,0.0526156,0.00306714],[-0.106549,0.049181,0.0159201,0.0125223]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.08
S298 (cal/mol*K) = -10.24
G298 (kcal/mol) = -66.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(79); H(25), C7H10(79); C7H9(5)+H(25)(+M)=>C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.047e+01 -3.801e-01 -9.663e-02 -2.520e-02 / CHEB/ 1.104e+00 2.934e-01 -1.870e-01 7.623e-02 / CHEB/ 4.011e-02 3.397e-01 -5.354e-02 -3.921e-02 / CHEB/ -1.596e-01 1.818e-01 4.422e-02 -4.029e-02 / CHEB/ -1.525e-01 9.411e-02 5.262e-02 3.067e-03 / CHEB/ -1.065e-01 4.918e-02 1.592e-02 1.252e-02 /

330.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.4	+5.5	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.9	+5.3	+5.2

Chebyshev(coeffs=[[10.1065,-0.354373,-0.125693,-0.0242606],[0.997242,0.327941,-0.240111,0.0788561],[-0.00434108,0.334444,-0.0887871,-0.0401275],[-0.15658,0.163383,0.0216327,-0.0441421],[-0.132705,0.0882315,0.0383567,-0.00182534],[-0.0872296,0.0549318,0.0112999,0.00816544]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.20
S298 (cal/mol*K) = -7.20
G298 (kcal/mol) = -51.05

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(80); H(25), C7H10(80); C7H9(5)+H(25)(+M)=>C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.011e+01 -3.544e-01 -1.257e-01 -2.426e-02 / CHEB/ 9.972e-01 3.279e-01 -2.401e-01 7.886e-02 / CHEB/ -4.341e-03 3.344e-01 -8.879e-02 -4.013e-02 / CHEB/ -1.566e-01 1.634e-01 2.163e-02 -4.414e-02 / CHEB/ -1.327e-01 8.823e-02 3.836e-02 -1.825e-03 / CHEB/ -8.723e-02 5.493e-02 1.130e-02 8.165e-03 /

331.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.6	-3.7	+1.0	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-19.1	-3.9	+0.9	+3.1

Chebyshev(coeffs=[[-11.5812,-0.608269,-0.244749,-0.0306395],[20.8879,0.414629,0.113612,-0.0284177],[-0.000743073,0.118481,0.0578826,0.00950827],[-0.0960036,-0.0167369,0.0108234,0.0139294],[-0.0574705,-0.0113,-0.00230179,0.00411921],[-0.0306931,-0.0023312,-0.00276681,-0.000561384]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.84
S298 (cal/mol*K) = 32.11
G298 (kcal/mol) = 49.28

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(81); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>CH2(T)(82)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.158e+01 -6.083e-01 -2.447e-01 -3.064e-02 / CHEB/ 2.089e+01 4.146e-01 1.136e-01 -2.842e-02 / CHEB/ -7.431e-04 1.185e-01 5.788e-02 9.508e-03 / CHEB/ -9.600e-02 -1.674e-02 1.082e-02 1.393e-02 / CHEB/ -5.747e-02 -1.130e-02 -2.302e-03 4.119e-03 / CHEB/ -3.069e-02 -2.331e-03 -2.767e-03 -5.614e-04 /

332.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.9	-15.0	-6.4	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-42.0	-15.0	-6.4	-2.3

Chebyshev(coeffs=[[-33.8134,-0.198952,-0.121043,-0.0520212],[37.8928,0.130917,0.0741437,0.0264998],[-0.122499,0.0402658,0.0246765,0.0107356],[-0.140556,-0.0136427,-0.00554914,0.000234195],[-0.0770573,0.000194099,-0.00020983,-0.000351877],[-0.0365209,0.00151596,0.000548962,-0.000109128]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 114.25
S298 (cal/mol*K) = 38.24
G298 (kcal/mol) = 102.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(83); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>CH2(T)(82)+C6H8(83)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.381e+01 -1.990e-01 -1.210e-01 -5.202e-02 / CHEB/ 3.789e+01 1.309e-01 7.414e-02 2.650e-02 / CHEB/ -1.225e-01 4.027e-02 2.468e-02 1.074e-02 / CHEB/ -1.406e-01 -1.364e-02 -5.549e-03 2.342e-04 / CHEB/ -7.706e-02 1.941e-04 -2.098e-04 -3.519e-04 / CHEB/ -3.652e-02 1.516e-03 5.490e-04 -1.091e-04 /

333.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-2.0	+2.0	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-2.3	+1.9	+3.9

Chebyshev(coeffs=[[-7.14715,-0.955772,-0.202104,0.0218566],[16.8289,0.798367,0.0231889,-0.0951662],[0.320541,0.0359111,0.0744545,0.0160775],[-0.0598204,0.0128038,0.0320374,0.0114814],[-0.0426516,-0.00896344,-0.0021751,0.00852125],[-0.0193491,-0.0115001,-0.0032795,0.00250641]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.90
S298 (cal/mol*K) = 23.63
G298 (kcal/mol) = 40.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(84); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(84)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.147e+00 -9.558e-01 -2.021e-01 2.186e-02 / CHEB/ 1.683e+01 7.984e-01 2.319e-02 -9.517e-02 / CHEB/ 3.205e-01 3.591e-02 7.445e-02 1.608e-02 / CHEB/ -5.982e-02 1.280e-02 3.204e-02 1.148e-02 / CHEB/ -4.265e-02 -8.963e-03 -2.175e-03 8.521e-03 / CHEB/ -1.935e-02 -1.150e-02 -3.280e-03 2.506e-03 /

334.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-2.1	+0.7	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-2.9	+0.5	+2.3

Chebyshev(coeffs=[[-2.74511,-1.96894,-0.237967,0.0344191],[10.0767,1.30543,-0.0449031,-0.0761943],[0.781874,0.56576,0.152916,-0.012233],[0.0943257,0.129961,0.081231,0.0110721],[0.0166854,-0.0281267,0.00754937,0.00364963],[0.0369741,-0.0774363,-0.0220685,-0.00265943]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.82
S298 (cal/mol*K) = 5.40
G298 (kcal/mol) = 16.21

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(85); H(25), C7H10(85); C7H9(5)+H(25)(+M)=>C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.745e+00 -1.969e+00 -2.380e-01 3.442e-02 / CHEB/ 1.008e+01 1.305e+00 -4.490e-02 -7.619e-02 / CHEB/ 7.819e-01 5.658e-01 1.529e-01 -1.223e-02 / CHEB/ 9.433e-02 1.300e-01 8.123e-02 1.107e-02 / CHEB/ 1.669e-02 -2.813e-02 7.549e-03 3.650e-03 / CHEB/ 3.697e-02 -7.744e-02 -2.207e-02 -2.659e-03 /

335.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.4	+0.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-3.2	+0.3	+2.4

Chebyshev(coeffs=[[-2.56213,-1.93068,-0.226228,0.0351685],[9.64777,1.33628,-0.0464393,-0.0788786],[0.832587,0.571348,0.157821,-0.01321],[0.221504,0.113599,0.0802959,0.0105297],[0.12221,-0.0487079,8.13402e-05,0.00231738],[0.0635353,-0.105832,-0.0295339,-0.000958194]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.82
S298 (cal/mol*K) = 5.40
G298 (kcal/mol) = 16.21

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(86); H(25), C7H10(86); C7H9(5)+H(25)(+M)=>C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.562e+00 -1.931e+00 -2.262e-01 3.517e-02 / CHEB/ 9.648e+00 1.336e+00 -4.644e-02 -7.888e-02 / CHEB/ 8.326e-01 5.713e-01 1.578e-01 -1.321e-02 / CHEB/ 2.215e-01 1.136e-01 8.030e-02 1.053e-02 / CHEB/ 1.222e-01 -4.871e-02 8.134e-05 2.317e-03 / CHEB/ 6.354e-02 -1.058e-01 -2.953e-02 -9.582e-04 /

336.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	+0.5	+2.2	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-0.7	+1.7	+2.4

Chebyshev(coeffs=[[-0.95241,-2.65257,-0.13154,0.0357257],[10.0193,1.49061,-0.221014,-0.0438491],[0.0837282,0.789679,0.121023,-0.032604],[-0.428524,0.179324,0.124213,-0.000769479],[-0.206367,-0.0105244,0.0412549,0.0111201],[-0.0258853,-0.00106367,-0.00418968,0.0044624]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.82
S298 (cal/mol*K) = 5.40
G298 (kcal/mol) = 16.21

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(87); H(25), C7H10(87); C7H9(5)+H(25)(+M)=>C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.524e-01 -2.653e+00 -1.315e-01 3.573e-02 / CHEB/ 1.002e+01 1.491e+00 -2.210e-01 -4.385e-02 / CHEB/ 8.373e-02 7.897e-01 1.210e-01 -3.260e-02 / CHEB/ -4.285e-01 1.793e-01 1.242e-01 -7.695e-04 / CHEB/ -2.064e-01 -1.052e-02 4.125e-02 1.112e-02 / CHEB/ -2.589e-02 -1.064e-03 -4.190e-03 4.462e-03 /

337.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+1.8	+4.1	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+1.6	+4.0	+5.1

Chebyshev(coeffs=[[2.13429,-0.983633,-0.183602,0.0115318],[8.60242,0.820059,0.0757719,-0.0500607],[0.457288,0.201818,0.0740971,0.00926834],[0.00252349,-0.027184,0.0162877,0.0153141],[-0.0547423,-0.0506088,-0.0105389,0.00193946],[-0.0272242,-0.0256024,-0.00869449,-0.00351268]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.02
S298 (cal/mol*K) = 4.98
G298 (kcal/mol) = 18.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(88); H(25), C7H10(88); C7H9(5)+H(25)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.134e+00 -9.836e-01 -1.836e-01 1.153e-02 / CHEB/ 8.602e+00 8.201e-01 7.577e-02 -5.006e-02 / CHEB/ 4.573e-01 2.018e-01 7.410e-02 9.268e-03 / CHEB/ 2.523e-03 -2.718e-02 1.629e-02 1.531e-02 / CHEB/ -5.474e-02 -5.061e-02 -1.054e-02 1.939e-03 / CHEB/ -2.722e-02 -2.560e-02 -8.694e-03 -3.513e-03 /

338.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+3.9	+5.3	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+3.1	+4.9	+5.5

Chebyshev(coeffs=[[6.48756,-1.76288,0.25332,-0.0138056],[4.85554,0.826908,-0.301841,-0.0112757],[0.54122,0.411636,-0.166627,-0.00971242],[-0.227172,0.296718,0.0443042,-0.0182067],[-0.153695,0.0694385,0.0318734,-0.00605215],[-0.0433931,-0.0557989,0.0109482,0.0121827]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.95
S298 (cal/mol*K) = -4.41
G298 (kcal/mol) = -17.63

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(89); H(25), C7H10(89); C7H9(5)+H(25)(+M)=>C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.488e+00 -1.763e+00 2.533e-01 -1.381e-02 / CHEB/ 4.856e+00 8.269e-01 -3.018e-01 -1.128e-02 / CHEB/ 5.412e-01 4.116e-01 -1.666e-01 -9.712e-03 / CHEB/ -2.272e-01 2.967e-01 4.430e-02 -1.821e-02 / CHEB/ -1.537e-01 6.944e-02 3.187e-02 -6.052e-03 / CHEB/ -4.339e-02 -5.580e-02 1.095e-02 1.218e-02 /

339.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+1.6	+3.4	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+0.6	+3.0	+4.5

Chebyshev(coeffs=[[3.89351,-2.0085,-0.112413,0.00984719],[5.51738,1.07413,-0.187512,0.0055874],[0.889473,0.666366,0.106034,-0.0632163],[0.0476073,0.198052,0.116222,0.000401521],[0.033371,0.0201227,0.0206019,0.0118189],[0.0508745,-0.0361308,-0.024476,-0.00768935]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.68
S298 (cal/mol*K) = -2.43
G298 (kcal/mol) = -5.95

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(90); H(25), C7H10(90); C7H9(5)+H(25)(+M)=>C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.894e+00 -2.009e+00 -1.124e-01 9.847e-03 / CHEB/ 5.517e+00 1.074e+00 -1.875e-01 5.587e-03 / CHEB/ 8.895e-01 6.664e-01 1.060e-01 -6.322e-02 / CHEB/ 4.761e-02 1.981e-01 1.162e-01 4.015e-04 / CHEB/ 3.337e-02 2.012e-02 2.060e-02 1.182e-02 / CHEB/ 5.087e-02 -3.613e-02 -2.448e-02 -7.689e-03 /

340.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-1.3	+1.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-1.7	+1.5	+2.8

Chebyshev(coeffs=[[-4.01448,-1.05478,-0.154025,0.0145489],[12.8742,0.72177,-0.053752,-0.065472],[0.159909,0.162836,0.0525671,-0.0104338],[-0.106962,0.0312928,0.0470289,0.0039288],[-0.0675433,-0.0174637,0.0139976,0.0098722],[-0.031398,-0.0153986,-0.00211331,0.00525491]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.98
S298 (cal/mol*K) = -0.75
G298 (kcal/mol) = 21.21

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(91); H(25), C7H10(91); C7H9(5)+H(25)(+M)=>C7H10(91)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.014e+00 -1.055e+00 -1.540e-01 1.455e-02 / CHEB/ 1.287e+01 7.218e-01 -5.375e-02 -6.547e-02 / CHEB/ 1.599e-01 1.628e-01 5.257e-02 -1.043e-02 / CHEB/ -1.070e-01 3.129e-02 4.703e-02 3.929e-03 / CHEB/ -6.754e-02 -1.746e-02 1.400e-02 9.872e-03 / CHEB/ -3.140e-02 -1.540e-02 -2.113e-03 5.255e-03 /

341.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+5.2	+5.4	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+4.8	+5.4	+5.6

Chebyshev(coeffs=[[10.2077,-0.30213,-0.115682,-0.039649],[0.853239,0.453012,-0.243882,0.0662649],[0.0212609,0.417513,-0.0915142,-0.0486624],[-0.0741439,0.187699,0.0293307,-0.0516068],[-0.0434373,0.0829943,0.048169,-0.0050755],[-0.0286394,0.0549766,0.0138422,0.00823257]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.20
S298 (cal/mol*K) = -7.20
G298 (kcal/mol) = -51.05

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(92); H(25), C7H10(92); C7H9(5)+H(25)(+M)=>C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.021e+01 -3.021e-01 -1.157e-01 -3.965e-02 / CHEB/ 8.532e-01 4.530e-01 -2.439e-01 6.626e-02 / CHEB/ 2.126e-02 4.175e-01 -9.151e-02 -4.866e-02 / CHEB/ -7.414e-02 1.877e-01 2.933e-02 -5.161e-02 / CHEB/ -4.344e-02 8.299e-02 4.817e-02 -5.075e-03 / CHEB/ -2.864e-02 5.498e-02 1.384e-02 8.233e-03 /

342.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.1	+7.2	+7.0	+6.4
log₁₀(k(10 bar)/[mole,m,s])	+5.8	+6.7	+6.8	+6.5

Chebyshev(coeffs=[[12.2153,-0.4473,-0.0601596,-0.0400674],[0.533343,0.271309,-0.189787,0.0907045],[-0.191098,0.384972,-0.107917,-0.0187378],[-0.23412,0.203435,0.0024521,-0.0406267],[-0.138006,0.0634154,0.0441196,-0.00627501],[-0.0517947,-0.00340554,0.021734,0.00951876]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -73.64
S298 (cal/mol*K) = -16.03
G298 (kcal/mol) = -68.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(93); H(25), C7H10(93); C7H9(5)+H(25)(+M)=>C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.222e+01 -4.473e-01 -6.016e-02 -4.007e-02 / CHEB/ 5.333e-01 2.713e-01 -1.898e-01 9.070e-02 / CHEB/ -1.911e-01 3.850e-01 -1.079e-01 -1.874e-02 / CHEB/ -2.341e-01 2.034e-01 2.452e-03 -4.063e-02 / CHEB/ -1.380e-01 6.342e-02 4.412e-02 -6.275e-03 / CHEB/ -5.179e-02 -3.406e-03 2.173e-02 9.519e-03 /

343.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-0.1	+2.9	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-0.5	+2.7	+4.2

Chebyshev(coeffs=[[-2.58298,-1.43237,-0.284082,-0.0160782],[12.6124,1.13199,0.0941567,-0.0239525],[0.308656,0.241283,0.0665968,-0.0224693],[-0.0941408,-0.0361091,0.031701,0.0050461],[-0.06065,-0.0448802,0.00921439,0.0143473],[-0.0120869,-0.0233616,-0.00608564,0.00489295]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.35
S298 (cal/mol*K) = 26.43
G298 (kcal/mol) = 24.47

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(94); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>C6H8(94)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.583e+00 -1.432e+00 -2.841e-01 -1.608e-02 / CHEB/ 1.261e+01 1.132e+00 9.416e-02 -2.395e-02 / CHEB/ 3.087e-01 2.413e-01 6.660e-02 -2.247e-02 / CHEB/ -9.414e-02 -3.611e-02 3.170e-02 5.046e-03 / CHEB/ -6.065e-02 -4.488e-02 9.214e-03 1.435e-02 / CHEB/ -1.209e-02 -2.336e-02 -6.086e-03 4.893e-03 /

344.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-2.5	+1.5	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-2.8	+1.4	+3.1

Chebyshev(coeffs=[[-5.25615,-1.6736,-0.235811,0.0281413],[13.3924,1.50696,0.0693061,-0.080937],[1.13817,0.283731,0.0743448,-0.0173382],[0.0708058,-0.216123,-0.0106816,0.0117302],[-0.129591,-0.116553,0.0109712,0.0208035],[-0.0715506,0.0451321,0.0279436,0.00979182]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.56
S298 (cal/mol*K) = 1.44
G298 (kcal/mol) = 13.13

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(95); H(25), C7H10(95); C7H9(5)+H(25)(+M)=>C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.256e+00 -1.674e+00 -2.358e-01 2.814e-02 / CHEB/ 1.339e+01 1.507e+00 6.931e-02 -8.094e-02 / CHEB/ 1.138e+00 2.837e-01 7.434e-02 -1.734e-02 / CHEB/ 7.081e-02 -2.161e-01 -1.068e-02 1.173e-02 / CHEB/ -1.296e-01 -1.166e-01 1.097e-02 2.080e-02 / CHEB/ -7.155e-02 4.513e-02 2.794e-02 9.792e-03 /

345.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.6	+1.2	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-2.4	+1.1	+2.8

Chebyshev(coeffs=[[-1.55063,-2.43627,-6.55575e-05,0.0299623],[9.20517,1.57823,-0.20456,-0.0186494],[1.04405,0.959931,0.0693324,-0.061226],[0.00568369,0.127468,0.0566126,-0.0297284],[-0.0205854,-0.200407,-0.011653,0.00324695],[0.0566893,-0.175433,-0.0182692,0.0198675]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.36
S298 (cal/mol*K) = 0.34
G298 (kcal/mol) = 4.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(96); H(25), C7H10(96); C7H9(5)+H(25)(+M)=>C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.551e+00 -2.436e+00 -6.556e-05 2.996e-02 / CHEB/ 9.205e+00 1.578e+00 -2.046e-01 -1.865e-02 / CHEB/ 1.044e+00 9.599e-01 6.933e-02 -6.123e-02 / CHEB/ 5.684e-03 1.275e-01 5.661e-02 -2.973e-02 / CHEB/ -2.059e-02 -2.004e-01 -1.165e-02 3.247e-03 / CHEB/ 5.669e-02 -1.754e-01 -1.827e-02 1.987e-02 /

346.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	+0.5	+3.0	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+0.0	+2.8	+4.0

Chebyshev(coeffs=[[-0.232364,-1.56979,0.111131,-0.0187022],[9.87388,1.36694,-0.363901,-0.0447935],[0.574587,-0.0297197,0.0166752,0.0354198],[-0.130699,0.055062,0.124727,-0.0287415],[-0.0394408,0.00835785,0.00270081,-0.00982547],[-0.0163342,-0.034484,0.00454943,0.0216092]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.36
S298 (cal/mol*K) = 0.34
G298 (kcal/mol) = 4.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(97); H(25), C7H10(97); C7H9(5)+H(25)(+M)=>C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.324e-01 -1.570e+00 1.111e-01 -1.870e-02 / CHEB/ 9.874e+00 1.367e+00 -3.639e-01 -4.479e-02 / CHEB/ 5.746e-01 -2.972e-02 1.668e-02 3.542e-02 / CHEB/ -1.307e-01 5.506e-02 1.247e-01 -2.874e-02 / CHEB/ -3.944e-02 8.358e-03 2.701e-03 -9.825e-03 / CHEB/ -1.633e-02 -3.448e-02 4.549e-03 2.161e-02 /

347.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	+1.3	+2.6	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-8.6	+0.2	+2.0	+2.1

Chebyshev(coeffs=[[-0.141363,-2.67978,-0.163278,0.0351215],[9.5333,1.45341,-0.232383,-0.0520695],[-0.234627,0.699259,0.103306,-0.0341794],[-0.574176,0.102544,0.102109,-0.00119083],[-0.297748,-0.0628568,0.0235291,0.0113782],[-0.0903082,-0.0360019,-0.0146542,0.0050264]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.07
S298 (cal/mol*K) = 31.85
G298 (kcal/mol) = 15.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(99); H(25), C3H5(98); C7H9(5)+H(25)(+M)=>C3H5(98)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.414e-01 -2.680e+00 -1.633e-01 3.512e-02 / CHEB/ 9.533e+00 1.453e+00 -2.324e-01 -5.207e-02 / CHEB/ -2.346e-01 6.993e-01 1.033e-01 -3.418e-02 / CHEB/ -5.742e-01 1.025e-01 1.021e-01 -1.191e-03 / CHEB/ -2.977e-01 -6.286e-02 2.353e-02 1.138e-02 / CHEB/ -9.031e-02 -3.600e-02 -1.465e-02 5.026e-03 /

348.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+3.1	+4.6	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+2.2	+4.2	+4.6

Chebyshev(coeffs=[[2.99276,-2.42348,-0.0475394,-0.00407494],[8.20591,1.49152,-0.191091,-0.00533232],[0.103431,0.708514,0.0495027,-0.0188676],[-0.433389,0.114502,0.0496677,-0.0338536],[-0.205435,-0.0542682,0.0278358,-0.000892517],[-0.0508678,-0.0644805,-0.00134037,0.0171354]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.87
S298 (cal/mol*K) = 32.86
G298 (kcal/mol) = 7.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(210); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C5H7(210)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.993e+00 -2.423e+00 -4.754e-02 -4.075e-03 / CHEB/ 8.206e+00 1.492e+00 -1.911e-01 -5.332e-03 / CHEB/ 1.034e-01 7.085e-01 4.950e-02 -1.887e-02 / CHEB/ -4.334e-01 1.145e-01 4.967e-02 -3.385e-02 / CHEB/ -2.054e-01 -5.427e-02 2.784e-02 -8.925e-04 / CHEB/ -5.087e-02 -6.448e-02 -1.340e-03 1.714e-02 /

349.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-4.9	-2.4	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-5.6	-2.7	-1.8

Chebyshev(coeffs=[[-9.82824,-2.18847,-0.373635,0.0317623],[15.1938,1.64113,0.0522739,-0.0919608],[-0.420681,0.445292,0.163493,-0.0109373],[-0.459535,-0.0516279,0.061429,0.0204502],[-0.194292,-0.0807062,-0.0117299,0.0126339],[-0.0508635,-0.0201126,-0.0185702,-0.000877012]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.12
S298 (cal/mol*K) = 23.78
G298 (kcal/mol) = 40.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(101); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(101)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.828e+00 -2.188e+00 -3.736e-01 3.176e-02 / CHEB/ 1.519e+01 1.641e+00 5.227e-02 -9.196e-02 / CHEB/ -4.207e-01 4.453e-01 1.635e-01 -1.094e-02 / CHEB/ -4.595e-01 -5.163e-02 6.143e-02 2.045e-02 / CHEB/ -1.943e-01 -8.071e-02 -1.173e-02 1.263e-02 / CHEB/ -5.086e-02 -2.011e-02 -1.857e-02 -8.770e-04 /

350.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-4.9	-2.4	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-5.6	-2.7	-1.8

H298 (kcal/mol) = 47.12
S298 (cal/mol*K) = 23.78
G298 (kcal/mol) = 40.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(102); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(102)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.828e+00 -2.188e+00 -3.736e-01 3.176e-02 / CHEB/ 1.519e+01 1.641e+00 5.227e-02 -9.196e-02 / CHEB/ -4.207e-01 4.453e-01 1.635e-01 -1.094e-02 / CHEB/ -4.595e-01 -5.163e-02 6.143e-02 2.045e-02 / CHEB/ -1.943e-01 -8.071e-02 -1.173e-02 1.263e-02 / CHEB/ -5.086e-02 -2.011e-02 -1.857e-02 -8.770e-04 /

351.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-3.0	-0.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-3.4	-0.4	+0.6

Chebyshev(coeffs=[[-8.8618,-1.81559,-0.443251,0.00952958],[16.7908,1.50612,0.192869,-0.0874276],[-0.662157,0.295148,0.161525,0.0134525],[-0.463232,-0.0938647,0.0256399,0.0269382],[-0.176351,-0.0682552,-0.0250694,0.0054688],[-0.048003,-0.00844306,-0.01485,-0.00508461]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.27
S298 (cal/mol*K) = 39.79
G298 (kcal/mol) = 43.42

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(103); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C5H7(103)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.862e+00 -1.816e+00 -4.433e-01 9.530e-03 / CHEB/ 1.679e+01 1.506e+00 1.929e-01 -8.743e-02 / CHEB/ -6.622e-01 2.951e-01 1.615e-01 1.345e-02 / CHEB/ -4.632e-01 -9.386e-02 2.564e-02 2.694e-02 / CHEB/ -1.764e-01 -6.826e-02 -2.507e-02 5.469e-03 / CHEB/ -4.800e-02 -8.443e-03 -1.485e-02 -5.085e-03 /

352.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.0	+0.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-2.8	-0.2	+0.5

Chebyshev(coeffs=[[-5.66304,-2.45014,-0.29229,0.0392317],[13.2536,1.64486,-0.0725435,-0.0809358],[-0.285916,0.564829,0.14601,-0.0244889],[-0.488601,0.00707161,0.0832729,0.0102272],[-0.228163,-0.0792874,0.00335808,0.0139888],[-0.0618314,-0.029022,-0.0179849,0.00272294]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.92
S298 (cal/mol*K) = 22.68
G298 (kcal/mol) = 31.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(104); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(104)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.663e+00 -2.450e+00 -2.923e-01 3.923e-02 / CHEB/ 1.325e+01 1.645e+00 -7.254e-02 -8.094e-02 / CHEB/ -2.859e-01 5.648e-01 1.460e-01 -2.449e-02 / CHEB/ -4.886e-01 7.072e-03 8.327e-02 1.023e-02 / CHEB/ -2.282e-01 -7.929e-02 3.358e-03 1.399e-02 / CHEB/ -6.183e-02 -2.902e-02 -1.798e-02 2.723e-03 /

353.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.0	+0.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-2.8	-0.2	+0.5

H298 (kcal/mol) = 37.92
S298 (cal/mol*K) = 22.68
G298 (kcal/mol) = 31.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(105); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(105)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.663e+00 -2.450e+00 -2.923e-01 3.923e-02 / CHEB/ 1.325e+01 1.645e+00 -7.254e-02 -8.094e-02 / CHEB/ -2.859e-01 5.648e-01 1.460e-01 -2.449e-02 / CHEB/ -4.886e-01 7.072e-03 8.327e-02 1.023e-02 / CHEB/ -2.282e-01 -7.929e-02 3.358e-03 1.399e-02 / CHEB/ -6.183e-02 -2.902e-02 -1.798e-02 2.723e-03 /

354.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.8	-4.4	-1.7	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-17.5	-5.0	-1.9	-1.0

Chebyshev(coeffs=[[-9.64935,-2.11319,-0.391241,0.0282215],[15.7915,1.62368,0.0833612,-0.092804],[-0.421958,0.412778,0.165669,-0.00639226],[-0.443954,-0.0635859,0.0544332,0.0226848],[-0.184254,-0.0791238,-0.0152761,0.0115902],[-0.0479244,-0.0175293,-0.0181911,-0.00190909]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.32
S298 (cal/mol*K) = 23.36
G298 (kcal/mol) = 42.36

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(106); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(106)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.649e+00 -2.113e+00 -3.912e-01 2.822e-02 / CHEB/ 1.579e+01 1.624e+00 8.336e-02 -9.280e-02 / CHEB/ -4.220e-01 4.128e-01 1.657e-01 -6.392e-03 / CHEB/ -4.440e-01 -6.359e-02 5.443e-02 2.268e-02 / CHEB/ -1.843e-01 -7.912e-02 -1.528e-02 1.159e-02 / CHEB/ -4.792e-02 -1.753e-02 -1.819e-02 -1.909e-03 /

355.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.8	-4.4	-1.7	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-17.5	-5.0	-1.9	-1.0

H298 (kcal/mol) = 49.32
S298 (cal/mol*K) = 23.36
G298 (kcal/mol) = 42.36

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(107); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(107)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.649e+00 -2.113e+00 -3.912e-01 2.822e-02 / CHEB/ 1.579e+01 1.624e+00 8.336e-02 -9.280e-02 / CHEB/ -4.220e-01 4.128e-01 1.657e-01 -6.392e-03 / CHEB/ -4.440e-01 -6.359e-02 5.443e-02 2.268e-02 / CHEB/ -1.843e-01 -7.912e-02 -1.528e-02 1.159e-02 / CHEB/ -4.792e-02 -1.753e-02 -1.819e-02 -1.909e-03 /

356.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+4.8	+5.2	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+4.9	+5.6	+5.4

Chebyshev(coeffs=[[8.8174,0.236732,-0.0832044,-0.00941931],[2.11475,0.666474,-0.116062,0.00138588],[0.208246,0.44133,-0.0305714,-0.0119538],[-0.219091,0.182095,0.0179658,-0.00976504],[-0.228347,0.0322227,0.0305459,-0.00257004],[-0.123601,-0.0213719,0.0201067,0.00203817]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.99
S298 (cal/mol*K) = -3.17
G298 (kcal/mol) = -18.04

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(108); H(25), C7H10(108); C7H9(5)+H(25)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.817e+00 2.367e-01 -8.320e-02 -9.419e-03 / CHEB/ 2.115e+00 6.665e-01 -1.161e-01 1.386e-03 / CHEB/ 2.082e-01 4.413e-01 -3.057e-02 -1.195e-02 / CHEB/ -2.191e-01 1.821e-01 1.797e-02 -9.765e-03 / CHEB/ -2.283e-01 3.222e-02 3.055e-02 -2.570e-03 / CHEB/ -1.236e-01 -2.137e-02 2.011e-02 2.038e-03 /

357.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	+0.9	+2.4	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-0.2	+1.8	+2.0

Chebyshev(coeffs=[[-0.577347,-2.69461,-0.147831,0.0338245],[9.72144,1.41088,-0.248728,-0.0478258],[-0.0771359,0.713552,0.0962287,-0.0351618],[-0.54055,0.115154,0.103746,-0.00205843],[-0.291686,-0.0602345,0.0261282,0.0109698],[-0.0890257,-0.0366912,-0.014162,0.00503972]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.64
S298 (cal/mol*K) = 7.32
G298 (kcal/mol) = 15.46

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(109); H(25), C7H10(109); C7H9(5)+H(25)(+M)=>C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.773e-01 -2.695e+00 -1.478e-01 3.382e-02 / CHEB/ 9.721e+00 1.411e+00 -2.487e-01 -4.783e-02 / CHEB/ -7.714e-02 7.136e-01 9.623e-02 -3.516e-02 / CHEB/ -5.405e-01 1.152e-01 1.037e-01 -2.058e-03 / CHEB/ -2.917e-01 -6.023e-02 2.613e-02 1.097e-02 / CHEB/ -8.903e-02 -3.669e-02 -1.416e-02 5.040e-03 /

358.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-1.3	+1.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-1.6	+1.7	+2.9

Chebyshev(coeffs=[[-4.50697,-1.76971,-0.0478383,-0.00460477],[13.347,1.87984,-0.154676,-0.0510137],[0.59802,-0.083958,0.0961648,0.0347179],[-0.323668,-0.102491,0.124069,-0.00328095],[-0.139383,0.0541447,-0.0338793,-0.00750753],[-0.0957176,-0.0486155,-0.0411499,0.0209489]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.45
S298 (cal/mol*K) = 1.21
G298 (kcal/mol) = 4.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(110); H(25), C7H10(110); C7H9(5)+H(25)(+M)=>C7H10(110)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.507e+00 -1.770e+00 -4.784e-02 -4.605e-03 / CHEB/ 1.335e+01 1.880e+00 -1.547e-01 -5.101e-02 / CHEB/ 5.980e-01 -8.396e-02 9.616e-02 3.472e-02 / CHEB/ -3.237e-01 -1.025e-01 1.241e-01 -3.281e-03 / CHEB/ -1.394e-01 5.414e-02 -3.388e-02 -7.508e-03 / CHEB/ -9.572e-02 -4.862e-02 -4.115e-02 2.095e-02 /

359.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-0.3	+1.3	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-1.5	+0.6	+0.8

Chebyshev(coeffs=[[-1.49509,-2.78502,-0.147509,0.0169242],[9.36586,1.32525,-0.253888,-0.0284267],[0.0469934,0.714866,0.0618454,-0.0412652],[-0.502093,0.150378,0.101428,-0.00667961],[-0.296166,-0.0443101,0.0357228,0.0106724],[-0.0962416,-0.0354065,-0.00994561,0.00602435]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.84
S298 (cal/mol*K) = 6.90
G298 (kcal/mol) = 17.79

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(111); H(25), C7H10(111); C7H9(5)+H(25)(+M)=>C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.495e+00 -2.785e+00 -1.475e-01 1.692e-02 / CHEB/ 9.366e+00 1.325e+00 -2.539e-01 -2.843e-02 / CHEB/ 4.699e-02 7.149e-01 6.185e-02 -4.127e-02 / CHEB/ -5.021e-01 1.504e-01 1.014e-01 -6.680e-03 / CHEB/ -2.962e-01 -4.431e-02 3.572e-02 1.067e-02 / CHEB/ -9.624e-02 -3.541e-02 -9.946e-03 6.024e-03 /

360.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+1.1	+2.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-7.3	+0.1	+2.1	+2.6

Chebyshev(coeffs=[[0.989392,-2.15113,-0.205819,0.0292868],[8.05103,1.11772,-0.17109,-0.0780055],[0.235111,0.56902,0.105763,-0.0254073],[-0.382966,0.134459,0.0846761,0.0152827],[-0.214014,-0.0104493,0.0248742,0.0105136],[-0.0284183,-0.0154406,-0.00382264,-0.000759044]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.91
S298 (cal/mol*K) = 3.16
G298 (kcal/mol) = 9.97

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(112); H(25), C7H10(112); C7H9(5)+H(25)(+M)=>C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.894e-01 -2.151e+00 -2.058e-01 2.929e-02 / CHEB/ 8.051e+00 1.118e+00 -1.711e-01 -7.801e-02 / CHEB/ 2.351e-01 5.690e-01 1.058e-01 -2.541e-02 / CHEB/ -3.830e-01 1.345e-01 8.468e-02 1.528e-02 / CHEB/ -2.140e-01 -1.045e-02 2.487e-02 1.051e-02 / CHEB/ -2.842e-02 -1.544e-02 -3.823e-03 -7.590e-04 /

361.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	-0.3	+1.2	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-1.5	+0.5	+1.6

Chebyshev(coeffs=[[1.60873,-2.21092,-0.0974648,0.00307364],[5.57503,0.896472,-0.209827,-0.0150376],[0.629709,0.673444,0.0563108,-0.0484641],[-0.162557,0.315182,0.0801482,0.00969921],[-0.0960123,0.125306,0.0397664,0.0100707],[0.0192884,0.0318526,0.0168489,-0.00516657]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.32
S298 (cal/mol*K) = -1.82
G298 (kcal/mol) = 2.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(113); H(25), C7H10(113); C7H9(5)+H(25)(+M)=>C7H10(113)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.609e+00 -2.211e+00 -9.746e-02 3.074e-03 / CHEB/ 5.575e+00 8.965e-01 -2.098e-01 -1.504e-02 / CHEB/ 6.297e-01 6.734e-01 5.631e-02 -4.846e-02 / CHEB/ -1.626e-01 3.152e-01 8.015e-02 9.699e-03 / CHEB/ -9.601e-02 1.253e-01 3.977e-02 1.007e-02 / CHEB/ 1.929e-02 3.185e-02 1.685e-02 -5.167e-03 /

362.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	+3.5	+5.3	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+2.9	+5.1	+5.7

Chebyshev(coeffs=[[4.22077,-1.54962,-0.107424,-0.00610086],[7.32335,0.996611,-0.0919472,-0.0124274],[0.612843,0.450557,0.0441914,-0.0189977],[-0.191359,0.0671638,0.0621675,-0.00563217],[-0.172494,-0.0525559,0.0300721,0.00713189],[-0.0765231,-0.0488619,0.000159707,0.00786636]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.05
S298 (cal/mol*K) = 1.96
G298 (kcal/mol) = -0.53

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(114); H(25), C7H10(114); C7H9(5)+H(25)(+M)=>C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.221e+00 -1.550e+00 -1.074e-01 -6.101e-03 / CHEB/ 7.323e+00 9.966e-01 -9.195e-02 -1.243e-02 / CHEB/ 6.128e-01 4.506e-01 4.419e-02 -1.900e-02 / CHEB/ -1.914e-01 6.716e-02 6.217e-02 -5.632e-03 / CHEB/ -1.725e-01 -5.256e-02 3.007e-02 7.132e-03 / CHEB/ -7.652e-02 -4.886e-02 1.597e-04 7.866e-03 /

363.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+4.3	+5.7	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-2.1	+3.5	+5.3	+5.9

Chebyshev(coeffs=[[6.03291,-1.66134,-0.0455999,0.0159011],[5.8192,0.836897,-0.128635,0.014836],[0.505236,0.480472,0.00915687,-0.0257307],[-0.19388,0.167515,0.0556238,-0.0158625],[-0.170869,0.0130242,0.0384637,-0.00407755],[-0.0607723,-0.0285744,0.0106611,0.00162398]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.65
S298 (cal/mol*K) = 0.79
G298 (kcal/mol) = 6.42

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(115); H(25), C7H10(115); C7H9(5)+H(25)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.033e+00 -1.661e+00 -4.560e-02 1.590e-02 / CHEB/ 5.819e+00 8.369e-01 -1.286e-01 1.484e-02 / CHEB/ 5.052e-01 4.805e-01 9.157e-03 -2.573e-02 / CHEB/ -1.939e-01 1.675e-01 5.562e-02 -1.586e-02 / CHEB/ -1.709e-01 1.302e-02 3.846e-02 -4.078e-03 / CHEB/ -6.077e-02 -2.857e-02 1.066e-02 1.624e-03 /

364.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-0.9	+0.8	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-2.3	+0.2	+1.6

Chebyshev(coeffs=[[-0.611962,-2.61016,-0.0302339,0.020933],[7.86999,1.23474,-0.269493,-0.00692283],[0.560359,0.955626,0.080381,-0.0438517],[-0.2527,0.334689,0.134428,-0.0110251],[-0.0930029,0.0523317,0.053979,0.00258184],[0.061652,0.0137529,-0.0104319,-0.00505133]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.71
S298 (cal/mol*K) = 2.06
G298 (kcal/mol) = 1.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(116); H(25), C7H10(116); C7H9(5)+H(25)(+M)=>C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.120e-01 -2.610e+00 -3.023e-02 2.093e-02 / CHEB/ 7.870e+00 1.235e+00 -2.695e-01 -6.923e-03 / CHEB/ 5.604e-01 9.556e-01 8.038e-02 -4.385e-02 / CHEB/ -2.527e-01 3.347e-01 1.344e-01 -1.103e-02 / CHEB/ -9.300e-02 5.233e-02 5.398e-02 2.582e-03 / CHEB/ 6.165e-02 1.375e-02 -1.043e-02 -5.051e-03 /

365.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-0.4	+1.0	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-1.5	+0.5	+1.4

Chebyshev(coeffs=[[1.1719,-2.09546,-0.138737,0.0153706],[5.89607,1.00359,-0.206155,-0.0256216],[0.609708,0.632593,0.108867,-0.0522928],[-0.196359,0.234961,0.11472,0.0145975],[-0.118703,0.0820105,0.0406865,0.0165709],[0.0164797,0.0306308,0.00487636,-0.00507608]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.85
S298 (cal/mol*K) = -2.22
G298 (kcal/mol) = 2.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(117); H(25), C7H10(117); C7H9(5)+H(25)(+M)=>C7H10(117)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.172e+00 -2.095e+00 -1.387e-01 1.537e-02 / CHEB/ 5.896e+00 1.004e+00 -2.062e-01 -2.562e-02 / CHEB/ 6.097e-01 6.326e-01 1.089e-01 -5.229e-02 / CHEB/ -1.964e-01 2.350e-01 1.147e-01 1.460e-02 / CHEB/ -1.187e-01 8.201e-02 4.069e-02 1.657e-02 / CHEB/ 1.648e-02 3.063e-02 4.876e-03 -5.076e-03 /

366.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+0.5	+2.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-0.5	+2.0	+3.6

Chebyshev(coeffs=[[2.25566,-2.02808,-0.141,0.0260652],[6.37168,1.12344,-0.177965,-0.036658],[0.759443,0.63505,0.129817,-0.0484602],[0.0549129,0.198603,0.107812,0.0100263],[0.0553735,0.0288057,0.019203,0.00841754],[0.0648264,-0.0397546,-0.0234879,-0.00991603]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.71
S298 (cal/mol*K) = 2.06
G298 (kcal/mol) = 1.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(118); H(25), C7H10(118); C7H9(5)+H(25)(+M)=>C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.256e+00 -2.028e+00 -1.410e-01 2.607e-02 / CHEB/ 6.372e+00 1.123e+00 -1.780e-01 -3.666e-02 / CHEB/ 7.594e-01 6.350e-01 1.298e-01 -4.846e-02 / CHEB/ 5.491e-02 1.986e-01 1.078e-01 1.003e-02 / CHEB/ 5.537e-02 2.881e-02 1.920e-02 8.418e-03 / CHEB/ 6.483e-02 -3.975e-02 -2.349e-02 -9.916e-03 /

367.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	+0.8	+3.0	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-6.5	+0.1	+2.7	+3.9

Chebyshev(coeffs=[[2.27436,-1.836,-0.0129753,0.0312961],[6.72138,1.13155,-0.218123,-0.0534541],[0.964604,0.469437,-0.00625321,-0.0687749],[-0.0344933,0.0965658,0.0561488,0.00797259],[-0.0773617,-0.0291467,0.0270317,0.0160982],[0.0312698,-0.0637551,0.00553055,0.00472597]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.05
S298 (cal/mol*K) = -2.64
G298 (kcal/mol) = 4.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(119); H(25), C7H10(119); C7H9(5)+H(25)(+M)=>C7H10(119)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.274e+00 -1.836e+00 -1.298e-02 3.130e-02 / CHEB/ 6.721e+00 1.132e+00 -2.181e-01 -5.345e-02 / CHEB/ 9.646e-01 4.694e-01 -6.253e-03 -6.877e-02 / CHEB/ -3.449e-02 9.657e-02 5.615e-02 7.973e-03 / CHEB/ -7.736e-02 -2.915e-02 2.703e-02 1.610e-02 / CHEB/ 3.127e-02 -6.376e-02 5.531e-03 4.726e-03 /

368.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+0.4	+2.9	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-0.2	+2.7	+4.0

Chebyshev(coeffs=[[0.71197,-1.86689,-0.110827,0.0153736],[8.5241,1.31722,-0.133366,-0.0759611],[0.816662,0.386924,0.0363599,-0.0121714],[-0.022406,0.0428839,0.046214,0.0038968],[-0.0463431,-0.0396595,0.0313688,0.00678338],[-0.00117483,-0.0538981,0.0085227,0.00629088]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.11
S298 (cal/mol*K) = 2.74
G298 (kcal/mol) = 12.30

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(120); H(25), C7H10(120); C7H9(5)+H(25)(+M)=>C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.120e-01 -1.867e+00 -1.108e-01 1.537e-02 / CHEB/ 8.524e+00 1.317e+00 -1.334e-01 -7.596e-02 / CHEB/ 8.167e-01 3.869e-01 3.636e-02 -1.217e-02 / CHEB/ -2.241e-02 4.288e-02 4.621e-02 3.897e-03 / CHEB/ -4.634e-02 -3.966e-02 3.137e-02 6.783e-03 / CHEB/ -1.175e-03 -5.390e-02 8.523e-03 6.291e-03 /

369.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-0.5	+0.3	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-2.0	-0.6	-0.8

Chebyshev(coeffs=[[1.05586,-2.68316,-0.0203909,-0.0118782],[5.16017,0.62232,-0.312641,0.043266],[0.409551,0.767338,-0.0405775,-0.0543747],[-0.51842,0.29375,0.102614,-0.0166308],[-0.351757,0.0032007,0.0649375,0.0126183],[-0.108358,-0.0473974,0.000384174,0.00773149]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.20
S298 (cal/mol*K) = -23.99
G298 (kcal/mol) = -64.05

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(121); H(25), C7H10(121); C7H9(5)+H(25)(+M)=>C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.056e+00 -2.683e+00 -2.039e-02 -1.188e-02 / CHEB/ 5.160e+00 6.223e-01 -3.126e-01 4.327e-02 / CHEB/ 4.096e-01 7.673e-01 -4.058e-02 -5.437e-02 / CHEB/ -5.184e-01 2.937e-01 1.026e-01 -1.663e-02 / CHEB/ -3.518e-01 3.201e-03 6.494e-02 1.262e-02 / CHEB/ -1.084e-01 -4.740e-02 3.842e-04 7.731e-03 /

370.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+4.6	+6.2	+6.2
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+3.4	+5.5	+5.8

Chebyshev(coeffs=[[3.22884,-2.69102,-0.126837,0.0309834],[9.58832,1.36834,-0.267657,-0.0422035],[0.0761877,0.739676,0.0912597,-0.0367596],[-0.518837,0.12667,0.106946,-0.00231529],[-0.286554,-0.0612454,0.0284484,0.010768],[-0.09029,-0.0382859,-0.014376,0.00481593]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.66
S298 (cal/mol*K) = 18.74
G298 (kcal/mol) = 11.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(122); H(25), C7H10(122); C7H9(5)+H(25)(+M)=>C7H10(122)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.229e+00 -2.691e+00 -1.268e-01 3.098e-02 / CHEB/ 9.588e+00 1.368e+00 -2.677e-01 -4.220e-02 / CHEB/ 7.619e-02 7.397e-01 9.126e-02 -3.676e-02 / CHEB/ -5.188e-01 1.267e-01 1.069e-01 -2.315e-03 / CHEB/ -2.866e-01 -6.125e-02 2.845e-02 1.077e-02 / CHEB/ -9.029e-02 -3.829e-02 -1.438e-02 4.816e-03 /

371.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+4.8	+6.3	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+3.8	+5.7	+6.2

Chebyshev(coeffs=[[4.70709,-2.15678,-0.195808,0.026849],[7.902,1.08058,-0.193084,-0.075102],[0.334446,0.565826,0.0991229,-0.0316138],[-0.397061,0.125667,0.0805148,0.0144585],[-0.236534,-0.0228391,0.0195371,0.0095488],[-0.0488286,-0.0261728,-0.00877995,-0.00258966]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.10
S298 (cal/mol*K) = 16.10
G298 (kcal/mol) = 5.30

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(123); H(25), C7H10(123); C7H9(5)+H(25)(+M)=>C7H10(123)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.707e+00 -2.157e+00 -1.958e-01 2.685e-02 / CHEB/ 7.902e+00 1.081e+00 -1.931e-01 -7.510e-02 / CHEB/ 3.344e-01 5.658e-01 9.912e-02 -3.161e-02 / CHEB/ -3.971e-01 1.257e-01 8.051e-02 1.446e-02 / CHEB/ -2.365e-01 -2.284e-02 1.954e-02 9.549e-03 / CHEB/ -4.883e-02 -2.617e-02 -8.780e-03 -2.590e-03 /

372.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	+2.8	+4.3	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-7.4	+1.5	+3.7	+4.0

Chebyshev(coeffs=[[1.36207,-2.70893,-0.12858,0.0318482],[9.60937,1.34989,-0.268105,-0.0419999],[0.0495111,0.7309,0.0865461,-0.0365508],[-0.519725,0.131676,0.105571,-0.00302398],[-0.291144,-0.0566898,0.0295488,0.0105345],[-0.0900346,-0.0376048,-0.0134718,0.00497103]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.83
S298 (cal/mol*K) = 20.49
G298 (kcal/mol) = 10.72

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(124); H(25), C7H10(124); C7H9(5)+H(25)(+M)=>C7H10(124)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.362e+00 -2.709e+00 -1.286e-01 3.185e-02 / CHEB/ 9.609e+00 1.350e+00 -2.681e-01 -4.200e-02 / CHEB/ 4.951e-02 7.309e-01 8.655e-02 -3.655e-02 / CHEB/ -5.197e-01 1.317e-01 1.056e-01 -3.024e-03 / CHEB/ -2.911e-01 -5.669e-02 2.955e-02 1.053e-02 / CHEB/ -9.003e-02 -3.760e-02 -1.347e-02 4.971e-03 /

373.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	+1.4	+2.8	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+0.2	+2.1	+2.2

Chebyshev(coeffs=[[0.420862,-2.71467,-0.118088,0.0305584],[8.94689,1.31253,-0.278156,-0.038496],[-0.0104006,0.740095,0.0808058,-0.0374102],[-0.546678,0.141145,0.106453,-0.00352187],[-0.303529,-0.0545933,0.031515,0.0103544],[-0.0951052,-0.0381509,-0.0130428,0.00489963]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.36
S298 (cal/mol*K) = 20.06
G298 (kcal/mol) = 8.38

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(125); H(25), C7H10(125); C7H9(5)+H(25)(+M)=>C7H10(125)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.209e-01 -2.715e+00 -1.181e-01 3.056e-02 / CHEB/ 8.947e+00 1.313e+00 -2.782e-01 -3.850e-02 / CHEB/ -1.040e-02 7.401e-01 8.081e-02 -3.741e-02 / CHEB/ -5.467e-01 1.411e-01 1.065e-01 -3.522e-03 / CHEB/ -3.035e-01 -5.459e-02 3.151e-02 1.035e-02 / CHEB/ -9.511e-02 -3.815e-02 -1.304e-02 4.900e-03 /

374.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-1.7	-0.1	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-2.9	-0.7	-0.4

Chebyshev(coeffs=[[-3.39223,-2.69024,-0.152709,0.0342586],[10.0427,1.42489,-0.243639,-0.0492013],[-0.0432929,0.70907,0.0985254,-0.0348413],[-0.526519,0.111116,0.103245,-0.00179507],[-0.285435,-0.0610823,0.025295,0.0110949],[-0.0865448,-0.0364705,-0.0143223,0.00504231]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.54
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = 16.23

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(126); H(25), C7H10(126); C7H9(5)+H(25)(+M)=>C7H10(126)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.392e+00 -2.690e+00 -1.527e-01 3.426e-02 / CHEB/ 1.004e+01 1.425e+00 -2.436e-01 -4.920e-02 / CHEB/ -4.329e-02 7.091e-01 9.853e-02 -3.484e-02 / CHEB/ -5.265e-01 1.111e-01 1.032e-01 -1.795e-03 / CHEB/ -2.854e-01 -6.108e-02 2.530e-02 1.109e-02 / CHEB/ -8.654e-02 -3.647e-02 -1.432e-02 5.042e-03 /

375.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-0.3	+1.2	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-1.5	+0.6	+0.9

Chebyshev(coeffs=[[-2.00293,-2.69256,-0.150164,0.0340352],[10.0161,1.41765,-0.246303,-0.0484881],[-0.0298554,0.71141,0.0973367,-0.0350072],[-0.524684,0.113213,0.103507,-0.00193336],[-0.285666,-0.0606409,0.0257277,0.011029],[-0.086774,-0.0365829,-0.0142393,0.00504166]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.63
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = 19.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(127); H(25), C7H10(127); C7H9(5)+H(25)(+M)=>C7H10(127)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.003e+00 -2.693e+00 -1.502e-01 3.404e-02 / CHEB/ 1.002e+01 1.418e+00 -2.463e-01 -4.849e-02 / CHEB/ -2.986e-02 7.114e-01 9.734e-02 -3.501e-02 / CHEB/ -5.247e-01 1.132e-01 1.035e-01 -1.933e-03 / CHEB/ -2.857e-01 -6.064e-02 2.573e-02 1.103e-02 / CHEB/ -8.677e-02 -3.658e-02 -1.424e-02 5.042e-03 /

376.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+4.6	+5.3	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+3.4	+4.6	+4.5

Chebyshev(coeffs=[[7.24867,-2.24794,-0.0935822,-0.019683],[3.75307,0.776677,-0.26471,0.0349464],[0.424652,0.627482,-0.0144611,-0.0603024],[-0.321254,0.191815,0.0924649,-0.0116413],[-0.270754,-0.0163681,0.0486408,0.0206943],[-0.122305,-0.0528301,-0.00378564,0.00725298]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.26
S298 (cal/mol*K) = -1.36
G298 (kcal/mol) = -9.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(128); H(25), C7H10(128); C7H9(5)+H(25)(+M)=>C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.249e+00 -2.248e+00 -9.358e-02 -1.968e-02 / CHEB/ 3.753e+00 7.767e-01 -2.647e-01 3.495e-02 / CHEB/ 4.247e-01 6.275e-01 -1.446e-02 -6.030e-02 / CHEB/ -3.213e-01 1.918e-01 9.246e-02 -1.164e-02 / CHEB/ -2.708e-01 -1.637e-02 4.864e-02 2.069e-02 / CHEB/ -1.223e-01 -5.283e-02 -3.786e-03 7.253e-03 /

377.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-1.4	+2.0	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-1.7	+1.8	+3.3

Chebyshev(coeffs=[[-5.91171,-0.865302,-0.246141,-0.0165807],[15.556,0.527898,0.0474237,-0.0450881],[-0.117639,0.167249,0.0523191,-0.00984651],[-0.136137,-0.00035902,0.0263177,0.00748367],[-0.0776739,-0.0160581,0.00611902,0.0080804],[-0.0360531,-0.00889238,-0.00277503,0.00330619]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.96
S298 (cal/mol*K) = 33.20
G298 (kcal/mol) = 41.07

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(99); H(25), C3H5(129); C7H9(5)+H(25)(+M)=>C3H5(129)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.912e+00 -8.653e-01 -2.461e-01 -1.658e-02 / CHEB/ 1.556e+01 5.279e-01 4.742e-02 -4.509e-02 / CHEB/ -1.176e-01 1.672e-01 5.232e-02 -9.847e-03 / CHEB/ -1.361e-01 -3.590e-04 2.632e-02 7.484e-03 / CHEB/ -7.767e-02 -1.606e-02 6.119e-03 8.080e-03 / CHEB/ -3.605e-02 -8.892e-03 -2.775e-03 3.306e-03 /

378.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	+0.1	+2.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-0.4	+2.1	+3.2

Chebyshev(coeffs=[[-0.496564,-1.19766,-0.218401,-0.0453731],[9.60055,0.623516,-0.0080704,0.00220445],[0.268979,0.243201,0.0137563,-0.00910163],[-0.0846839,0.0511542,0.020907,-0.0142173],[-0.0752071,-0.000776798,0.023486,-0.00261529],[-0.0239524,-0.00895893,0.0110716,0.00465013]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.15
S298 (cal/mol*K) = 10.28
G298 (kcal/mol) = 24.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(130); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(130)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.966e-01 -1.198e+00 -2.184e-01 -4.537e-02 / CHEB/ 9.601e+00 6.235e-01 -8.070e-03 2.204e-03 / CHEB/ 2.690e-01 2.432e-01 1.376e-02 -9.102e-03 / CHEB/ -8.468e-02 5.115e-02 2.091e-02 -1.422e-02 / CHEB/ -7.521e-02 -7.768e-04 2.349e-02 -2.615e-03 / CHEB/ -2.395e-02 -8.959e-03 1.107e-02 4.650e-03 /

379.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-3.2	+0.4	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-15.2	-3.5	+0.2	+1.9

Chebyshev(coeffs=[[-7.69703,-0.900503,-0.240285,-0.0167573],[15.6554,0.545326,0.0354746,-0.0430351],[0.0615436,0.174426,0.0505501,-0.0118868],[-0.0858481,0.002901,0.0283319,0.00573428],[-0.0613979,-0.0159516,0.00802362,0.00817779],[-0.0292311,-0.00946682,-0.00219457,0.00391138]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.75
S298 (cal/mol*K) = 19.86
G298 (kcal/mol) = 43.83

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(131); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(131)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.697e+00 -9.005e-01 -2.403e-01 -1.676e-02 / CHEB/ 1.566e+01 5.453e-01 3.547e-02 -4.304e-02 / CHEB/ 6.154e-02 1.744e-01 5.055e-02 -1.189e-02 / CHEB/ -8.585e-02 2.901e-03 2.833e-02 5.734e-03 / CHEB/ -6.140e-02 -1.595e-02 8.024e-03 8.178e-03 / CHEB/ -2.923e-02 -9.467e-03 -2.195e-03 3.911e-03 /

380.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-4.6	-0.8	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-4.9	-1.0	+0.8

Chebyshev(coeffs=[[-9.7329,-0.857095,-0.247419,-0.0167054],[16.6202,0.523745,0.0501844,-0.0453491],[0.0805813,0.165559,0.0526623,-0.00936056],[-0.0773796,-0.00107794,0.025808,0.00784962],[-0.0581249,-0.0160557,0.00569256,0.0080341],[-0.0294289,-0.00874968,-0.00288718,0.00316305]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.75
S298 (cal/mol*K) = 17.16
G298 (kcal/mol) = 47.64

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(132); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(132)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.733e+00 -8.571e-01 -2.474e-01 -1.671e-02 / CHEB/ 1.662e+01 5.237e-01 5.018e-02 -4.535e-02 / CHEB/ 8.058e-02 1.656e-01 5.266e-02 -9.361e-03 / CHEB/ -7.738e-02 -1.078e-03 2.581e-02 7.850e-03 / CHEB/ -5.812e-02 -1.606e-02 5.693e-03 8.034e-03 / CHEB/ -2.943e-02 -8.750e-03 -2.887e-03 3.163e-03 /

381.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-2.5	+1.6	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-2.7	+1.5	+3.3

Chebyshev(coeffs=[[-8.94716,-0.722061,-0.260953,-0.0257217],[18.6088,0.449901,0.0905436,-0.0397877],[-0.113181,0.138281,0.0543299,-0.00127192],[-0.129864,-0.010976,0.0163998,0.0116042],[-0.0760321,-0.0146566,1.63649e-05,0.00619871],[-0.0397096,-0.00613597,-0.00366245,0.000878892]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.90
S298 (cal/mol*K) = 33.17
G298 (kcal/mol) = 51.02

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(133); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C5H7(133)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.947e+00 -7.221e-01 -2.610e-01 -2.572e-02 / CHEB/ 1.861e+01 4.499e-01 9.054e-02 -3.979e-02 / CHEB/ -1.132e-01 1.383e-01 5.433e-02 -1.272e-03 / CHEB/ -1.299e-01 -1.098e-02 1.640e-02 1.160e-02 / CHEB/ -7.603e-02 -1.466e-02 1.636e-05 6.199e-03 / CHEB/ -3.971e-02 -6.136e-03 -3.662e-03 8.789e-04 /

382.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-1.7	+1.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-2.1	+1.5	+3.1

Chebyshev(coeffs=[[-5.29036,-0.980345,-0.223131,-0.0216402],[14.3115,0.590625,0.0120262,-0.0302246],[0.165834,0.196926,0.0468566,-0.0151459],[-0.0548629,0.0142017,0.0334673,0.00117328],[-0.0493189,-0.0140051,0.013895,0.00824741],[-0.0209987,-0.0102621,0.000263636,0.00558504]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.55
S298 (cal/mol*K) = 16.06
G298 (kcal/mol) = 38.77

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(134); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(134)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.290e+00 -9.803e-01 -2.231e-01 -2.164e-02 / CHEB/ 1.431e+01 5.906e-01 1.203e-02 -3.022e-02 / CHEB/ 1.658e-01 1.969e-01 4.686e-02 -1.515e-02 / CHEB/ -5.486e-02 1.420e-02 3.347e-02 1.173e-03 / CHEB/ -4.932e-02 -1.401e-02 1.389e-02 8.247e-03 / CHEB/ -2.100e-02 -1.026e-02 2.636e-04 5.585e-03 /

383.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-1.7	+1.7	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-2.1	+1.5	+3.1

Chebyshev(coeffs=[[-5.28675,-0.979794,-0.222948,-0.0215364],[14.3152,0.590736,0.0120464,-0.0302547],[0.166012,0.196504,0.0467719,-0.0151997],[-0.0556842,0.013905,0.0334136,0.00119649],[-0.0499956,-0.014113,0.0138346,0.00826534],[-0.0214066,-0.0102869,0.000205655,0.00556506]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.55
S298 (cal/mol*K) = 16.06
G298 (kcal/mol) = 38.77

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(135); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(135)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.287e+00 -9.798e-01 -2.229e-01 -2.154e-02 / CHEB/ 1.432e+01 5.907e-01 1.205e-02 -3.025e-02 / CHEB/ 1.660e-01 1.965e-01 4.677e-02 -1.520e-02 / CHEB/ -5.568e-02 1.391e-02 3.341e-02 1.196e-03 / CHEB/ -5.000e-02 -1.411e-02 1.383e-02 8.265e-03 / CHEB/ -2.141e-02 -1.029e-02 2.057e-04 5.565e-03 /

384.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-4.0	-0.1	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-4.4	-0.2	+1.7

Chebyshev(coeffs=[[-9.60361,-0.826191,-0.251895,-0.0176736],[17.3114,0.507609,0.0604209,-0.0456521],[0.0934143,0.159315,0.0536697,-0.00751266],[-0.0719651,-0.00365572,0.0238001,0.00907742],[-0.0562411,-0.0159464,0.00416448,0.00778497],[-0.0296662,-0.00820174,-0.0032296,0.00262553]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.95
S298 (cal/mol*K) = 16.74
G298 (kcal/mol) = 49.96

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(136); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(136)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.604e+00 -8.262e-01 -2.519e-01 -1.767e-02 / CHEB/ 1.731e+01 5.076e-01 6.042e-02 -4.565e-02 / CHEB/ 9.341e-02 1.593e-01 5.367e-02 -7.513e-03 / CHEB/ -7.197e-02 -3.656e-03 2.380e-02 9.077e-03 / CHEB/ -5.624e-02 -1.595e-02 4.164e-03 7.785e-03 / CHEB/ -2.967e-02 -8.202e-03 -3.230e-03 2.626e-03 /

385.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-0.6	+2.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-1.0	+2.2	+3.5

Chebyshev(coeffs=[[-3.80117,-1.04517,-0.226879,-0.0149594],[13.5474,0.659458,0.0140634,-0.0377137],[0.0185917,0.195641,0.0493818,-0.0139242],[-0.125059,0.0131358,0.0328477,0.00104913],[-0.0839763,-0.0211566,0.0109482,0.00771052],[-0.0360544,-0.0172704,-0.00274232,0.00451676]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.33
S298 (cal/mol*K) = 24.99
G298 (kcal/mol) = 33.88

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(94); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(94)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.801e+00 -1.045e+00 -2.269e-01 -1.496e-02 / CHEB/ 1.355e+01 6.595e-01 1.406e-02 -3.771e-02 / CHEB/ 1.859e-02 1.956e-01 4.938e-02 -1.392e-02 / CHEB/ -1.251e-01 1.314e-02 3.285e-02 1.049e-03 / CHEB/ -8.398e-02 -2.116e-02 1.095e-02 7.711e-03 / CHEB/ -3.605e-02 -1.727e-02 -2.742e-03 4.517e-03 /

386.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+3.0	+4.1	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+2.3	+3.6	+4.1

Chebyshev(coeffs=[[5.83225,-1.51351,-0.206755,-0.0193458],[4.21711,0.720891,-0.0478756,-0.0166039],[0.431478,0.248437,0.0214375,-0.013534],[-0.146239,0.0642073,0.00456851,-0.00163772],[-0.115926,0.0348413,0.00573956,-0.00222917],[-0.0351712,0.0171701,0.0109324,-0.00520904]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.37
S298 (cal/mol*K) = -3.34
G298 (kcal/mol) = -1.37

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(138); H(25), C7H10(138); C7H9(5)+H(25)(+M)=>C7H10(138)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.832e+00 -1.514e+00 -2.068e-01 -1.935e-02 / CHEB/ 4.217e+00 7.209e-01 -4.788e-02 -1.660e-02 / CHEB/ 4.315e-01 2.484e-01 2.144e-02 -1.353e-02 / CHEB/ -1.462e-01 6.421e-02 4.569e-03 -1.638e-03 / CHEB/ -1.159e-01 3.484e-02 5.740e-03 -2.229e-03 / CHEB/ -3.517e-02 1.717e-02 1.093e-02 -5.209e-03 /

387.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	+0.9	+3.2	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-7.6	+0.3	+2.9	+4.1

Chebyshev(coeffs=[[-0.0968458,-1.17533,-0.216925,-0.0480824],[10.1463,0.620892,-0.0130499,0.00475665],[0.214395,0.237146,0.0172839,-0.0125009],[-0.0922725,0.044139,0.0234564,-0.0142584],[-0.0759876,-0.00440996,0.0226414,-0.000811775],[-0.0254609,-0.00976803,0.00943195,0.00542881]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.45
S298 (cal/mol*K) = -1.22
G298 (kcal/mol) = 23.82

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(139); H(25), C7H10(139); C7H9(5)+H(25)(+M)=>C7H10(139)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.685e-02 -1.175e+00 -2.169e-01 -4.808e-02 / CHEB/ 1.015e+01 6.209e-01 -1.305e-02 4.757e-03 / CHEB/ 2.144e-01 2.371e-01 1.728e-02 -1.250e-02 / CHEB/ -9.227e-02 4.414e-02 2.346e-02 -1.426e-02 / CHEB/ -7.599e-02 -4.410e-03 2.264e-02 -8.118e-04 / CHEB/ -2.546e-02 -9.768e-03 9.432e-03 5.429e-03 /

388.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+1.2	+3.5	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-7.2	+0.6	+3.2	+4.3

Chebyshev(coeffs=[[0.252207,-1.17508,-0.21689,-0.0480785],[10.0591,0.620902,-0.0130796,0.00475843],[0.19374,0.237092,0.0173206,-0.0125278],[-0.0983035,0.0440914,0.0234891,-0.01425],[-0.0779508,-0.00443301,0.0226384,-0.000792322],[-0.0261557,-0.00977414,0.00941781,0.00543561]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.32
S298 (cal/mol*K) = 0.26
G298 (kcal/mol) = 23.25

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(140); H(25), C7H10(140); C7H9(5)+H(25)(+M)=>C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.522e-01 -1.175e+00 -2.169e-01 -4.808e-02 / CHEB/ 1.006e+01 6.209e-01 -1.308e-02 4.758e-03 / CHEB/ 1.937e-01 2.371e-01 1.732e-02 -1.253e-02 / CHEB/ -9.830e-02 4.409e-02 2.349e-02 -1.425e-02 / CHEB/ -7.795e-02 -4.433e-03 2.264e-02 -7.923e-04 / CHEB/ -2.616e-02 -9.774e-03 9.418e-03 5.436e-03 /

389.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+1.1	+3.2	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-6.4	+0.5	+2.9	+3.9

Chebyshev(coeffs=[[1.13426,-1.24197,-0.228782,-0.0400886],[8.61691,0.634063,0.000588752,-0.00777988],[0.364921,0.248308,0.0107031,-0.00326092],[-0.0700087,0.0559752,0.0148181,-0.0134932],[-0.0879554,0.00287437,0.0227087,-0.00579756],[-0.022841,-0.00764076,0.012897,0.00301537]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.13
S298 (cal/mol*K) = -2.69
G298 (kcal/mol) = 7.94

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(141); H(25), C7H10(141); C7H9(5)+H(25)(+M)=>C7H10(141)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.134e+00 -1.242e+00 -2.288e-01 -4.009e-02 / CHEB/ 8.617e+00 6.341e-01 5.888e-04 -7.780e-03 / CHEB/ 3.649e-01 2.483e-01 1.070e-02 -3.261e-03 / CHEB/ -7.001e-02 5.598e-02 1.482e-02 -1.349e-02 / CHEB/ -8.796e-02 2.874e-03 2.271e-02 -5.798e-03 / CHEB/ -2.284e-02 -7.641e-03 1.290e-02 3.015e-03 /

390.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-1.9	+1.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-2.4	+0.9	+2.4

Chebyshev(coeffs=[[-4.66204,-1.04727,-0.215292,-0.0317861],[12.9948,0.610024,-0.0072966,-0.0168286],[0.168417,0.207681,0.0376443,-0.0180965],[-0.0493878,0.0195663,0.0326116,-0.00459722],[-0.0277635,-0.0143056,0.0170521,0.00646169],[-0.0309669,-0.011087,0.0022452,0.0061663]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.45
S298 (cal/mol*K) = -1.22
G298 (kcal/mol) = 23.82

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(142); H(25), C7H10(142); C7H9(5)+H(25)(+M)=>C7H10(142)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.662e+00 -1.047e+00 -2.153e-01 -3.179e-02 / CHEB/ 1.299e+01 6.100e-01 -7.297e-03 -1.683e-02 / CHEB/ 1.684e-01 2.077e-01 3.764e-02 -1.810e-02 / CHEB/ -4.939e-02 1.957e-02 3.261e-02 -4.597e-03 / CHEB/ -2.776e-02 -1.431e-02 1.705e-02 6.462e-03 / CHEB/ -3.097e-02 -1.109e-02 2.245e-03 6.166e-03 /

391.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	+0.1	+2.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-0.4	+2.0	+3.1

Chebyshev(coeffs=[[-0.547198,-1.37548,-0.327014,-0.0909873],[9.64061,0.795958,0.0845154,0.0336926],[0.170264,0.21409,0.00389193,-0.00897412],[-0.0930084,0.0360926,0.0126998,-0.0186378],[-0.0646387,0.00862251,0.0290597,-0.000345732],[-0.0174126,-0.000877134,0.0165735,0.00798718]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.52
S298 (cal/mol*K) = -0.16
G298 (kcal/mol) = 25.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(143); H(25), C7H10(143); C7H9(5)+H(25)(+M)=>C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.472e-01 -1.375e+00 -3.270e-01 -9.099e-02 / CHEB/ 9.641e+00 7.960e-01 8.452e-02 3.369e-02 / CHEB/ 1.703e-01 2.141e-01 3.892e-03 -8.974e-03 / CHEB/ -9.301e-02 3.609e-02 1.270e-02 -1.864e-02 / CHEB/ -6.464e-02 8.623e-03 2.906e-02 -3.457e-04 / CHEB/ -1.741e-02 -8.771e-04 1.657e-02 7.987e-03 /

392.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	+0.2	+2.6	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-0.3	+2.4	+3.8

Chebyshev(coeffs=[[0.481733,-1.20305,-0.215075,-0.0382653],[8.67706,0.698825,0.0242317,-0.00351126],[0.54943,0.288377,0.026725,-0.000858988],[0.0862853,0.0652993,0.0220976,-0.0112131],[0.00845083,-0.0077919,0.0238669,-0.00363729],[0.0055793,-0.0240894,0.0110042,0.00485111]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.32
S298 (cal/mol*K) = 2.96
G298 (kcal/mol) = 19.44

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(144); H(25), C7H10(144); C7H9(5)+H(25)(+M)=>C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.817e-01 -1.203e+00 -2.151e-01 -3.827e-02 / CHEB/ 8.677e+00 6.988e-01 2.423e-02 -3.511e-03 / CHEB/ 5.494e-01 2.884e-01 2.673e-02 -8.590e-04 / CHEB/ 8.629e-02 6.530e-02 2.210e-02 -1.121e-02 / CHEB/ 8.451e-03 -7.792e-03 2.387e-02 -3.637e-03 / CHEB/ 5.579e-03 -2.409e-02 1.100e-02 4.851e-03 /

393.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+0.1	+1.5	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-5.4	-0.6	+1.1	+1.8

Chebyshev(coeffs=[[2.14376,-1.42945,-0.221731,-0.0158912],[5.48662,0.694132,-0.02348,-0.0286376],[0.428167,0.247703,0.0204906,-0.00532859],[-0.123762,0.0690384,0.00311561,-0.00160592],[-0.106437,0.0298499,0.0114158,-0.00594244],[-0.0296582,0.00993564,0.0149602,-0.00473127]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.95
S298 (cal/mol*K) = -8.45
G298 (kcal/mol) = 10.47

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(145); H(25), C7H10(145); C7H9(5)+H(25)(+M)=>C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.144e+00 -1.429e+00 -2.217e-01 -1.589e-02 / CHEB/ 5.487e+00 6.941e-01 -2.348e-02 -2.864e-02 / CHEB/ 4.282e-01 2.477e-01 2.049e-02 -5.329e-03 / CHEB/ -1.238e-01 6.904e-02 3.116e-03 -1.606e-03 / CHEB/ -1.064e-01 2.985e-02 1.142e-02 -5.942e-03 / CHEB/ -2.966e-02 9.936e-03 1.496e-02 -4.731e-03 /

394.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+0.8	+2.6	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-5.3	+0.2	+2.2	+3.2

Chebyshev(coeffs=[[2.39265,-1.37172,-0.222443,-0.0179424],[6.37005,0.722131,-0.00788865,-0.0304105],[0.596993,0.259425,0.025219,-0.00173511],[-0.0650639,0.0730042,0.00830442,-0.00243478],[-0.0764935,0.0243974,0.0181726,-0.00681363],[-0.0143475,0.00295219,0.0176062,-0.00246206]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.73
S298 (cal/mol*K) = -4.64
G298 (kcal/mol) = 7.12

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(146); H(25), C7H10(146); C7H9(5)+H(25)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.393e+00 -1.372e+00 -2.224e-01 -1.794e-02 / CHEB/ 6.370e+00 7.221e-01 -7.889e-03 -3.041e-02 / CHEB/ 5.970e-01 2.594e-01 2.522e-02 -1.735e-03 / CHEB/ -6.506e-02 7.300e-02 8.304e-03 -2.435e-03 / CHEB/ -7.649e-02 2.440e-02 1.817e-02 -6.814e-03 / CHEB/ -1.435e-02 2.952e-03 1.761e-02 -2.462e-03 /

395.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+1.7	+2.7	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+1.0	+2.2	+2.6

Chebyshev(coeffs=[[4.94074,-1.56321,-0.201449,-0.0227307],[3.59309,0.721509,-0.0568967,-0.00834818],[0.417968,0.25,0.0161455,-0.0169565],[-0.153773,0.0596189,0.00537155,-0.00343277],[-0.121139,0.034674,0.00340934,-0.000360132],[-0.0395983,0.0208621,0.00766262,-0.00463686]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.15
S298 (cal/mol*K) = -8.10
G298 (kcal/mol) = 0.27

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(147); H(25), C7H10(147); C7H9(5)+H(25)(+M)=>C7H10(147)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.941e+00 -1.563e+00 -2.014e-01 -2.273e-02 / CHEB/ 3.593e+00 7.215e-01 -5.690e-02 -8.348e-03 / CHEB/ 4.180e-01 2.500e-01 1.615e-02 -1.696e-02 / CHEB/ -1.538e-01 5.962e-02 5.372e-03 -3.433e-03 / CHEB/ -1.211e-01 3.467e-02 3.409e-03 -3.601e-04 / CHEB/ -3.960e-02 2.086e-02 7.663e-03 -4.637e-03 /

396.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.9	+2.9	+3.2	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+2.1	+2.7	+2.8

Chebyshev(coeffs=[[7.11388,-1.67982,-0.192955,-0.0280748],[1.95396,0.676154,-0.0579715,0.009534],[0.164229,0.267516,0.002306,-0.0158433],[-0.172943,0.0625253,0.00494777,-0.0089458],[-0.122286,0.0365313,0.00482977,0.00163817],[-0.0414393,0.0320265,0.00312506,-0.00159867]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.65
S298 (cal/mol*K) = -15.32
G298 (kcal/mol) = -13.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(148); H(25), C7H10(148); C7H9(5)+H(25)(+M)=>C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.114e+00 -1.680e+00 -1.930e-01 -2.807e-02 / CHEB/ 1.954e+00 6.762e-01 -5.797e-02 9.534e-03 / CHEB/ 1.642e-01 2.675e-01 2.306e-03 -1.584e-02 / CHEB/ -1.729e-01 6.253e-02 4.948e-03 -8.946e-03 / CHEB/ -1.223e-01 3.653e-02 4.830e-03 1.638e-03 / CHEB/ -4.144e-02 3.203e-02 3.125e-03 -1.599e-03 /

397.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+1.3	+2.8	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+0.6	+2.5	+3.5

Chebyshev(coeffs=[[3.95985,-1.43276,-0.200111,-0.0156613],[4.89903,0.788653,-0.0156417,-0.0202942],[0.632935,0.297407,0.0379615,-0.00888694],[0.0121881,0.086185,0.0119092,-0.000571202],[-0.0234782,0.0297402,0.0106831,-0.00313876],[0.0101986,-0.00118353,0.0123764,-0.00409919]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.53
S298 (cal/mol*K) = -6.13
G298 (kcal/mol) = 6.36

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(149); H(25), C7H10(149); C7H9(5)+H(25)(+M)=>C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.960e+00 -1.433e+00 -2.001e-01 -1.566e-02 / CHEB/ 4.899e+00 7.887e-01 -1.564e-02 -2.029e-02 / CHEB/ 6.329e-01 2.974e-01 3.796e-02 -8.887e-03 / CHEB/ 1.219e-02 8.619e-02 1.191e-02 -5.712e-04 / CHEB/ -2.348e-02 2.974e-02 1.068e-02 -3.139e-03 / CHEB/ 1.020e-02 -1.184e-03 1.238e-02 -4.099e-03 /

398.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+4.8	+5.6	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+0.9	+4.0	+5.1	+5.5

Chebyshev(coeffs=[[8.48024,-1.48318,-0.123109,0.00155775],[2.92455,0.532759,-0.166088,-0.0384939],[0.454282,0.327903,0.0422258,-0.0106277],[-0.127607,0.0655553,0.0135953,-0.000557674],[-0.120499,0.0235321,-0.00279732,-0.00153402],[-0.0400861,0.0241813,0.00411506,-0.00437133]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -47.16
S298 (cal/mol*K) = -13.64
G298 (kcal/mol) = -43.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(150); H(25), C7H10(150); C7H9(5)+H(25)(+M)=>C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.480e+00 -1.483e+00 -1.231e-01 1.558e-03 / CHEB/ 2.925e+00 5.328e-01 -1.661e-01 -3.849e-02 / CHEB/ 4.543e-01 3.279e-01 4.223e-02 -1.063e-02 / CHEB/ -1.276e-01 6.556e-02 1.360e-02 -5.577e-04 / CHEB/ -1.205e-01 2.353e-02 -2.797e-03 -1.534e-03 / CHEB/ -4.009e-02 2.418e-02 4.115e-03 -4.371e-03 /

399.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+3.9	+5.2	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+3.2	+4.7	+5.3

Chebyshev(coeffs=[[6.45071,-1.49563,-0.211058,-0.0183502],[4.73788,0.711615,-0.044919,-0.0206354],[0.477755,0.243559,0.0203458,-0.0122005],[-0.13211,0.0621536,0.00245108,-0.00171143],[-0.113636,0.0315287,0.00570554,-0.00349613],[-0.03534,0.0136581,0.0112458,-0.00555897]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.67
S298 (cal/mol*K) = 0.96
G298 (kcal/mol) = 3.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(151); H(25), C7H10(151); C7H9(5)+H(25)(+M)=>C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.451e+00 -1.496e+00 -2.111e-01 -1.835e-02 / CHEB/ 4.738e+00 7.116e-01 -4.492e-02 -2.064e-02 / CHEB/ 4.778e-01 2.436e-01 2.035e-02 -1.220e-02 / CHEB/ -1.321e-01 6.215e-02 2.451e-03 -1.711e-03 / CHEB/ -1.136e-01 3.153e-02 5.706e-03 -3.496e-03 / CHEB/ -3.534e-02 1.366e-02 1.125e-02 -5.559e-03 /

400.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+2.3	+4.3	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+2.7	+4.9	+5.9

Chebyshev(coeffs=[[1.97564,0.595076,-0.306092,-0.0687277],[8.99055,0.792899,0.0769335,0.0179353],[0.175366,0.218314,0.00383883,-0.000665196],[-0.149549,0.0595253,0.0114942,-0.0136968],[-0.0843858,0.00467047,0.0199317,-0.00720362],[-0.00762103,-0.00784418,0.0121408,0.00120334]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.51
S298 (cal/mol*K) = 13.89
G298 (kcal/mol) = 18.37

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(152); H(25), C7H10(152); C7H9(5)+H(25)(+M)=>C7H10(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.976e+00 5.951e-01 -3.061e-01 -6.873e-02 / CHEB/ 8.991e+00 7.929e-01 7.693e-02 1.794e-02 / CHEB/ 1.754e-01 2.183e-01 3.839e-03 -6.652e-04 / CHEB/ -1.495e-01 5.953e-02 1.149e-02 -1.370e-02 / CHEB/ -8.439e-02 4.670e-03 1.993e-02 -7.204e-03 / CHEB/ -7.621e-03 -7.844e-03 1.214e-02 1.203e-03 /

401.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+3.1	+5.4	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-5.1	+2.5	+5.1	+6.2

Chebyshev(coeffs=[[2.35952,-1.19832,-0.220701,-0.0473805],[9.74554,0.621169,-0.00933099,0.00319594],[0.263408,0.241503,0.014053,-0.00965051],[-0.0866573,0.0488313,0.0204103,-0.0147184],[-0.0763595,-0.00186263,0.0228373,-0.00260458],[-0.0248022,-0.00899865,0.0107599,0.0047116]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.51
S298 (cal/mol*K) = 13.89
G298 (kcal/mol) = 18.37

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(153); H(25), C7H10(153); C7H9(5)+H(25)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.360e+00 -1.198e+00 -2.207e-01 -4.738e-02 / CHEB/ 9.746e+00 6.212e-01 -9.331e-03 3.196e-03 / CHEB/ 2.634e-01 2.415e-01 1.405e-02 -9.651e-03 / CHEB/ -8.666e-02 4.883e-02 2.041e-02 -1.472e-02 / CHEB/ -7.636e-02 -1.863e-03 2.284e-02 -2.605e-03 / CHEB/ -2.480e-02 -8.999e-03 1.076e-02 4.712e-03 /

402.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+1.8	+3.8	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+1.2	+3.5	+4.5

Chebyshev(coeffs=[[1.49424,-1.21385,-0.223547,-0.0458725],[9.00369,0.621635,-0.0065372,0.000787707],[0.191805,0.243896,0.0122206,-0.00760212],[-0.11401,0.0518341,0.018235,-0.0146451],[-0.08703,2.54858e-05,0.0227509,-0.0037985],[-0.0280323,-0.0083515,0.0115894,0.00410494]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.99
S298 (cal/mol*K) = 13.44
G298 (kcal/mol) = 15.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(154); H(25), C7H10(154); C7H9(5)+H(25)(+M)=>C7H10(154)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.494e+00 -1.214e+00 -2.235e-01 -4.587e-02 / CHEB/ 9.004e+00 6.216e-01 -6.537e-03 7.877e-04 / CHEB/ 1.918e-01 2.439e-01 1.222e-02 -7.602e-03 / CHEB/ -1.140e-01 5.183e-02 1.824e-02 -1.465e-02 / CHEB/ -8.703e-02 2.549e-05 2.275e-02 -3.798e-03 / CHEB/ -2.803e-02 -8.351e-03 1.159e-02 4.105e-03 /

403.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-0.1	+2.4	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-0.6	+2.1	+3.2

Chebyshev(coeffs=[[-1.10169,-1.17065,-0.216268,-0.0479992],[10.2839,0.620841,-0.0136889,0.00476201],[0.21698,0.236135,0.0179901,-0.0130318],[-0.0899059,0.0431573,0.0240337,-0.0140888],[-0.0747693,-0.00489497,0.0225521,-0.000453773],[-0.0251987,-0.00990256,0.00914807,0.00554606]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.26
S298 (cal/mol*K) = -5.37
G298 (kcal/mol) = 26.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(155); H(25), C7H10(155); C7H9(5)+H(25)(+M)=>C7H10(155)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.102e+00 -1.171e+00 -2.163e-01 -4.800e-02 / CHEB/ 1.028e+01 6.208e-01 -1.369e-02 4.762e-03 / CHEB/ 2.170e-01 2.361e-01 1.799e-02 -1.303e-02 / CHEB/ -8.991e-02 4.316e-02 2.403e-02 -1.409e-02 / CHEB/ -7.477e-02 -4.895e-03 2.255e-02 -4.538e-04 / CHEB/ -2.520e-02 -9.903e-03 9.148e-03 5.546e-03 /

404.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	+1.1	+2.3	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-0.2	+1.6	+1.6

Chebyshev(coeffs=[[0.701628,-2.80802,-0.118589,0.00703404],[8.04168,1.17024,-0.283669,-0.0119388],[0.0794859,0.728176,0.0342967,-0.0462421],[-0.53218,0.17935,0.100642,-0.009538],[-0.31895,-0.037299,0.0424175,0.0102987],[-0.107346,-0.0380006,-0.00790611,0.00582323]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.49
S298 (cal/mol*K) = 22.70
G298 (kcal/mol) = 9.73

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(156); H(25), C3H5(98); C7H9(5)+H(25)(+M)=>C4H5(156)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.016e-01 -2.808e+00 -1.186e-01 7.034e-03 / CHEB/ 8.042e+00 1.170e+00 -2.837e-01 -1.194e-02 / CHEB/ 7.949e-02 7.282e-01 3.430e-02 -4.624e-02 / CHEB/ -5.322e-01 1.794e-01 1.006e-01 -9.538e-03 / CHEB/ -3.189e-01 -3.730e-02 4.242e-02 1.030e-02 / CHEB/ -1.073e-01 -3.800e-02 -7.906e-03 5.823e-03 /

405.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	-3.6	-1.6	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-4.7	-2.2	-1.6

Chebyshev(coeffs=[[-6.49735,-2.66791,-0.244841,0.0293382],[11.927,1.53514,-0.16028,-0.0617564],[-0.140149,0.628279,0.10237,-0.0361493],[-0.481944,0.069623,0.0901557,-0.000812293],[-0.259624,-0.0636565,0.0183268,0.0125781],[-0.0797073,-0.0320085,-0.0137769,0.00550064]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.42
S298 (cal/mol*K) = 13.46
G298 (kcal/mol) = 29.41

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(157); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(157)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.497e+00 -2.668e+00 -2.448e-01 2.934e-02 / CHEB/ 1.193e+01 1.535e+00 -1.603e-01 -6.176e-02 / CHEB/ -1.401e-01 6.283e-01 1.024e-01 -3.615e-02 / CHEB/ -4.819e-01 6.962e-02 9.016e-02 -8.123e-04 / CHEB/ -2.596e-01 -6.366e-02 1.833e-02 1.258e-02 / CHEB/ -7.971e-02 -3.201e-02 -1.378e-02 5.501e-03 /

406.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.4	-4.5	-2.2	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-5.2	-2.5	-1.8

Chebyshev(coeffs=[[-9.47986,-2.12314,-0.423213,0.0218696],[15.1709,1.5585,0.09318,-0.0939613],[-0.680155,0.406648,0.150513,-0.0115796],[-0.504005,-0.0542037,0.0508415,0.0201081],[-0.213339,-0.0749921,-0.0130471,0.0114796],[-0.0632839,-0.0173898,-0.0165218,-0.00104791]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.34
S298 (cal/mol*K) = 32.90
G298 (kcal/mol) = 40.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(158); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C5H7(158)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.480e+00 -2.123e+00 -4.232e-01 2.187e-02 / CHEB/ 1.517e+01 1.559e+00 9.318e-02 -9.396e-02 / CHEB/ -6.802e-01 4.066e-01 1.505e-01 -1.158e-02 / CHEB/ -5.040e-01 -5.420e-02 5.084e-02 2.011e-02 / CHEB/ -2.133e-01 -7.499e-02 -1.305e-02 1.148e-02 / CHEB/ -6.328e-02 -1.739e-02 -1.652e-02 -1.048e-03 /

407.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-3.2	+0.3	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-3.7	+0.1	+1.9

Chebyshev(coeffs=[[-5.89157,-1.50586,-0.092925,0.00398729],[13.1831,1.03284,-0.133551,-0.0537292],[0.606302,0.427987,0.044364,-0.0271941],[0.0416525,-0.00628822,0.0575212,-0.000603924],[-0.00130368,-0.102152,0.0250587,0.0175222],[-0.00682654,-0.0540249,-0.00557324,0.012165]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.49
S298 (cal/mol*K) = 14.22
G298 (kcal/mol) = 31.25

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(159); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(159)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.892e+00 -1.506e+00 -9.293e-02 3.987e-03 / CHEB/ 1.318e+01 1.033e+00 -1.336e-01 -5.373e-02 / CHEB/ 6.063e-01 4.280e-01 4.436e-02 -2.719e-02 / CHEB/ 4.165e-02 -6.288e-03 5.752e-02 -6.039e-04 / CHEB/ -1.304e-03 -1.022e-01 2.506e-02 1.752e-02 / CHEB/ -6.827e-03 -5.402e-02 -5.573e-03 1.217e-02 /

408.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.2	-5.8	-3.4	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-18.1	-6.6	-3.8	-3.1

Chebyshev(coeffs=[[-9.85569,-2.42777,-0.338781,0.0317714],[13.8862,1.62284,-0.0354198,-0.0846007],[-0.319639,0.531045,0.135201,-0.0273182],[-0.454334,-0.00255983,0.0754823,0.0099118],[-0.227972,-0.0783145,0.00152662,0.0141087],[-0.0359245,-0.0287198,-0.0167547,0.00299685]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.22
S298 (cal/mol*K) = 13.34
G298 (kcal/mol) = 37.25

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(160); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(160)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.856e+00 -2.428e+00 -3.388e-01 3.177e-02 / CHEB/ 1.389e+01 1.623e+00 -3.542e-02 -8.460e-02 / CHEB/ -3.196e-01 5.310e-01 1.352e-01 -2.732e-02 / CHEB/ -4.543e-01 -2.560e-03 7.548e-02 9.912e-03 / CHEB/ -2.280e-01 -7.831e-02 1.527e-03 1.411e-02 / CHEB/ -3.592e-02 -2.872e-02 -1.675e-02 2.997e-03 /

409.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.2	-9.8	-6.4	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-24.5	-10.2	-6.5	-5.2

Chebyshev(coeffs=[[-17.0826,-1.62404,-0.488568,-0.015967],[19.0366,1.32347,0.251947,-0.0738695],[-0.551926,0.237636,0.137545,0.0198422],[-0.398803,-0.0920516,0.00798857,0.0229905],[-0.158896,-0.0587171,-0.0254757,0.00156351],[-0.0493511,-0.00495174,-0.0109353,-0.00501721]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.52
S298 (cal/mol*K) = 18.96
G298 (kcal/mol) = 56.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(161); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(161)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.708e+01 -1.624e+00 -4.886e-01 -1.597e-02 / CHEB/ 1.904e+01 1.323e+00 2.519e-01 -7.387e-02 / CHEB/ -5.519e-01 2.376e-01 1.375e-01 1.984e-02 / CHEB/ -3.988e-01 -9.205e-02 7.989e-03 2.299e-02 / CHEB/ -1.589e-01 -5.872e-02 -2.548e-02 1.564e-03 / CHEB/ -4.935e-02 -4.952e-03 -1.094e-02 -5.017e-03 /

410.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.2	-9.8	-6.4	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-24.5	-10.2	-6.5	-5.2

H298 (kcal/mol) = 62.52
S298 (cal/mol*K) = 18.96
G298 (kcal/mol) = 56.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(162); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(162)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.708e+01 -1.624e+00 -4.886e-01 -1.597e-02 / CHEB/ 1.904e+01 1.323e+00 2.519e-01 -7.387e-02 / CHEB/ -5.519e-01 2.376e-01 1.375e-01 1.984e-02 / CHEB/ -3.988e-01 -9.205e-02 7.989e-03 2.299e-02 / CHEB/ -1.589e-01 -5.872e-02 -2.548e-02 1.564e-03 / CHEB/ -4.935e-02 -4.952e-03 -1.094e-02 -5.017e-03 /

411.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-9.0	-5.7	-4.6
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-9.5	-5.9	-4.7

Chebyshev(coeffs=[[-15.6709,-1.79182,-0.475224,-0.000243224],[18.1055,1.41834,0.205503,-0.0863671],[-0.527645,0.289508,0.147225,0.00985342],[-0.411177,-0.0846842,0.021975,0.0242592],[-0.168216,-0.0652438,-0.0231046,0.00516996],[-0.0505828,-0.00867772,-0.01335,-0.00424918]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.02
S298 (cal/mol*K) = 18.96
G298 (kcal/mol) = 53.37

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(163); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(163)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.567e+01 -1.792e+00 -4.752e-01 -2.432e-04 / CHEB/ 1.811e+01 1.418e+00 2.055e-01 -8.637e-02 / CHEB/ -5.276e-01 2.895e-01 1.472e-01 9.853e-03 / CHEB/ -4.112e-01 -8.468e-02 2.198e-02 2.426e-02 / CHEB/ -1.682e-01 -6.524e-02 -2.310e-02 5.170e-03 / CHEB/ -5.058e-02 -8.678e-03 -1.335e-02 -4.249e-03 /

412.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-8.5	-5.1	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-23.0	-8.9	-5.2	-3.9

Chebyshev(coeffs=[[-15.5378,-1.69428,-0.48415,-0.00902076],[18.7408,1.36472,0.233542,-0.0798706],[-0.521765,0.25877,0.142168,0.0158663],[-0.397801,-0.0894868,0.0137286,0.023777],[-0.160663,-0.0615097,-0.0247016,0.0030591],[-0.049043,-0.00647871,-0.0119877,-0.00476606]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.22
S298 (cal/mol*K) = 18.54
G298 (kcal/mol) = 55.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(164); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.554e+01 -1.694e+00 -4.841e-01 -9.021e-03 / CHEB/ 1.874e+01 1.365e+00 2.335e-01 -7.987e-02 / CHEB/ -5.218e-01 2.588e-01 1.422e-01 1.587e-02 / CHEB/ -3.978e-01 -8.949e-02 1.373e-02 2.378e-02 / CHEB/ -1.607e-01 -6.151e-02 -2.470e-02 3.059e-03 / CHEB/ -4.904e-02 -6.479e-03 -1.199e-02 -4.766e-03 /

413.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-0.5	+0.8	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-1.9	-0.1	+0.1

Chebyshev(coeffs=[[-0.661525,-2.80886,-0.103176,-0.000203259],[7.72173,1.07423,-0.291883,0.00111501],[0.213856,0.737495,0.0179212,-0.0491554],[-0.514626,0.200524,0.100693,-0.0110888],[-0.318712,-0.0306764,0.0471408,0.0106524],[-0.108943,-0.0392985,-0.00620535,0.00589799]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.94
S298 (cal/mol*K) = 0.17
G298 (kcal/mol) = 7.89

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(165); H(25), C7H10(165); C7H9(5)+H(25)(+M)=>C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.615e-01 -2.809e+00 -1.032e-01 -2.033e-04 / CHEB/ 7.722e+00 1.074e+00 -2.919e-01 1.115e-03 / CHEB/ 2.139e-01 7.375e-01 1.792e-02 -4.916e-02 / CHEB/ -5.146e-01 2.005e-01 1.007e-01 -1.109e-02 / CHEB/ -3.187e-01 -3.068e-02 4.714e-02 1.065e-02 / CHEB/ -1.089e-01 -3.930e-02 -6.205e-03 5.898e-03 /

414.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-0.4	+0.9	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-1.8	+0.1	+0.2

Chebyshev(coeffs=[[-0.651954,-2.80893,-0.103715,0.000113785],[7.86187,1.07813,-0.291674,0.000556307],[0.236706,0.737198,0.0185989,-0.0490266],[-0.507022,0.199699,0.100701,-0.0110258],[-0.316009,-0.0309596,0.0469539,0.0106354],[-0.107911,-0.0392481,-0.00627804,0.00589046]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.34
S298 (cal/mol*K) = 0.82
G298 (kcal/mol) = 8.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(166); H(25), C7H10(166); C7H9(5)+H(25)(+M)=>C7H10(166)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.520e-01 -2.809e+00 -1.037e-01 1.138e-04 / CHEB/ 7.862e+00 1.078e+00 -2.917e-01 5.563e-04 / CHEB/ 2.367e-01 7.372e-01 1.860e-02 -4.903e-02 / CHEB/ -5.070e-01 1.997e-01 1.007e-01 -1.103e-02 / CHEB/ -3.160e-01 -3.096e-02 4.695e-02 1.064e-02 / CHEB/ -1.079e-01 -3.925e-02 -6.278e-03 5.890e-03 /

415.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-1.5	+0.6	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-2.3	+0.3	+1.5

Chebyshev(coeffs=[[-0.0400642,-1.84447,-0.0143756,0.0288365],[6.69281,1.1296,-0.214068,-0.0477439],[0.953717,0.472161,-0.0102656,-0.0721444],[-0.0470087,0.0990905,0.056674,0.00742969],[-0.0637447,-0.0261497,0.0269989,0.0166587],[0.0189746,-0.0621462,0.00494761,0.00475733]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.05
S298 (cal/mol*K) = -4.90
G298 (kcal/mol) = -1.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(167); H(25), C7H10(167); C7H9(5)+H(25)(+M)=>C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.006e-02 -1.844e+00 -1.438e-02 2.884e-02 / CHEB/ 6.693e+00 1.130e+00 -2.141e-01 -4.774e-02 / CHEB/ 9.537e-01 4.722e-01 -1.027e-02 -7.214e-02 / CHEB/ -4.701e-02 9.909e-02 5.667e-02 7.430e-03 / CHEB/ -6.374e-02 -2.615e-02 2.700e-02 1.666e-02 / CHEB/ 1.897e-02 -6.215e-02 4.948e-03 4.757e-03 /

416.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-1.7	-0.1	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.0	-0.8	-0.2

Chebyshev(coeffs=[[-2.89035,-2.77397,-0.161365,0.0182322],[9.63773,1.3654,-0.247746,-0.0352122],[-0.145589,0.700672,0.0660933,-0.0413751],[-0.415219,0.13033,0.0993781,-0.00642565],[-0.0936302,-0.054719,0.0329853,0.0107884],[-0.0714309,-0.0370366,-0.010987,0.00605122]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.34
S298 (cal/mol*K) = 0.82
G298 (kcal/mol) = 8.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(168); H(25), C7H10(168); C7H9(5)+H(25)(+M)=>C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.890e+00 -2.774e+00 -1.614e-01 1.823e-02 / CHEB/ 9.638e+00 1.365e+00 -2.477e-01 -3.521e-02 / CHEB/ -1.456e-01 7.007e-01 6.609e-02 -4.138e-02 / CHEB/ -4.152e-01 1.303e-01 9.938e-02 -6.426e-03 / CHEB/ -9.363e-02 -5.472e-02 3.299e-02 1.079e-02 / CHEB/ -7.143e-02 -3.704e-02 -1.099e-02 6.051e-03 /

417.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-2.1	-0.6	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-3.4	-1.4	-1.1

Chebyshev(coeffs=[[-2.73307,-2.79183,-0.113773,0.0042732],[8.52039,1.16291,-0.285402,-0.00820605],[0.266584,0.741727,0.0337977,-0.0477069],[-0.490494,0.181754,0.102562,-0.00930918],[-0.302622,-0.0397734,0.042829,0.0106442],[-0.104648,-0.039123,-0.00853819,0.00564539]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.16
S298 (cal/mol*K) = -8.86
G298 (kcal/mol) = 2.80

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(169); H(25), C7H10(169); C7H9(5)+H(25)(+M)=>C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.733e+00 -2.792e+00 -1.138e-01 4.273e-03 / CHEB/ 8.520e+00 1.163e+00 -2.854e-01 -8.206e-03 / CHEB/ 2.666e-01 7.417e-01 3.380e-02 -4.771e-02 / CHEB/ -4.905e-01 1.818e-01 1.026e-01 -9.309e-03 / CHEB/ -3.026e-01 -3.977e-02 4.283e-02 1.064e-02 / CHEB/ -1.046e-01 -3.912e-02 -8.538e-03 5.645e-03 /

418.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-1.4	+0.2	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-2.7	-0.5	-0.1

Chebyshev(coeffs=[[-2.99261,-2.78477,-0.160092,0.0182437],[9.8814,1.34596,-0.250146,-0.0340795],[0.0629778,0.69777,0.064047,-0.0414822],[-0.491699,0.136053,0.0985957,-0.00683421],[-0.290959,-0.0486328,0.0328276,0.0105028],[-0.0945495,-0.0355135,-0.0106258,0.00602452]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.94
S298 (cal/mol*K) = 1.55
G298 (kcal/mol) = 7.48

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(170); H(25), C7H10(170); C7H9(5)+H(25)(+M)=>C7H10(170)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.993e+00 -2.785e+00 -1.601e-01 1.824e-02 / CHEB/ 9.881e+00 1.346e+00 -2.501e-01 -3.408e-02 / CHEB/ 6.298e-02 6.978e-01 6.405e-02 -4.148e-02 / CHEB/ -4.917e-01 1.361e-01 9.860e-02 -6.834e-03 / CHEB/ -2.910e-01 -4.863e-02 3.283e-02 1.050e-02 / CHEB/ -9.455e-02 -3.551e-02 -1.063e-02 6.025e-03 /

419.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.6	+1.4	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-1.4	+1.1	+2.2

Chebyshev(coeffs=[[1.15389,-1.97732,0.0249755,0.00605991],[6.30279,1.10128,-0.1935,-0.0232792],[0.881709,0.57219,-0.0690171,-0.0664832],[-0.110094,0.171007,0.034341,0.00259938],[-0.0766539,-0.0171395,0.0352031,0.0099362],[0.015371,-0.0770747,0.0115915,0.00449017]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.49
S298 (cal/mol*K) = -7.15
G298 (kcal/mol) = -0.36

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(171); H(25), C7H10(171); C7H9(5)+H(25)(+M)=>C7H10(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.154e+00 -1.977e+00 2.498e-02 6.060e-03 / CHEB/ 6.303e+00 1.101e+00 -1.935e-01 -2.328e-02 / CHEB/ 8.817e-01 5.722e-01 -6.902e-02 -6.648e-02 / CHEB/ -1.101e-01 1.710e-01 3.434e-02 2.599e-03 / CHEB/ -7.665e-02 -1.714e-02 3.520e-02 9.936e-03 / CHEB/ 1.537e-02 -7.707e-02 1.159e-02 4.490e-03 /

420.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-7.9	-5.6	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-19.9	-8.9	-6.1	-5.4

Chebyshev(coeffs=[[-11.489,-2.52314,-0.305511,0.0320733],[13.0782,1.60822,-0.0829489,-0.0775413],[-0.156042,0.566637,0.125568,-0.0311394],[-0.419941,0.0196832,0.0817339,0.00595967],[-0.276992,-0.0741978,0.00693954,0.0139315],[-0.051736,-0.0290507,-0.0156455,0.00397897]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.26
S298 (cal/mol*K) = -3.36
G298 (kcal/mol) = 30.27

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(172); H(25), C7H10(172); C7H9(5)+H(25)(+M)=>C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.149e+01 -2.523e+00 -3.055e-01 3.207e-02 / CHEB/ 1.308e+01 1.608e+00 -8.295e-02 -7.754e-02 / CHEB/ -1.560e-01 5.666e-01 1.256e-01 -3.114e-02 / CHEB/ -4.199e-01 1.968e-02 8.173e-02 5.960e-03 / CHEB/ -2.770e-01 -7.420e-02 6.940e-03 1.393e-02 / CHEB/ -5.174e-02 -2.905e-02 -1.565e-02 3.979e-03 /

421.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-6.2	-4.2	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-7.3	-4.7	-4.1

Chebyshev(coeffs=[[-9.3691,-2.62694,-0.26586,0.0309438],[12.3329,1.56111,-0.135103,-0.0673724],[-0.19519,0.609517,0.109567,-0.0347836],[-0.482615,0.0548446,0.0874974,0.00111317],[-0.253163,-0.066657,0.0150807,0.0130275],[-0.0767984,-0.0310956,-0.0144163,0.00513266]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.44
S298 (cal/mol*K) = -1.88
G298 (kcal/mol) = 21.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(173); H(25), C7H10(173); C7H9(5)+H(25)(+M)=>C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.369e+00 -2.627e+00 -2.659e-01 3.094e-02 / CHEB/ 1.233e+01 1.561e+00 -1.351e-01 -6.737e-02 / CHEB/ -1.952e-01 6.095e-01 1.096e-01 -3.478e-02 / CHEB/ -4.826e-01 5.484e-02 8.750e-02 1.113e-03 / CHEB/ -2.532e-01 -6.666e-02 1.508e-02 1.303e-02 / CHEB/ -7.680e-02 -3.110e-02 -1.442e-02 5.133e-03 /

422.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-3.8	-1.6	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-5.0	-2.1	-0.6

Chebyshev(coeffs=[[-3.72942,-2.63631,-0.0533621,0.00709915],[8.56718,1.39911,-0.204289,0.00326349],[0.674391,0.934492,0.0630585,-0.0543684],[-0.173709,0.283903,0.099933,-0.0231517],[-0.0846497,-0.0245417,0.0225035,0.000195247],[0.0403536,-0.0735148,-0.0351582,0.00178407]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.31
S298 (cal/mol*K) = -7.27
G298 (kcal/mol) = 7.48

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(174); H(25), C7H10(174); C7H9(5)+H(25)(+M)=>C7H10(174)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.729e+00 -2.636e+00 -5.336e-02 7.099e-03 / CHEB/ 8.567e+00 1.399e+00 -2.043e-01 3.263e-03 / CHEB/ 6.744e-01 9.345e-01 6.306e-02 -5.437e-02 / CHEB/ -1.737e-01 2.839e-01 9.993e-02 -2.315e-02 / CHEB/ -8.465e-02 -2.454e-02 2.250e-02 1.952e-04 / CHEB/ 4.035e-02 -7.351e-02 -3.516e-02 1.784e-03 /

423.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-6.7	-3.7	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-7.6	-3.9	-2.0

Chebyshev(coeffs=[[-9.54183,-2.48405,-0.24096,0.0348886],[13.1506,1.77244,-0.0532041,-0.0668486],[0.316392,0.719228,0.150862,-0.0343994],[-0.0584706,0.0796795,0.0927013,-0.000679959],[0.0389808,-0.104467,-0.000332124,0.0113896],[0.0960605,-0.102888,-0.0360729,0.00599463]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.61
S298 (cal/mol*K) = -1.65
G298 (kcal/mol) = 27.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(175); H(25), C7H10(175); C7H9(5)+H(25)(+M)=>C7H10(175)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.542e+00 -2.484e+00 -2.410e-01 3.489e-02 / CHEB/ 1.315e+01 1.772e+00 -5.320e-02 -6.685e-02 / CHEB/ 3.164e-01 7.192e-01 1.509e-01 -3.440e-02 / CHEB/ -5.847e-02 7.968e-02 9.270e-02 -6.800e-04 / CHEB/ 3.898e-02 -1.045e-01 -3.321e-04 1.139e-02 / CHEB/ 9.606e-02 -1.029e-01 -3.607e-02 5.995e-03 /

424.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.7	-5.7	-3.8	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-6.8	-4.4	-4.0

Chebyshev(coeffs=[[-8.03346,-2.71886,-0.214547,0.0263217],[11.1253,1.48526,-0.194728,-0.053051],[-0.100389,0.653992,0.0907317,-0.0378972],[-0.493302,0.0916514,0.0936126,-0.00328608],[-0.273218,-0.0588976,0.0231115,0.011829],[-0.0856141,-0.03321,-0.012792,0.00587308]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.44
S298 (cal/mol*K) = -1.88
G298 (kcal/mol) = 21.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(176); H(25), C7H10(176); C7H9(5)+H(25)(+M)=>C7H10(176)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.033e+00 -2.719e+00 -2.145e-01 2.632e-02 / CHEB/ 1.113e+01 1.485e+00 -1.947e-01 -5.305e-02 / CHEB/ -1.004e-01 6.540e-01 9.073e-02 -3.790e-02 / CHEB/ -4.933e-01 9.165e-02 9.361e-02 -3.286e-03 / CHEB/ -2.732e-01 -5.890e-02 2.311e-02 1.183e-02 / CHEB/ -8.561e-02 -3.321e-02 -1.279e-02 5.873e-03 /

425.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-7.6	-5.4	-4.9
log₁₀(k(10 bar)/[mole,m,s])	-19.7	-8.6	-5.9	-5.2

Chebyshev(coeffs=[[-11.3255,-2.54052,-0.303803,0.0326563],[13.2309,1.59284,-0.0871148,-0.0766419],[-0.253298,0.572585,0.121397,-0.0317283],[-0.4719,0.0284494,0.0819807,0.00500557],[-0.23769,-0.0714045,0.00910488,0.0136293],[-0.0705772,-0.0290927,-0.015491,0.00423919]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.26
S298 (cal/mol*K) = -3.36
G298 (kcal/mol) = 30.27

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(177); H(25), C7H10(177); C7H9(5)+H(25)(+M)=>C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.133e+01 -2.541e+00 -3.038e-01 3.266e-02 / CHEB/ 1.323e+01 1.593e+00 -8.711e-02 -7.664e-02 / CHEB/ -2.533e-01 5.726e-01 1.214e-01 -3.173e-02 / CHEB/ -4.719e-01 2.845e-02 8.198e-02 5.006e-03 / CHEB/ -2.377e-01 -7.140e-02 9.105e-03 1.363e-02 / CHEB/ -7.058e-02 -2.909e-02 -1.549e-02 4.239e-03 /

426.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.4	-3.5	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-6.5	-4.1	-3.6

Chebyshev(coeffs=[[-7.93003,-2.70498,-0.223398,0.02729],[11.4203,1.5015,-0.184895,-0.0556806],[-0.0999308,0.646609,0.0943045,-0.037398],[-0.486276,0.0850991,0.0926496,-0.00260291],[-0.268013,-0.0603409,0.0216895,0.0120569],[-0.0834257,-0.0328652,-0.0130893,0.0057843]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.64
S298 (cal/mol*K) = -2.30
G298 (kcal/mol) = 23.33

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(178); H(25), C7H10(178); C7H9(5)+H(25)(+M)=>C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.930e+00 -2.705e+00 -2.234e-01 2.729e-02 / CHEB/ 1.142e+01 1.501e+00 -1.849e-01 -5.568e-02 / CHEB/ -9.993e-02 6.466e-01 9.430e-02 -3.740e-02 / CHEB/ -4.863e-01 8.510e-02 9.265e-02 -2.603e-03 / CHEB/ -2.680e-01 -6.034e-02 2.169e-02 1.206e-02 / CHEB/ -8.343e-02 -3.287e-02 -1.309e-02 5.784e-03 /

427.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-6.6	-3.4	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-18.1	-7.3	-3.6	-1.8

Chebyshev(coeffs=[[-9.41177,-2.37934,-0.188321,0.0538201],[13.2786,1.78621,-0.0609418,-0.0748432],[0.332486,0.615378,0.086372,-0.0599791],[-0.0646023,0.0246757,0.0692398,-0.00547397],[0.0168121,-0.112296,0.00941347,0.0201519],[0.0561198,-0.0976182,-0.0198417,0.0146518]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.61
S298 (cal/mol*K) = -1.65
G298 (kcal/mol) = 27.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(179); H(25), C7H10(179); C7H9(5)+H(25)(+M)=>C7H10(179)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.412e+00 -2.379e+00 -1.883e-01 5.382e-02 / CHEB/ 1.328e+01 1.786e+00 -6.094e-02 -7.484e-02 / CHEB/ 3.325e-01 6.154e-01 8.637e-02 -5.998e-02 / CHEB/ -6.460e-02 2.468e-02 6.924e-02 -5.474e-03 / CHEB/ 1.681e-02 -1.123e-01 9.413e-03 2.015e-02 / CHEB/ 5.612e-02 -9.762e-02 -1.984e-02 1.465e-02 /

428.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-5.4	-3.6	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-6.6	-4.2	-3.8

Chebyshev(coeffs=[[-7.64908,-2.73737,-0.201796,0.0247904],[10.9234,1.45913,-0.208526,-0.0491053],[-0.0493007,0.664488,0.085265,-0.0386236],[-0.488419,0.101338,0.0949366,-0.00421414],[-0.275791,-0.0567314,0.0252173,0.0114944],[-0.0870663,-0.033711,-0.0123466,0.00597085]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.64
S298 (cal/mol*K) = -2.30
G298 (kcal/mol) = 23.33

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(180); H(25), C7H10(180); C7H9(5)+H(25)(+M)=>C7H10(180)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.649e+00 -2.737e+00 -2.018e-01 2.479e-02 / CHEB/ 1.092e+01 1.459e+00 -2.085e-01 -4.911e-02 / CHEB/ -4.930e-02 6.645e-01 8.527e-02 -3.862e-02 / CHEB/ -4.884e-01 1.013e-01 9.494e-02 -4.214e-03 / CHEB/ -2.758e-01 -5.673e-02 2.522e-02 1.149e-02 / CHEB/ -8.707e-02 -3.371e-02 -1.235e-02 5.971e-03 /

429.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-0.6	+1.7	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-1.1	+1.5	+2.3

Chebyshev(coeffs=[[-2.01239,-2.26727,-0.0382352,-0.0135586],[10.5686,1.80886,-0.138017,-0.0282945],[0.361365,0.501303,0.0203707,-0.00173144],[-0.363518,-0.0675533,0.0447182,-0.00500406],[-0.1593,-0.0771718,0.0312293,0.0018357],[-0.0432761,-0.0553929,-0.000476504,0.0101636]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.50
S298 (cal/mol*K) = 4.41
G298 (kcal/mol) = 19.19

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(181); H(25), C7H10(181); C7H9(5)+H(25)(+M)=>C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.012e+00 -2.267e+00 -3.824e-02 -1.356e-02 / CHEB/ 1.057e+01 1.809e+00 -1.380e-01 -2.829e-02 / CHEB/ 3.614e-01 5.013e-01 2.037e-02 -1.731e-03 / CHEB/ -3.635e-01 -6.755e-02 4.472e-02 -5.004e-03 / CHEB/ -1.593e-01 -7.717e-02 3.123e-02 1.836e-03 / CHEB/ -4.328e-02 -5.539e-02 -4.765e-04 1.016e-02 /

430.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-1.1	+1.4	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-2.0	+0.9	+1.7

Chebyshev(coeffs=[[-5.24445,-2.44993,-0.334153,0.0321499],[13.9791,1.61274,-0.0447529,-0.083215],[-0.228094,0.534115,0.132605,-0.0279871],[-0.450174,0.00291368,0.0761705,0.00899364],[-0.253657,-0.0741291,0.00273236,0.0138036],[-0.0759663,-0.0259022,-0.0162861,0.00304364]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.35
S298 (cal/mol*K) = 12.06
G298 (kcal/mol) = 17.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(182); H(25), C7H10(182); C7H9(5)+H(25)(+M)=>C7H10(182)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.244e+00 -2.450e+00 -3.342e-01 3.215e-02 / CHEB/ 1.398e+01 1.613e+00 -4.475e-02 -8.321e-02 / CHEB/ -2.281e-01 5.341e-01 1.326e-01 -2.799e-02 / CHEB/ -4.502e-01 2.914e-03 7.617e-02 8.994e-03 / CHEB/ -2.537e-01 -7.413e-02 2.732e-03 1.380e-02 / CHEB/ -7.597e-02 -2.590e-02 -1.629e-02 3.044e-03 /

431.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-1.1	+1.4	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-2.0	+0.9	+1.7

H298 (kcal/mol) = 21.35
S298 (cal/mol*K) = 10.69
G298 (kcal/mol) = 18.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(183); H(25), C7H10(183); C7H9(5)+H(25)(+M)=>C7H10(183)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.244e+00 -2.450e+00 -3.342e-01 3.215e-02 / CHEB/ 1.398e+01 1.613e+00 -4.475e-02 -8.321e-02 / CHEB/ -2.281e-01 5.341e-01 1.326e-01 -2.799e-02 / CHEB/ -4.502e-01 2.914e-03 7.617e-02 8.994e-03 / CHEB/ -2.537e-01 -7.413e-02 2.732e-03 1.380e-02 / CHEB/ -7.597e-02 -2.590e-02 -1.629e-02 3.044e-03 /

432.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	+0.2	+3.5	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-0.3	+3.3	+5.1

Chebyshev(coeffs=[[-1.77789,-1.48613,-0.0968771,0.0110012],[12.1084,1.031,-0.148905,-0.0660115],[0.698556,0.370414,0.0625694,-0.0240388],[0.0445641,-0.0022345,0.0554759,0.0039673],[-0.0152382,-0.0742748,0.021079,0.0144729],[-0.0098977,-0.0460803,-0.00383388,0.00916863]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.47
S298 (cal/mol*K) = 11.68
G298 (kcal/mol) = 18.99

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(184); H(25), C7H10(184); C7H9(5)+H(25)(+M)=>C7H10(184)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.778e+00 -1.486e+00 -9.688e-02 1.100e-02 / CHEB/ 1.211e+01 1.031e+00 -1.489e-01 -6.601e-02 / CHEB/ 6.986e-01 3.704e-01 6.257e-02 -2.404e-02 / CHEB/ 4.456e-02 -2.235e-03 5.548e-02 3.967e-03 / CHEB/ -1.524e-02 -7.427e-02 2.108e-02 1.447e-02 / CHEB/ -9.898e-03 -4.608e-02 -3.834e-03 9.169e-03 /

433.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-5.5	-3.4	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-6.5	-3.9	-3.3

Chebyshev(coeffs=[[-8.82474,-2.59385,-0.281278,0.0318429],[12.6293,1.57623,-0.115996,-0.0712845],[-0.234286,0.595079,0.114509,-0.0336473],[-0.482798,0.0441158,0.0853882,0.00262938],[-0.248367,-0.0687011,0.0126889,0.013308],[-0.0747411,-0.0303473,-0.014868,0.00480683]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.74
S298 (cal/mol*K) = -7.13
G298 (kcal/mol) = 29.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(185); H(25), C7H10(185); C7H9(5)+H(25)(+M)=>C7H10(185)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.825e+00 -2.594e+00 -2.813e-01 3.184e-02 / CHEB/ 1.263e+01 1.576e+00 -1.160e-01 -7.128e-02 / CHEB/ -2.343e-01 5.951e-01 1.145e-01 -3.365e-02 / CHEB/ -4.828e-01 4.412e-02 8.539e-02 2.629e-03 / CHEB/ -2.484e-01 -6.870e-02 1.269e-02 1.331e-02 / CHEB/ -7.474e-02 -3.035e-02 -1.487e-02 4.807e-03 /

434.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.5	-0.6	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-3.0	-1.5	-1.6

Chebyshev(coeffs=[[-0.544415,-2.80006,-0.0831686,-0.0246425],[5.97196,0.828563,-0.282393,0.0420289],[0.308423,0.736814,-0.0313308,-0.0582272],[-0.530639,0.251638,0.0981865,-0.0159157],[-0.333705,-0.00826887,0.0590743,0.011921],[-0.119927,-0.0420243,-0.000665103,0.00728795]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.62
S298 (cal/mol*K) = -16.34
G298 (kcal/mol) = 9.49

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(186); H(25), C7H10(186); C7H9(5)+H(25)(+M)=>C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.444e-01 -2.800e+00 -8.317e-02 -2.464e-02 / CHEB/ 5.972e+00 8.286e-01 -2.824e-01 4.203e-02 / CHEB/ 3.084e-01 7.368e-01 -3.133e-02 -5.823e-02 / CHEB/ -5.306e-01 2.516e-01 9.819e-02 -1.592e-02 / CHEB/ -3.337e-01 -8.269e-03 5.907e-02 1.192e-02 / CHEB/ -1.199e-01 -4.202e-02 -6.651e-04 7.288e-03 /

435.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-2.0	+0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-2.5	+0.3	+1.4

Chebyshev(coeffs=[[-4.82005,-1.13353,-0.307648,-0.0619847],[12.6708,0.697874,0.0706246,-0.0027902],[-0.217771,0.166189,0.0263137,-0.0207722],[-0.169603,0.00167948,0.0239849,-0.00484043],[-0.0882014,-0.008254,0.0179532,0.00908266],[-0.0372227,-0.00507716,0.00449485,0.00774671]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.38
S298 (cal/mol*K) = 24.05
G298 (kcal/mol) = 35.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(156); H(25), C3H5(129); C7H9(5)+H(25)(+M)=>C4H5(156)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.820e+00 -1.134e+00 -3.076e-01 -6.198e-02 / CHEB/ 1.267e+01 6.979e-01 7.062e-02 -2.790e-03 / CHEB/ -2.178e-01 1.662e-01 2.631e-02 -2.077e-02 / CHEB/ -1.696e-01 1.679e-03 2.398e-02 -4.840e-03 / CHEB/ -8.820e-02 -8.254e-03 1.795e-02 9.083e-03 / CHEB/ -3.722e-02 -5.077e-03 4.495e-03 7.747e-03 /

436.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.2	-5.7	-2.1	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-6.0	-2.3	-0.7

Chebyshev(coeffs=[[-10.6144,-0.975696,-0.318981,-0.0506595],[16.1753,0.614296,0.103553,-0.021449],[-0.054904,0.140058,0.0363948,-0.0149997],[-0.111575,-0.0107689,0.0194607,0.00410453],[-0.0692019,-0.0106414,0.00966428,0.00977922],[-0.0359129,-0.0039757,0.000731024,0.00527154]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.20
S298 (cal/mol*K) = 14.41
G298 (kcal/mol) = 47.91

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(187); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.061e+01 -9.757e-01 -3.190e-01 -5.066e-02 / CHEB/ 1.618e+01 6.143e-01 1.036e-01 -2.145e-02 / CHEB/ -5.490e-02 1.401e-01 3.639e-02 -1.500e-02 / CHEB/ -1.116e-01 -1.077e-02 1.946e-02 4.105e-03 / CHEB/ -6.920e-02 -1.064e-02 9.664e-03 9.779e-03 / CHEB/ -3.591e-02 -3.976e-03 7.310e-04 5.272e-03 /

437.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-3.3	-0.5	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-3.8	-0.7	+0.6

Chebyshev(coeffs=[[-5.96579,-1.21168,-0.305905,-0.0739409],[12.6652,0.732442,0.0617882,0.0134295],[0.0920851,0.179591,0.0186669,-0.0214782],[-0.0887307,0.0097136,0.0230384,-0.0105479],[-0.0625931,-0.00552039,0.0220745,0.00732093],[-0.0254691,-0.00498237,0.00750523,0.00860886]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.10
S298 (cal/mol*K) = 6.85
G298 (kcal/mol) = 37.06

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(188); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(188)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.966e+00 -1.212e+00 -3.059e-01 -7.394e-02 / CHEB/ 1.267e+01 7.324e-01 6.179e-02 1.343e-02 / CHEB/ 9.209e-02 1.796e-01 1.867e-02 -2.148e-02 / CHEB/ -8.873e-02 9.714e-03 2.304e-02 -1.055e-02 / CHEB/ -6.259e-02 -5.520e-03 2.207e-02 7.321e-03 / CHEB/ -2.547e-02 -4.982e-03 7.505e-03 8.609e-03 /

438.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.6	-7.1	-2.8	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-21.2	-7.3	-3.0	-1.1

Chebyshev(coeffs=[[-13.8028,-0.821897,-0.322664,-0.0553126],[18.9959,0.522651,0.134728,-0.0192902],[-0.0692358,0.115101,0.0392491,-0.00752702],[-0.114329,-0.0192531,0.0111029,0.0085674],[-0.0736526,-0.0100405,0.00344961,0.00794552],[-0.0429626,-0.00187628,-0.000536392,0.00273921]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.70
S298 (cal/mol*K) = 15.05
G298 (kcal/mol) = 57.21

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(189); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(189)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.380e+01 -8.219e-01 -3.227e-01 -5.531e-02 / CHEB/ 1.900e+01 5.227e-01 1.347e-01 -1.929e-02 / CHEB/ -6.924e-02 1.151e-01 3.925e-02 -7.527e-03 / CHEB/ -1.143e-01 -1.925e-02 1.110e-02 8.567e-03 / CHEB/ -7.365e-02 -1.004e-02 3.450e-03 7.946e-03 / CHEB/ -4.296e-02 -1.876e-03 -5.364e-04 2.739e-03 /

439.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-5.5	-2.1	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-5.9	-2.3	-0.7

Chebyshev(coeffs=[[-9.66484,-1.04786,-0.312134,-0.0538235],[15.0832,0.663128,0.0881305,-0.0150403],[0.0490122,0.151708,0.0338869,-0.0180004],[-0.074171,-0.006936,0.0226269,0.000788531],[-0.0673486,-0.0108351,0.0129433,0.0101379],[-0.00291751,-0.00559296,0.00167501,0.00644009]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.90
S298 (cal/mol*K) = 6.73
G298 (kcal/mol) = 44.89

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(190); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(190)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.665e+00 -1.048e+00 -3.121e-01 -5.382e-02 / CHEB/ 1.508e+01 6.631e-01 8.813e-02 -1.504e-02 / CHEB/ 4.901e-02 1.517e-01 3.389e-02 -1.800e-02 / CHEB/ -7.417e-02 -6.936e-03 2.263e-02 7.885e-04 / CHEB/ -6.735e-02 -1.084e-02 1.294e-02 1.014e-02 / CHEB/ -2.918e-03 -5.593e-03 1.675e-03 6.440e-03 /

440.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-9.3	-4.6	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-24.8	-9.5	-4.7	-2.6

Chebyshev(coeffs=[[-17.3111,-0.727134,-0.315241,-0.0626813],[21.0158,0.463476,0.145928,-0.0107542],[-0.0638496,0.0994957,0.0381468,-0.00295393],[-0.11618,-0.0227694,0.00571334,0.00930011],[-0.0779413,-0.00849837,0.00103155,0.00601037],[-0.0479043,-0.000368626,-0.000529312,0.00139637]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.20
S298 (cal/mol*K) = 12.35
G298 (kcal/mol) = 64.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(191); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(191)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.731e+01 -7.271e-01 -3.152e-01 -6.268e-02 / CHEB/ 2.102e+01 4.635e-01 1.459e-01 -1.075e-02 / CHEB/ -6.385e-02 9.950e-02 3.815e-02 -2.954e-03 / CHEB/ -1.162e-01 -2.277e-02 5.713e-03 9.300e-03 / CHEB/ -7.794e-02 -8.498e-03 1.032e-03 6.010e-03 / CHEB/ -4.790e-02 -3.686e-04 -5.293e-04 1.396e-03 /

441.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-9.3	-4.6	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-24.8	-9.5	-4.7	-2.6

H298 (kcal/mol) = 68.20
S298 (cal/mol*K) = 12.35
G298 (kcal/mol) = 64.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(192); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.731e+01 -7.271e-01 -3.152e-01 -6.268e-02 / CHEB/ 2.102e+01 4.635e-01 1.459e-01 -1.075e-02 / CHEB/ -6.385e-02 9.950e-02 3.815e-02 -2.954e-03 / CHEB/ -1.162e-01 -2.277e-02 5.713e-03 9.300e-03 / CHEB/ -7.794e-02 -8.498e-03 1.032e-03 6.010e-03 / CHEB/ -4.790e-02 -3.686e-04 -5.293e-04 1.396e-03 /

442.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-5.1	-1.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-5.4	-1.4	+0.4

Chebyshev(coeffs=[[-11.2945,-0.840614,-0.321573,-0.0533666],[18.0858,0.539748,0.13303,-0.0198214],[-0.171635,0.120936,0.0414096,-0.00754208],[-0.138805,-0.0166573,0.013371,0.0088423],[-0.0781562,-0.00935218,0.00475611,0.00867921],[-0.0428055,-0.00180252,-0.000216251,0.00321363]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.70
S298 (cal/mol*K) = 23.78
G298 (kcal/mol) = 50.61

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(193); H(25), CH2(137); C7H9(5)+H(25)(+M)=>C6H8(193)+CH2(137)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.129e+01 -8.406e-01 -3.216e-01 -5.337e-02 / CHEB/ 1.809e+01 5.397e-01 1.330e-01 -1.982e-02 / CHEB/ -1.716e-01 1.209e-01 4.141e-02 -7.542e-03 / CHEB/ -1.388e-01 -1.666e-02 1.337e-02 8.842e-03 / CHEB/ -7.816e-02 -9.352e-03 4.756e-03 8.679e-03 / CHEB/ -4.281e-02 -1.803e-03 -2.163e-04 3.214e-03 /

443.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+0.1	+1.8	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-0.5	+1.4	+2.2

Chebyshev(coeffs=[[0.779028,-1.51318,-0.359396,-0.0759342],[7.43687,0.837416,0.104857,0.00592461],[0.203738,0.211342,-0.00399003,0.00348567],[-0.134913,0.0419192,-0.00483964,-0.0159242],[-0.0925345,0.0201618,0.0246194,-0.00735207],[-0.0263276,0.00501417,0.020624,0.0033098]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.62
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = 15.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(194); H(25), C7H10(194); C7H9(5)+H(25)(+M)=>C7H10(194)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.790e-01 -1.513e+00 -3.594e-01 -7.593e-02 / CHEB/ 7.437e+00 8.374e-01 1.049e-01 5.925e-03 / CHEB/ 2.037e-01 2.113e-01 -3.990e-03 3.486e-03 / CHEB/ -1.349e-01 4.192e-02 -4.840e-03 -1.592e-02 / CHEB/ -9.253e-02 2.016e-02 2.462e-02 -7.352e-03 / CHEB/ -2.633e-02 5.014e-03 2.062e-02 3.310e-03 /

444.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+0.2	+1.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-0.5	+1.5	+2.3

Chebyshev(coeffs=[[0.780864,-1.51058,-0.359014,-0.076368],[7.58575,0.83595,0.10463,0.00653798],[0.226983,0.211525,-0.00405509,0.00329463],[-0.126907,0.0418154,-0.00461286,-0.0160494],[-0.0898769,0.0198973,0.0247209,-0.00728554],[-0.025407,0.00485938,0.0205714,0.00340131]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.02
S298 (cal/mol*K) = -5.78
G298 (kcal/mol) = 15.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(195); H(25), C7H10(195); C7H9(5)+H(25)(+M)=>C7H10(195)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.809e-01 -1.511e+00 -3.590e-01 -7.637e-02 / CHEB/ 7.586e+00 8.360e-01 1.046e-01 6.538e-03 / CHEB/ 2.270e-01 2.115e-01 -4.055e-03 3.295e-03 / CHEB/ -1.269e-01 4.182e-02 -4.613e-03 -1.605e-02 / CHEB/ -8.988e-02 1.990e-02 2.472e-02 -7.286e-03 / CHEB/ -2.541e-02 4.859e-03 2.057e-02 3.401e-03 /

445.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-1.0	+1.3	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-1.6	+1.0	+2.1

Chebyshev(coeffs=[[-2.04571,-1.358,-0.324187,-0.0919835],[10.1381,0.779897,0.0743903,0.0330897],[0.162998,0.203804,0.00200755,-0.0130313],[-0.0992055,0.0282819,0.0124897,-0.0192562],[-0.0713564,0.0039604,0.0272852,0.00040631],[-0.0233933,-0.0025125,0.0147871,0.0081475]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.62
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = 15.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(196); H(25), C7H10(196); C7H9(5)+H(25)(+M)=>C7H10(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.046e+00 -1.358e+00 -3.242e-01 -9.198e-02 / CHEB/ 1.014e+01 7.799e-01 7.439e-02 3.309e-02 / CHEB/ 1.630e-01 2.038e-01 2.008e-03 -1.303e-02 / CHEB/ -9.921e-02 2.828e-02 1.249e-02 -1.926e-02 / CHEB/ -7.136e-02 3.960e-03 2.729e-02 4.063e-04 / CHEB/ -2.339e-02 -2.512e-03 1.479e-02 8.147e-03 /

446.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-0.1	+1.8	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-0.7	+1.5	+2.4

Chebyshev(coeffs=[[1.10922,-0.883769,-0.0440029,0.00968192],[7.01567,0.215795,-0.177255,-0.0384181],[0.421688,0.256383,-0.011088,-0.0244552],[-0.0409769,0.11457,0.0314478,-0.00885028],[-0.0642839,0.0192819,0.0309114,-0.000797452],[-0.0226308,-0.0139866,0.0126214,0.00215293]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.02
S298 (cal/mol*K) = -5.78
G298 (kcal/mol) = 15.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(197); H(25), C7H10(197); C7H9(5)+H(25)(+M)=>C7H10(197)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.109e+00 -8.838e-01 -4.400e-02 9.682e-03 / CHEB/ 7.016e+00 2.158e-01 -1.773e-01 -3.842e-02 / CHEB/ 4.217e-01 2.564e-01 -1.109e-02 -2.446e-02 / CHEB/ -4.098e-02 1.146e-01 3.145e-02 -8.850e-03 / CHEB/ -6.428e-02 1.928e-02 3.091e-02 -7.975e-04 / CHEB/ -2.263e-02 -1.399e-02 1.262e-02 2.153e-03 /

447.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-1.0	+1.3	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-1.6	+1.0	+2.1

H298 (kcal/mol) = 13.62
S298 (cal/mol*K) = -5.05
G298 (kcal/mol) = 15.13

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(198); H(25), C7H10(198); C7H9(5)+H(25)(+M)=>C7H10(198)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.046e+00 -1.358e+00 -3.242e-01 -9.198e-02 / CHEB/ 1.014e+01 7.799e-01 7.439e-02 3.309e-02 / CHEB/ 1.630e-01 2.038e-01 2.008e-03 -1.303e-02 / CHEB/ -9.921e-02 2.828e-02 1.249e-02 -1.926e-02 / CHEB/ -7.136e-02 3.960e-03 2.729e-02 4.063e-04 / CHEB/ -2.339e-02 -2.512e-03 1.479e-02 8.147e-03 /

448.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-1.0	+0.5	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.7	+0.1	+0.8

Chebyshev(coeffs=[[0.232125,-1.58014,-0.365892,-0.0664511],[6.6121,0.873189,0.105596,-0.00644432],[0.248063,0.208421,-0.000409959,0.00598682],[-0.141804,0.0429012,-0.00997566,-0.0123125],[-0.0986356,0.0272245,0.0212936,-0.00830351],[-0.0272957,0.00936766,0.0215548,0.000982185]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.62
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = 15.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(199); H(25), C7H10(199); C7H9(5)+H(25)(+M)=>C7H10(199)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.321e-01 -1.580e+00 -3.659e-01 -6.645e-02 / CHEB/ 6.612e+00 8.732e-01 1.056e-01 -6.444e-03 / CHEB/ 2.481e-01 2.084e-01 -4.100e-04 5.987e-03 / CHEB/ -1.418e-01 4.290e-02 -9.976e-03 -1.231e-02 / CHEB/ -9.864e-02 2.722e-02 2.129e-02 -8.304e-03 / CHEB/ -2.730e-02 9.368e-03 2.155e-02 9.822e-04 /

449.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-2.3	-0.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-2.9	-0.7	+0.3

Chebyshev(coeffs=[[-2.61571,-1.41758,-0.339071,-0.0896725],[8.9713,0.797769,0.0884097,0.0270729],[0.165478,0.209888,-0.00277053,-0.00597175],[-0.115816,0.0352895,0.00553161,-0.0196005],[-0.080345,0.00977818,0.0273328,-0.00318628],[-0.024569,-0.000185263,0.0175884,0.00668453]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.12
S298 (cal/mol*K) = -5.78
G298 (kcal/mol) = 24.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(200); H(25), C7H10(200); C7H9(5)+H(25)(+M)=>C7H10(200)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.616e+00 -1.418e+00 -3.391e-01 -8.967e-02 / CHEB/ 8.971e+00 7.978e-01 8.841e-02 2.707e-02 / CHEB/ 1.655e-01 2.099e-01 -2.771e-03 -5.972e-03 / CHEB/ -1.158e-01 3.529e-02 5.532e-03 -1.960e-02 / CHEB/ -8.035e-02 9.778e-03 2.733e-02 -3.186e-03 / CHEB/ -2.457e-02 -1.853e-04 1.759e-02 6.685e-03 /

450.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-2.5	-0.5	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-3.1	-0.9	+0.0

Chebyshev(coeffs=[[-2.7864,-1.41758,-0.339071,-0.0896725],[8.90455,0.797769,0.0884097,0.0270729],[0.150738,0.209888,-0.00277053,-0.00597175],[-0.120155,0.0352895,0.00553161,-0.0196005],[-0.0817819,0.00977818,0.0273328,-0.00318628],[-0.0250752,-0.000185263,0.0175884,0.00668453]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.12
S298 (cal/mol*K) = -5.78
G298 (kcal/mol) = 24.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(201); H(25), C7H10(201); C7H9(5)+H(25)(+M)=>C7H10(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.786e+00 -1.418e+00 -3.391e-01 -8.967e-02 / CHEB/ 8.905e+00 7.978e-01 8.841e-02 2.707e-02 / CHEB/ 1.507e-01 2.099e-01 -2.771e-03 -5.972e-03 / CHEB/ -1.202e-01 3.529e-02 5.532e-03 -1.960e-02 / CHEB/ -8.178e-02 9.778e-03 2.733e-02 -3.186e-03 / CHEB/ -2.508e-02 -1.853e-04 1.759e-02 6.685e-03 /

451.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	+0.5	+2.2	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-0.2	+1.8	+2.6

Chebyshev(coeffs=[[1.26816,-1.55044,-0.36387,-0.0703006],[7.30288,0.856727,0.106423,-0.00165273],[0.303679,0.209923,-0.00234149,0.0053223],[-0.116812,0.0428042,-0.00795676,-0.0138934],[-0.0887185,0.0241523,0.0228701,-0.00808413],[-0.0242682,0.00737912,0.0212619,0.00196764]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.62
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = 16.77

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(202); H(25), C7H10(202); C7H9(5)+H(25)(+M)=>C7H10(202)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.268e+00 -1.550e+00 -3.639e-01 -7.030e-02 / CHEB/ 7.303e+00 8.567e-01 1.064e-01 -1.653e-03 / CHEB/ 3.037e-01 2.099e-01 -2.341e-03 5.322e-03 / CHEB/ -1.168e-01 4.280e-02 -7.957e-03 -1.389e-02 / CHEB/ -8.872e-02 2.415e-02 2.287e-02 -8.084e-03 / CHEB/ -2.427e-02 7.379e-03 2.126e-02 1.968e-03 /

452.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-0.9	+1.4	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-1.4	+1.1	+2.1

Chebyshev(coeffs=[[-1.69944,-1.37385,-0.32798,-0.0920635],[9.86314,0.784447,0.077988,0.0324032],[0.172777,0.205724,0.00047326,-0.0112397],[-0.100983,0.0303015,0.0107134,-0.0195963],[-0.0728059,0.00542979,0.0274501,-0.000560848],[-0.0232816,-0.00199518,0.0155717,0.00783645]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.18
S298 (cal/mol*K) = -2.19
G298 (kcal/mol) = 26.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(203); H(25), C7H10(203); C7H9(5)+H(25)(+M)=>C7H10(203)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.699e+00 -1.374e+00 -3.280e-01 -9.206e-02 / CHEB/ 9.863e+00 7.844e-01 7.799e-02 3.240e-02 / CHEB/ 1.728e-01 2.057e-01 4.733e-04 -1.124e-02 / CHEB/ -1.010e-01 3.030e-02 1.071e-02 -1.960e-02 / CHEB/ -7.281e-02 5.430e-03 2.745e-02 -5.608e-04 / CHEB/ -2.328e-02 -1.995e-03 1.557e-02 7.836e-03 /

453.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-0.8	+2.7	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-1.2	+2.5	+4.0

Chebyshev(coeffs=[[-5.03829,-1.05954,-0.312002,-0.0545666],[15.1434,0.665359,0.0849322,-0.0139125],[0.129264,0.152136,0.0326121,-0.0185403],[-0.0711647,-0.00561306,0.0227834,4.85348e-05],[-0.0909597,-0.00951061,0.0137066,0.00996764],[-0.0405799,-0.00461387,0.00225352,0.00659116]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.03
S298 (cal/mol*K) = 5.46
G298 (kcal/mol) = 25.40

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(204); H(25), C7H10(204); C7H9(5)+H(25)(+M)=>C7H10(204)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.038e+00 -1.060e+00 -3.120e-01 -5.457e-02 / CHEB/ 1.514e+01 6.654e-01 8.493e-02 -1.391e-02 / CHEB/ 1.293e-01 1.521e-01 3.261e-02 -1.854e-02 / CHEB/ -7.116e-02 -5.613e-03 2.278e-02 4.853e-05 / CHEB/ -9.096e-02 -9.511e-03 1.371e-02 9.968e-03 / CHEB/ -4.058e-02 -4.614e-03 2.254e-03 6.591e-03 /

454.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-0.8	+2.7	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-1.2	+2.5	+4.0

H298 (kcal/mol) = 27.03
S298 (cal/mol*K) = 4.08
G298 (kcal/mol) = 25.81

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(205); H(25), C7H10(205); C7H9(5)+H(25)(+M)=>C7H10(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.038e+00 -1.060e+00 -3.120e-01 -5.457e-02 / CHEB/ 1.514e+01 6.654e-01 8.493e-02 -1.391e-02 / CHEB/ 1.293e-01 1.521e-01 3.261e-02 -1.854e-02 / CHEB/ -7.116e-02 -5.613e-03 2.278e-02 4.853e-05 / CHEB/ -9.096e-02 -9.511e-03 1.371e-02 9.968e-03 / CHEB/ -4.058e-02 -4.614e-03 2.254e-03 6.591e-03 /

456.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-3.7	-1.3	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-3.0	-0.4	+0.6

Chebyshev(coeffs=[[-11.5884,1.47663,-0.0920034,0.0224872],[11.613,0.246357,-0.0618209,-0.0539739],[-0.236663,0.114233,0.0389052,-0.0149695],[-0.0885897,0.0160078,0.0290923,0.00828947],[-0.073432,-0.000352717,0.0103876,0.0112608],[-0.0396965,0.00278071,0.000279603,0.00266747]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.87
S298 (cal/mol*K) = -10.34
G298 (kcal/mol) = 41.95

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H9(24); C7H10(18), H(25); C7H10(18)(+M)=>C7H9(24)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.159e+01 1.477e+00 -9.200e-02 2.249e-02 / CHEB/ 1.161e+01 2.464e-01 -6.182e-02 -5.397e-02 / CHEB/ -2.367e-01 1.142e-01 3.891e-02 -1.497e-02 / CHEB/ -8.859e-02 1.601e-02 2.909e-02 8.289e-03 / CHEB/ -7.343e-02 -3.527e-04 1.039e-02 1.126e-02 / CHEB/ -3.970e-02 2.781e-03 2.796e-04 2.667e-03 /

457.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+3.2	+4.5	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-0.3	+3.9	+5.2	+5.8

Chebyshev(coeffs=[[-0.933321,1.50447,-0.0444857,-0.0685746],[6.08125,0.0418627,-0.0445631,0.0781015],[-0.232113,0.153276,-0.0418664,0.000353411],[-0.0549494,0.0627926,-0.0102618,-0.0349284],[-0.0503576,0.0159017,0.0249775,-0.0118918],[-0.0277859,-0.000676004,0.0183449,0.0063438]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.38
S298 (cal/mol*K) = 0.57
G298 (kcal/mol) = 18.21

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H9(5); C7H10(18), H(25); C7H10(18)(+M)=>C7H9(5)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.333e-01 1.504e+00 -4.449e-02 -6.857e-02 / CHEB/ 6.081e+00 4.186e-02 -4.456e-02 7.810e-02 / CHEB/ -2.321e-01 1.533e-01 -4.187e-02 3.534e-04 / CHEB/ -5.495e-02 6.279e-02 -1.026e-02 -3.493e-02 / CHEB/ -5.036e-02 1.590e-02 2.498e-02 -1.189e-02 / CHEB/ -2.779e-02 -6.760e-04 1.834e-02 6.344e-03 /

458.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.1	-6.5	-3.3	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-5.7	-2.4	-1.0

Chebyshev(coeffs=[[-16.5666,1.54725,-0.15899,-0.00167068],[14.9783,0.245033,0.0294043,-0.0475343],[-0.201138,0.0887796,0.0454938,0.00590117],[-0.0829834,0.00377418,0.0157725,0.0128227],[-0.0735204,-7.19597e-05,0.00422264,0.00616382],[-0.0433517,0.005758,0.00109912,-0.000229049]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.42
S298 (cal/mol*K) = -12.05
G298 (kcal/mol) = 53.01

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(26); C7H10(18)(+M)=>H(25)+C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.657e+01 1.547e+00 -1.590e-01 -1.671e-03 / CHEB/ 1.498e+01 2.450e-01 2.940e-02 -4.753e-02 / CHEB/ -2.011e-01 8.878e-02 4.549e-02 5.901e-03 / CHEB/ -8.298e-02 3.774e-03 1.577e-02 1.282e-02 / CHEB/ -7.352e-02 -7.196e-05 4.223e-03 6.164e-03 / CHEB/ -4.335e-02 5.758e-03 1.099e-03 -2.290e-04 /

459.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-3.6	-0.9	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-2.8	-0.0	+1.2

Chebyshev(coeffs=[[-11.9758,1.48642,-0.107144,0.0210429],[12.4861,0.250011,-0.0437778,-0.0572253],[-0.16252,0.10957,0.0419596,-0.0107794],[-0.0685047,0.0131798,0.0267128,0.010185],[-0.0678375,-0.000542233,0.00875406,0.0105523],[-0.0378115,0.00338332,0.000305361,0.00190242]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.22
S298 (cal/mol*K) = -13.15
G298 (kcal/mol) = 44.14

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(27); C7H10(18)(+M)=>H(25)+C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.198e+01 1.486e+00 -1.071e-01 2.104e-02 / CHEB/ 1.249e+01 2.500e-01 -4.378e-02 -5.723e-02 / CHEB/ -1.625e-01 1.096e-01 4.196e-02 -1.078e-02 / CHEB/ -6.850e-02 1.318e-02 2.671e-02 1.018e-02 / CHEB/ -6.784e-02 -5.422e-04 8.754e-03 1.055e-02 / CHEB/ -3.781e-02 3.383e-03 3.054e-04 1.902e-03 /

460.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+4.1	+4.6	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+4.8	+5.3	+5.9

Chebyshev(coeffs=[[2.951,0.834911,-0.190503,-0.0347516],[1.84613,0.834924,0.0959378,0.00205485],[-0.0193686,0.0251664,0.00380344,0.00655133],[0.0067832,-0.045452,-0.0608839,-0.00486854],[0.050173,0.0392488,-0.0343649,-0.0135955],[0.0690106,0.0380514,0.00258939,-0.0137628]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.36
S298 (cal/mol*K) = -18.51
G298 (kcal/mol) = 1.16

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(28); C7H10(18)(+M)=>C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.951e+00 8.349e-01 -1.905e-01 -3.475e-02 / CHEB/ 1.846e+00 8.349e-01 9.594e-02 2.055e-03 / CHEB/ -1.937e-02 2.517e-02 3.803e-03 6.551e-03 / CHEB/ 6.783e-03 -4.545e-02 -6.088e-02 -4.869e-03 / CHEB/ 5.017e-02 3.925e-02 -3.436e-02 -1.360e-02 / CHEB/ 6.901e-02 3.805e-02 2.589e-03 -1.376e-02 /

461.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+2.9	+4.4	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+3.5	+5.1	+5.8

Chebyshev(coeffs=[[-2.33399,1.47681,0.00243266,-0.0300693],[7.57061,0.120999,-0.129298,0.0396374],[-0.293845,0.146856,-0.0222668,-0.0240554],[-0.0685437,0.0504619,0.0237794,-0.0228866],[-0.055207,0.00844888,0.0280138,0.00162086],[-0.0344165,-0.00189417,0.00832616,0.00839475]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.04
S298 (cal/mol*K) = -12.89
G298 (kcal/mol) = 22.88

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(29); C7H10(18)(+M)=>C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.334e+00 1.477e+00 2.433e-03 -3.007e-02 / CHEB/ 7.571e+00 1.210e-01 -1.293e-01 3.964e-02 / CHEB/ -2.938e-01 1.469e-01 -2.227e-02 -2.406e-02 / CHEB/ -6.854e-02 5.046e-02 2.378e-02 -2.289e-02 / CHEB/ -5.521e-02 8.449e-03 2.801e-02 1.621e-03 / CHEB/ -3.442e-02 -1.894e-03 8.326e-03 8.395e-03 /

462.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	+0.1	+2.3	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-7.0	+0.8	+3.1	+4.1

Chebyshev(coeffs=[[-7.19358,1.45848,-0.0620336,0.0226789],[10.6967,0.229563,-0.0901651,-0.0423459],[-0.277274,0.123898,0.0232468,-0.0224852],[-0.0596883,0.0250198,0.0314828,0.00170859],[-0.0539223,0.00131358,0.0168231,0.0110729],[-0.0394915,0.00105292,0.00111344,0.00489237]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.04
S298 (cal/mol*K) = -12.89
G298 (kcal/mol) = 22.88

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(30); C7H10(18)(+M)=>C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.194e+00 1.458e+00 -6.203e-02 2.268e-02 / CHEB/ 1.070e+01 2.296e-01 -9.017e-02 -4.235e-02 / CHEB/ -2.773e-01 1.239e-01 2.325e-02 -2.249e-02 / CHEB/ -5.969e-02 2.502e-02 3.148e-02 1.709e-03 / CHEB/ -5.392e-02 1.314e-03 1.682e-02 1.107e-02 / CHEB/ -3.949e-02 1.053e-03 1.113e-03 4.892e-03 /

463.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+3.3	+3.9	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+4.0	+4.6	+5.0

Chebyshev(coeffs=[[0.940407,1.29848,-0.208367,-0.0549359],[3.35987,0.286093,0.169049,0.043216],[-0.20679,0.0950987,-0.048422,0.0144239],[-0.0817035,0.0281378,-0.0640824,-0.015152],[-0.0476604,0.040903,0.00229788,-0.0231702],[-0.00395853,0.0156158,0.0233041,-0.00984519]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.49
S298 (cal/mol*K) = -11.18
G298 (kcal/mol) = 11.82

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(31); C7H10(18)(+M)=>C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.404e-01 1.298e+00 -2.084e-01 -5.494e-02 / CHEB/ 3.360e+00 2.861e-01 1.690e-01 4.322e-02 / CHEB/ -2.068e-01 9.510e-02 -4.842e-02 1.442e-02 / CHEB/ -8.170e-02 2.814e-02 -6.408e-02 -1.515e-02 / CHEB/ -4.766e-02 4.090e-02 2.298e-03 -2.317e-02 / CHEB/ -3.959e-03 1.562e-02 2.330e-02 -9.845e-03 /

464.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+1.5	+2.1	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+2.2	+2.8	+3.1

Chebyshev(coeffs=[[-0.706892,1.13831,-0.223828,-0.0320936],[3.14639,0.468432,0.188813,0.0192902],[-0.127527,0.0683405,-0.0304691,0.0221533],[-0.0892612,-0.010128,-0.0628442,-0.00268057],[-0.0713928,0.042902,-0.0110458,-0.0180658],[-0.024632,0.0249806,0.0174941,-0.0121005]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.19
S298 (cal/mol*K) = -21.60
G298 (kcal/mol) = 12.63

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(32); C7H10(18)(+M)=>C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.069e-01 1.138e+00 -2.238e-01 -3.209e-02 / CHEB/ 3.146e+00 4.684e-01 1.888e-01 1.929e-02 / CHEB/ -1.275e-01 6.834e-02 -3.047e-02 2.215e-02 / CHEB/ -8.926e-02 -1.013e-02 -6.284e-02 -2.681e-03 / CHEB/ -7.139e-02 4.290e-02 -1.105e-02 -1.807e-02 / CHEB/ -2.463e-02 2.498e-02 1.749e-02 -1.210e-02 /

465.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+5.5	+5.9	+6.1
log₁₀(k(10 bar)/[mole,m,s])	+4.6	+6.1	+6.7	+6.9

Chebyshev(coeffs=[[4.73944,0.404311,0.24611,0.0270261],[1.29064,1.19567,-0.266104,-0.0369904],[-0.11669,0.238496,-0.128261,-0.0142482],[0.0368587,-0.00892544,-0.00673018,0.0053783],[0.0281765,-0.0429606,0.0212383,0.00991425],[-0.0116033,-0.0121797,0.0289163,-0.00097705]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.21
S298 (cal/mol*K) = -28.60
G298 (kcal/mol) = -8.69

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(33); C7H10(18)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.739e+00 4.043e-01 2.461e-01 2.703e-02 / CHEB/ 1.291e+00 1.196e+00 -2.661e-01 -3.699e-02 / CHEB/ -1.167e-01 2.385e-01 -1.283e-01 -1.425e-02 / CHEB/ 3.686e-02 -8.925e-03 -6.730e-03 5.378e-03 / CHEB/ 2.818e-02 -4.296e-02 2.124e-02 9.914e-03 / CHEB/ -1.160e-02 -1.218e-02 2.892e-02 -9.771e-04 /

466.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+0.6	+1.4	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+1.3	+2.2	+2.5

Chebyshev(coeffs=[[-2.22892,1.35992,-0.190404,-0.0641713],[4.11166,0.195622,0.150702,0.0633033],[-0.175031,0.116402,-0.0429077,0.0150518],[-0.0778945,0.032999,-0.0604925,-0.0164279],[-0.0653165,0.0328578,0.00658027,-0.0204711],[-0.025016,0.0116633,0.0247484,-0.00663011]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.19
S298 (cal/mol*K) = -22.98
G298 (kcal/mol) = 13.04

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(34); C7H10(18)(+M)=>C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.229e+00 1.360e+00 -1.904e-01 -6.417e-02 / CHEB/ 4.112e+00 1.956e-01 1.507e-01 6.330e-02 / CHEB/ -1.750e-01 1.164e-01 -4.291e-02 1.505e-02 / CHEB/ -7.789e-02 3.300e-02 -6.049e-02 -1.643e-02 / CHEB/ -6.532e-02 3.286e-02 6.580e-03 -2.047e-02 / CHEB/ -2.502e-02 1.166e-02 2.475e-02 -6.630e-03 /

467.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+2.4	+3.2	+3.3
log₁₀(k(10 bar)/[mole,m,s])	+0.1	+3.1	+3.9	+4.1

Chebyshev(coeffs=[[-0.655742,1.45264,-0.133596,-0.0746096],[4.33805,0.0920615,0.0784584,0.078569],[-0.29864,0.135815,-0.0515342,0.0108344],[-0.108842,0.0540658,-0.0417378,-0.0290135],[-0.0697584,0.0254979,0.0187683,-0.0190172],[-0.0270258,0.00403528,0.0238197,0.000272145]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.49
S298 (cal/mol*K) = -9.80
G298 (kcal/mol) = 11.41

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(35); C7H10(18)(+M)=>C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.557e-01 1.453e+00 -1.336e-01 -7.461e-02 / CHEB/ 4.338e+00 9.206e-02 7.846e-02 7.857e-02 / CHEB/ -2.986e-01 1.358e-01 -5.153e-02 1.083e-02 / CHEB/ -1.088e-01 5.407e-02 -4.174e-02 -2.901e-02 / CHEB/ -6.976e-02 2.550e-02 1.877e-02 -1.902e-02 / CHEB/ -2.703e-02 4.035e-03 2.382e-02 2.721e-04 /

468.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	+0.7	+4.0	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-9.9	+1.5	+4.9	+6.4

Chebyshev(coeffs=[[-10.0109,1.58095,-0.17066,-0.0165511],[15.8952,0.233316,0.052376,-0.033824],[-0.294406,0.0800628,0.0438899,0.0106849],[-0.110088,0.00148885,0.0116317,0.0114995],[-0.0819881,0.000720851,0.00321315,0.00438318],[-0.0474531,0.00627204,0.0016855,-0.000374571]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.97
S298 (cal/mol*K) = 2.58
G298 (kcal/mol) = 50.20

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(36); C7H10(18)(+M)=>C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.001e+01 1.581e+00 -1.707e-01 -1.655e-02 / CHEB/ 1.590e+01 2.333e-01 5.238e-02 -3.382e-02 / CHEB/ -2.944e-01 8.006e-02 4.389e-02 1.068e-02 / CHEB/ -1.101e-01 1.489e-03 1.163e-02 1.150e-02 / CHEB/ -8.199e-02 7.209e-04 3.213e-03 4.383e-03 / CHEB/ -4.745e-02 6.272e-03 1.685e-03 -3.746e-04 /

469.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+2.0	+4.4	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+2.7	+5.2	+6.3

Chebyshev(coeffs=[[-5.47713,1.47526,-0.0680919,0.0218523],[11.0684,0.253803,-0.0782171,-0.0455347],[-0.159608,0.131106,0.0385195,-0.018786],[-0.0379621,0.0260184,0.0358489,0.0067207],[-0.0431452,0.00263509,0.015254,0.0131585],[-0.0264101,0.00284037,0.00121513,0.00466547]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.14
S298 (cal/mol*K) = 1.59
G298 (kcal/mol) = 33.67

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(37); C7H10(18)(+M)=>C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.477e+00 1.475e+00 -6.809e-02 2.185e-02 / CHEB/ 1.107e+01 2.538e-01 -7.822e-02 -4.553e-02 / CHEB/ -1.596e-01 1.311e-01 3.852e-02 -1.879e-02 / CHEB/ -3.796e-02 2.602e-02 3.585e-02 6.721e-03 / CHEB/ -4.315e-02 2.635e-03 1.525e-02 1.316e-02 / CHEB/ -2.641e-02 2.840e-03 1.215e-03 4.665e-03 /

471.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+4.6	+6.2	+6.8
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+5.3	+7.0	+7.6

Chebyshev(coeffs=[[-0.590531,1.48036,0.00331642,-0.0360565],[7.62898,0.107637,-0.124608,0.0461724],[-0.243382,0.146345,-0.0267671,-0.01981],[-0.0417119,0.0541389,0.0193339,-0.0253823],[-0.0447185,0.0102311,0.0280664,-0.00114941],[-0.0314495,-0.00209499,0.0100674,0.00818719]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.22
S298 (cal/mol*K) = 0.58
G298 (kcal/mol) = 19.05

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(39); C7H10(18)(+M)=>C7H10(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.905e-01 1.480e+00 3.316e-03 -3.606e-02 / CHEB/ 7.629e+00 1.076e-01 -1.246e-01 4.617e-02 / CHEB/ -2.434e-01 1.463e-01 -2.677e-02 -1.981e-02 / CHEB/ -4.171e-02 5.414e-02 1.933e-02 -2.538e-02 / CHEB/ -4.472e-02 1.023e-02 2.807e-02 -1.149e-03 / CHEB/ -3.145e-02 -2.095e-03 1.007e-02 8.187e-03 /

472.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-4.2	-1.9	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-4.3	-1.6	-0.4

Chebyshev(coeffs=[[-13.3293,0.231318,-0.392861,0.0590794],[12.8046,0.654968,-0.0464749,-0.101785],[-0.488605,0.217544,0.0831151,-0.0192423],[-0.176992,0.106726,0.0406748,0.00557145],[-0.078322,0.0833999,0.014208,0.00237127],[-0.0481654,0.046078,0.0071409,-0.0023278]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.88
S298 (cal/mol*K) = -1.27
G298 (kcal/mol) = 42.26

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(44); C7H10(18)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.333e+01 2.313e-01 -3.929e-01 5.908e-02 / CHEB/ 1.280e+01 6.550e-01 -4.647e-02 -1.018e-01 / CHEB/ -4.886e-01 2.175e-01 8.312e-02 -1.924e-02 / CHEB/ -1.770e-01 1.067e-01 4.067e-02 5.571e-03 / CHEB/ -7.832e-02 8.340e-02 1.421e-02 2.371e-03 / CHEB/ -4.817e-02 4.608e-02 7.141e-03 -2.328e-03 /

473.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.6	-6.6	-3.4	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-6.4	-2.9	-1.5

Chebyshev(coeffs=[[-18.6185,0.584166,-0.475751,-0.0165832],[17.1685,0.601503,0.0991222,-0.0624461],[-0.612179,0.164749,0.0901861,0.0118916],[-0.234736,0.0901652,0.0314273,0.00600752],[-0.106338,0.0800519,0.0166606,-0.00284656],[-0.0606224,0.0418312,0.012043,-0.00158466]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.93
S298 (cal/mol*K) = 6.86
G298 (kcal/mol) = 54.89

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(45); C7H10(18)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.862e+01 5.842e-01 -4.758e-01 -1.658e-02 / CHEB/ 1.717e+01 6.015e-01 9.912e-02 -6.245e-02 / CHEB/ -6.122e-01 1.647e-01 9.019e-02 1.189e-02 / CHEB/ -2.347e-01 9.017e-02 3.143e-02 6.008e-03 / CHEB/ -1.063e-01 8.005e-02 1.666e-02 -2.847e-03 / CHEB/ -6.062e-02 4.183e-02 1.204e-02 -1.585e-03 /

474.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-6.4	-3.4	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-6.2	-2.9	-1.6

Chebyshev(coeffs=[[-17.9766,0.540353,-0.472917,-0.00689683],[16.4742,0.611314,0.0873513,-0.0697622],[-0.627247,0.170169,0.0906623,0.00967267],[-0.238163,0.0917595,0.0320126,0.00638701],[-0.107211,0.0808885,0.0159785,-0.00272206],[-0.0605681,0.04282,0.0116075,-0.00196279]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.88
S298 (cal/mol*K) = 5.94
G298 (kcal/mol) = 53.11

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(46); C7H10(18)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.798e+01 5.404e-01 -4.729e-01 -6.897e-03 / CHEB/ 1.647e+01 6.113e-01 8.735e-02 -6.976e-02 / CHEB/ -6.272e-01 1.702e-01 9.066e-02 9.673e-03 / CHEB/ -2.382e-01 9.176e-02 3.201e-02 6.387e-03 / CHEB/ -1.072e-01 8.089e-02 1.598e-02 -2.722e-03 / CHEB/ -6.057e-02 4.282e-02 1.161e-02 -1.963e-03 /

475.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.7	-10.7	-6.6	-5.0
log₁₀(k(10 bar)/[mole,m,s])	-25.5	-10.3	-5.9	-4.1

Chebyshev(coeffs=[[-25.4903,0.89088,-0.457147,-0.0693274],[21.438,0.533827,0.153412,-0.0202008],[-0.639122,0.128785,0.0827149,0.0228096],[-0.25792,0.0719113,0.0287164,0.00640855],[-0.119609,0.0698461,0.0209413,-0.00134833],[-0.0656291,0.0338314,0.0131299,0.000654999]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.98
S298 (cal/mol*K) = 4.23
G298 (kcal/mol) = 69.72

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(47); C7H10(18)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.549e+01 8.909e-01 -4.571e-01 -6.933e-02 / CHEB/ 2.144e+01 5.338e-01 1.534e-01 -2.020e-02 / CHEB/ -6.391e-01 1.288e-01 8.271e-02 2.281e-02 / CHEB/ -2.579e-01 7.191e-02 2.872e-02 6.409e-03 / CHEB/ -1.196e-01 6.985e-02 2.094e-02 -1.348e-03 / CHEB/ -6.563e-02 3.383e-02 1.313e-02 6.550e-04 /

476.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-2.2	-0.6	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-2.3	-0.4	+0.4

Chebyshev(coeffs=[[-8.87209,0.0227247,-0.25178,0.0543345],[9.22319,0.618394,-0.193074,-0.0436071],[-0.515452,0.268216,0.0400259,-0.0499791],[-0.166537,0.128641,0.0476312,-0.0124125],[-0.0631925,0.0848631,0.0215478,0.0051246],[-0.039181,0.0439706,0.00591143,0.0026566]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.36
S298 (cal/mol*K) = -13.18
G298 (kcal/mol) = 28.28

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(48); C7H10(18)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.872e+00 2.272e-02 -2.518e-01 5.433e-02 / CHEB/ 9.223e+00 6.184e-01 -1.931e-01 -4.361e-02 / CHEB/ -5.155e-01 2.682e-01 4.003e-02 -4.998e-02 / CHEB/ -1.665e-01 1.286e-01 4.763e-02 -1.241e-02 / CHEB/ -6.319e-02 8.486e-02 2.155e-02 5.125e-03 / CHEB/ -3.918e-02 4.397e-02 5.911e-03 2.657e-03 /

477.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-3.5	-1.2	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-3.6	-1.0	+0.1

Chebyshev(coeffs=[[-12.3279,0.201598,-0.378477,0.0632719],[12.3691,0.654334,-0.0642561,-0.100283],[-0.496484,0.223241,0.0801627,-0.0233657],[-0.174666,0.109408,0.0416113,0.00437874],[-0.0754349,0.083554,0.0146483,0.00311065],[-0.0470676,0.0458453,0.00680739,-0.00189933]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.36
S298 (cal/mol*K) = -13.18
G298 (kcal/mol) = 28.28

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(49); C7H10(18)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.233e+01 2.016e-01 -3.785e-01 6.327e-02 / CHEB/ 1.237e+01 6.543e-01 -6.426e-02 -1.003e-01 / CHEB/ -4.965e-01 2.232e-01 8.016e-02 -2.337e-02 / CHEB/ -1.747e-01 1.094e-01 4.161e-02 4.379e-03 / CHEB/ -7.543e-02 8.355e-02 1.465e-02 3.111e-03 / CHEB/ -4.707e-02 4.585e-02 6.807e-03 -1.899e-03 /

478.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-2.8	-0.8	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-2.9	-0.6	+0.5

Chebyshev(coeffs=[[-10.5724,0.110966,-0.316558,0.0671144],[10.9072,0.66155,-0.133077,-0.0844686],[-0.517217,0.248886,0.0676155,-0.0379041],[-0.13369,0.116001,0.048068,-0.000821782],[0.000511678,0.0813884,0.0180862,0.00587659],[-0.0360312,0.0445468,0.00567003,0.000213522]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.66
S298 (cal/mol*K) = -13.91
G298 (kcal/mol) = 23.80

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(50); C7H10(18)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.057e+01 1.110e-01 -3.166e-01 6.711e-02 / CHEB/ 1.091e+01 6.615e-01 -1.331e-01 -8.447e-02 / CHEB/ -5.172e-01 2.489e-01 6.762e-02 -3.790e-02 / CHEB/ -1.337e-01 1.160e-01 4.807e-02 -8.218e-04 / CHEB/ 5.117e-04 8.139e-02 1.809e-02 5.877e-03 / CHEB/ -3.603e-02 4.455e-02 5.670e-03 2.135e-04 /

479.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-2.0	-0.8	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-2.3	-0.8	-0.1

Chebyshev(coeffs=[[-7.07262,-0.0550679,-0.198742,-0.00485726],[6.88109,0.494458,-0.193889,0.0485014],[-0.441128,0.309495,-0.0236673,-0.0440802],[-0.14554,0.152875,0.0241305,-0.0378779],[-0.0476052,0.089202,0.029824,-0.00389818],[-0.0272431,0.0423718,0.0140255,0.00569081]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.66
S298 (cal/mol*K) = -13.91
G298 (kcal/mol) = 23.80

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(51); C7H10(18)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.073e+00 -5.507e-02 -1.987e-01 -4.857e-03 / CHEB/ 6.881e+00 4.945e-01 -1.939e-01 4.850e-02 / CHEB/ -4.411e-01 3.095e-01 -2.367e-02 -4.408e-02 / CHEB/ -1.455e-01 1.529e-01 2.413e-02 -3.788e-02 / CHEB/ -4.761e-02 8.920e-02 2.982e-02 -3.898e-03 / CHEB/ -2.724e-02 4.237e-02 1.403e-02 5.691e-03 /

480.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.7	-0.3	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-2.0	-0.2	+0.3

Chebyshev(coeffs=[[-7.43229,-0.0826065,-0.162599,-0.0115045],[7.73762,0.50732,-0.166705,0.0183176],[-0.260714,0.33726,0.00266855,-0.0439864],[-0.16382,0.190339,0.0334985,-0.0153842],[-0.139725,0.09837,0.0289244,0.013682],[-0.0962352,0.026276,0.0118811,0.0102544]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.26
S298 (cal/mol*K) = -13.91
G298 (kcal/mol) = 25.40

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(52); C7H10(18)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.432e+00 -8.261e-02 -1.626e-01 -1.150e-02 / CHEB/ 7.738e+00 5.073e-01 -1.667e-01 1.832e-02 / CHEB/ -2.607e-01 3.373e-01 2.669e-03 -4.399e-02 / CHEB/ -1.638e-01 1.903e-01 3.350e-02 -1.538e-02 / CHEB/ -1.397e-01 9.837e-02 2.892e-02 1.368e-02 / CHEB/ -9.624e-02 2.628e-02 1.188e-02 1.025e-02 /

481.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+1.4	+2.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+1.1	+2.8	+3.6

Chebyshev(coeffs=[[-4.33437,-0.0345207,-0.200368,0.0158997],[7.8235,0.541382,-0.216642,0.0205186],[-0.427733,0.297692,-0.00100799,-0.051662],[-0.14038,0.144862,0.0378437,-0.0293983],[-0.0492717,0.0867895,0.0277386,0.000689672],[-0.0302204,0.0425218,0.00986915,0.00526515]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.92
S298 (cal/mol*K) = -4.30
G298 (kcal/mol) = 24.20

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(53); C7H10(18)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.334e+00 -3.452e-02 -2.004e-01 1.590e-02 / CHEB/ 7.824e+00 5.414e-01 -2.166e-01 2.052e-02 / CHEB/ -4.277e-01 2.977e-01 -1.008e-03 -5.166e-02 / CHEB/ -1.404e-01 1.449e-01 3.784e-02 -2.940e-02 / CHEB/ -4.927e-02 8.679e-02 2.774e-02 6.897e-04 / CHEB/ -3.022e-02 4.252e-02 9.869e-03 5.265e-03 /

482.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-1.4	+1.2	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-1.0	+2.0	+3.3

Chebyshev(coeffs=[[-9.42852,0.434438,-0.205925,0.0876602],[11.9734,1.10621,0.0617908,-0.0680486],[-0.125697,0.372768,0.110695,-0.0401152],[-0.0605126,0.0401192,0.00304117,-0.00998683],[-0.0510132,-0.0263597,-0.0254879,0.00576921],[-0.0355325,-0.0179151,-0.00616762,0.00799735]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.25
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = 35.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(54); C7H10(18)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.429e+00 4.344e-01 -2.059e-01 8.766e-02 / CHEB/ 1.197e+01 1.106e+00 6.179e-02 -6.805e-02 / CHEB/ -1.257e-01 3.728e-01 1.107e-01 -4.012e-02 / CHEB/ -6.051e-02 4.012e-02 3.041e-03 -9.987e-03 / CHEB/ -5.101e-02 -2.636e-02 -2.549e-02 5.769e-03 / CHEB/ -3.553e-02 -1.792e-02 -6.168e-03 7.997e-03 /

483.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+0.1	+1.8	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.1	+2.0	+2.8

Chebyshev(coeffs=[[-6.43325,0.00892016,-0.229122,0.0403874],[9.08151,0.612406,-0.209993,-0.0220732],[-0.372025,0.285223,0.0312325,-0.0539627],[-0.142611,0.134291,0.049421,-0.0170753],[-0.0624995,0.0851157,0.0242496,0.00520557],[-0.0401901,0.0432891,0.00650167,0.00397456]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.34
S298 (cal/mol*K) = -8.41
G298 (kcal/mol) = 28.85

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(55); C7H10(18)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.433e+00 8.920e-03 -2.291e-01 4.039e-02 / CHEB/ 9.082e+00 6.124e-01 -2.100e-01 -2.207e-02 / CHEB/ -3.720e-01 2.852e-01 3.123e-02 -5.396e-02 / CHEB/ -1.426e-01 1.343e-01 4.942e-02 -1.708e-02 / CHEB/ -6.250e-02 8.512e-02 2.425e-02 5.206e-03 / CHEB/ -4.019e-02 4.329e-02 6.502e-03 3.975e-03 /

484.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-2.0	+0.9	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-1.9	+1.3	+2.6

Chebyshev(coeffs=[[-12.6922,0.431383,-0.455277,0.0190817],[15.217,0.645038,0.0502854,-0.0888284],[-0.499912,0.187861,0.092734,0.00246965],[-0.178764,0.095464,0.0349277,0.00787189],[-0.0907534,0.0812579,0.0145812,-0.00147003],[-0.0434722,0.0437885,0.0103207,-0.00253867]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.56
S298 (cal/mol*K) = -2.67
G298 (kcal/mol) = 30.36

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(56); C7H10(18)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.269e+01 4.314e-01 -4.553e-01 1.908e-02 / CHEB/ 1.522e+01 6.450e-01 5.029e-02 -8.883e-02 / CHEB/ -4.999e-01 1.879e-01 9.273e-02 2.470e-03 / CHEB/ -1.788e-01 9.546e-02 3.493e-02 7.872e-03 / CHEB/ -9.075e-02 8.126e-02 1.458e-02 -1.470e-03 / CHEB/ -4.347e-02 4.379e-02 1.032e-02 -2.539e-03 /

517.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.6	-5.4	-1.1	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-19.2	-5.6	-1.2	+0.9

Chebyshev(coeffs=[[-11.6226,-0.719772,-0.235393,-0.0112465],[18.5225,0.46529,0.0729176,-0.0489231],[0.12442,0.149585,0.0615485,0.000604447],[-0.0430528,-0.00573716,0.0229313,0.0143043],[-0.0408177,-0.0134226,0.00206198,0.00790772],[-0.014117,-0.00601281,-0.00356663,0.00138179]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.13
S298 (cal/mol*K) = -5.39
G298 (kcal/mol) = 11.74

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(206); H(25), C7H10(206); C7H9(5)+H(25)(+M)=>C7H10(206)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.162e+01 -7.198e-01 -2.354e-01 -1.125e-02 / CHEB/ 1.852e+01 4.653e-01 7.292e-02 -4.892e-02 / CHEB/ 1.244e-01 1.496e-01 6.155e-02 6.044e-04 / CHEB/ -4.305e-02 -5.737e-03 2.293e-02 1.430e-02 / CHEB/ -4.082e-02 -1.342e-02 2.062e-03 7.908e-03 / CHEB/ -1.412e-02 -6.013e-03 -3.567e-03 1.382e-03 /

518.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-2.3	+0.7	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-2.7	+0.5	+2.1

Chebyshev(coeffs=[[-4.76303,-0.928904,-0.134885,0.000123412],[12.6146,0.516101,-0.0781724,-0.0429612],[0.294041,0.223109,0.0465064,-0.0178329],[-0.0272706,0.0336614,0.0450927,0.000717607],[-0.0424411,-0.012969,0.019723,0.00907377],[-0.0177607,-0.0138927,0.000457975,0.00614067]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.53
S298 (cal/mol*K) = -8.83
G298 (kcal/mol) = 10.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(207); H(25), C7H10(207); C7H9(5)+H(25)(+M)=>C7H10(207)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.763e+00 -9.289e-01 -1.349e-01 1.234e-04 / CHEB/ 1.261e+01 5.161e-01 -7.817e-02 -4.296e-02 / CHEB/ 2.940e-01 2.231e-01 4.651e-02 -1.783e-02 / CHEB/ -2.727e-02 3.366e-02 4.509e-02 7.176e-04 / CHEB/ -4.244e-02 -1.297e-02 1.972e-02 9.074e-03 / CHEB/ -1.776e-02 -1.389e-02 4.580e-04 6.141e-03 /

519.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.7	-3.8	-0.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-15.4	-4.2	-0.5	+1.2

Chebyshev(coeffs=[[-7.75206,-0.869943,-0.184589,0.00362952],[14.8873,0.521582,-0.0154392,-0.0560227],[0.202808,0.190063,0.0563582,-0.0115986],[-0.0411691,0.0141687,0.0379327,0.00771871],[-0.0598932,-0.0135776,0.0117156,0.0098312],[-0.0272614,-0.01009,-0.00205553,0.00445517]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.13
S298 (cal/mol*K) = -5.39
G298 (kcal/mol) = 11.74

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(208); H(25), C7H10(208); C7H9(5)+H(25)(+M)=>C7H10(208)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.752e+00 -8.699e-01 -1.846e-01 3.630e-03 / CHEB/ 1.489e+01 5.216e-01 -1.544e-02 -5.602e-02 / CHEB/ 2.028e-01 1.901e-01 5.636e-02 -1.160e-02 / CHEB/ -4.117e-02 1.417e-02 3.793e-02 7.719e-03 / CHEB/ -5.989e-02 -1.358e-02 1.172e-02 9.831e-03 / CHEB/ -2.726e-02 -1.009e-02 -2.056e-03 4.455e-03 /

520.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-4.7	-1.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-5.1	-1.3	+0.4

Chebyshev(coeffs=[[-8.69375,-0.865175,-0.184149,0.00337562],[14.9725,0.526956,-0.0132586,-0.0560999],[0.209066,0.190439,0.0581509,-0.0110927],[-0.0339297,0.0126255,0.0381273,0.00836355],[-0.0374679,-0.0150767,0.0112888,0.0101401],[-0.0188069,-0.0106405,-0.00260581,0.00442802]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.53
S298 (cal/mol*K) = -8.83
G298 (kcal/mol) = 10.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(209); H(25), C7H10(209); C7H9(5)+H(25)(+M)=>C7H10(209)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.694e+00 -8.652e-01 -1.841e-01 3.376e-03 / CHEB/ 1.497e+01 5.270e-01 -1.326e-02 -5.610e-02 / CHEB/ 2.091e-01 1.904e-01 5.815e-02 -1.109e-02 / CHEB/ -3.393e-02 1.263e-02 3.813e-02 8.364e-03 / CHEB/ -3.747e-02 -1.508e-02 1.129e-02 1.014e-02 / CHEB/ -1.881e-02 -1.064e-02 -2.606e-03 4.428e-03 /

521.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-5.1	-1.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-5.4	-2.0	-0.4

Chebyshev(coeffs=[[-8.17301,-0.906949,-0.157963,0.00270977],[13.6452,0.52723,-0.0498224,-0.0501335],[0.231722,0.207399,0.052159,-0.0153106],[-0.0360031,0.0234432,0.0423629,0.0042005],[-0.042817,-0.0139437,0.0158888,0.00978034],[-0.0192812,-0.0123835,-0.0010202,0.00547174]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.41
S298 (cal/mol*K) = -7.05
G298 (kcal/mol) = 28.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(210); H(25), C7H10(210); C7H9(5)+H(25)(+M)=>C7H10(210)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.173e+00 -9.069e-01 -1.580e-01 2.710e-03 / CHEB/ 1.365e+01 5.272e-01 -4.982e-02 -5.013e-02 / CHEB/ 2.317e-01 2.074e-01 5.216e-02 -1.531e-02 / CHEB/ -3.600e-02 2.344e-02 4.236e-02 4.201e-03 / CHEB/ -4.282e-02 -1.394e-02 1.589e-02 9.780e-03 / CHEB/ -1.928e-02 -1.238e-02 -1.020e-03 5.472e-03 /

522.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-5.1	-1.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-5.4	-2.0	-0.4

H298 (kcal/mol) = 26.00
S298 (cal/mol*K) = -3.64
G298 (kcal/mol) = 27.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(211); H(25), C7H10(211); C7H9(5)+H(25)(+M)=>C7H10(211)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.173e+00 -9.069e-01 -1.580e-01 2.710e-03 / CHEB/ 1.365e+01 5.272e-01 -4.982e-02 -5.013e-02 / CHEB/ 2.317e-01 2.074e-01 5.216e-02 -1.531e-02 / CHEB/ -3.600e-02 2.344e-02 4.236e-02 4.201e-03 / CHEB/ -4.282e-02 -1.394e-02 1.589e-02 9.780e-03 / CHEB/ -1.928e-02 -1.238e-02 -1.020e-03 5.472e-03 /

523.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-5.4	-0.6	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-20.9	-5.5	-0.7	+1.5

Chebyshev(coeffs=[[-13.4679,-0.590651,-0.244374,-0.033275],[21.2658,0.387125,0.110924,-0.0257584],[-0.0688736,0.120059,0.0560925,0.00798969],[-0.0990156,-0.01261,0.0118286,0.013993],[-0.0598193,-0.0092543,-0.000947254,0.00453912],[-0.0342643,-0.00244049,-0.00252296,-0.000367176]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.83
S298 (cal/mol*K) = 30.67
G298 (kcal/mol) = 58.69

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(81); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.347e+01 -5.907e-01 -2.444e-01 -3.327e-02 / CHEB/ 2.127e+01 3.871e-01 1.109e-01 -2.576e-02 / CHEB/ -6.887e-02 1.201e-01 5.609e-02 7.990e-03 / CHEB/ -9.902e-02 -1.261e-02 1.183e-02 1.399e-02 / CHEB/ -5.982e-02 -9.254e-03 -9.473e-04 4.539e-03 / CHEB/ -3.426e-02 -2.440e-03 -2.523e-03 -3.672e-04 /

524.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+2.9	+4.1	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+2.3	+3.7	+4.2

Chebyshev(coeffs=[[6.33221,-0.755745,0.00274794,-0.0260301],[3.62034,-0.0350571,-0.176932,0.043372],[0.530967,0.233948,-0.0582693,-0.0431925],[-0.0619779,0.147318,0.0219265,-0.021474],[-0.0899658,0.0593909,0.0304355,0.00324379],[-0.0382283,0.00498401,0.0135238,0.0021041]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.48
S298 (cal/mol*K) = -10.25
G298 (kcal/mol) = -40.43

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(212); H(25), C7H10(212); C7H9(5)+H(25)(+M)=>C7H10(212)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.332e+00 -7.557e-01 2.748e-03 -2.603e-02 / CHEB/ 3.620e+00 -3.506e-02 -1.769e-01 4.337e-02 / CHEB/ 5.310e-01 2.339e-01 -5.827e-02 -4.319e-02 / CHEB/ -6.198e-02 1.473e-01 2.193e-02 -2.147e-02 / CHEB/ -8.997e-02 5.939e-02 3.044e-02 3.244e-03 / CHEB/ -3.823e-02 4.984e-03 1.352e-02 2.104e-03 /

525.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+2.9	+4.1	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+2.3	+3.7	+4.2

H298 (kcal/mol) = -40.79
S298 (cal/mol*K) = -9.41
G298 (kcal/mol) = -37.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(213); H(25), C7H10(213); C7H9(5)+H(25)(+M)=>C7H10(213)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.332e+00 -7.557e-01 2.748e-03 -2.603e-02 / CHEB/ 3.620e+00 -3.506e-02 -1.769e-01 4.337e-02 / CHEB/ 5.310e-01 2.339e-01 -5.827e-02 -4.319e-02 / CHEB/ -6.198e-02 1.473e-01 2.193e-02 -2.147e-02 / CHEB/ -8.997e-02 5.939e-02 3.044e-02 3.244e-03 / CHEB/ -3.823e-02 4.984e-03 1.352e-02 2.104e-03 /

526.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.5	-13.5	-5.2	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-38.6	-13.5	-5.3	-1.3

Chebyshev(coeffs=[[-30.4332,-0.247864,-0.145121,-0.0571806],[35.1988,0.164019,0.0875554,0.0261746],[0.0758736,0.0507477,0.0301663,0.0122219],[-0.0710528,-0.0145338,-0.00444764,0.00210973],[-0.05731,-0.000300688,-0.000513234,-0.000408308],[-0.0332802,0.00130243,0.000235125,-0.000384104]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 105.06
S298 (cal/mol*K) = 35.61
G298 (kcal/mol) = 94.45

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H6(214); H(25), C3H4(73); C7H9(5)+H(25)(+M)=>C4H6(214)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.043e+01 -2.479e-01 -1.451e-01 -5.718e-02 / CHEB/ 3.520e+01 1.640e-01 8.756e-02 2.617e-02 / CHEB/ 7.587e-02 5.075e-02 3.017e-02 1.222e-02 / CHEB/ -7.105e-02 -1.453e-02 -4.448e-03 2.110e-03 / CHEB/ -5.731e-02 -3.007e-04 -5.132e-04 -4.083e-04 / CHEB/ -3.328e-02 1.302e-03 2.351e-04 -3.841e-04 /

527.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.8	-13.9	-5.7	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-39.0	-14.0	-5.8	-1.8

Chebyshev(coeffs=[[-30.8057,-0.249844,-0.14605,-0.0573343],[35.0779,0.165324,0.0880332,0.0261012],[0.0751609,0.0511396,0.0303638,0.0122667],[-0.0727129,-0.0145399,-0.00438307,0.00219284],[-0.0587681,-0.000292821,-0.00050875,-0.000402751],[-0.0331624,0.00129318,0.000222485,-0.000394286]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 104.47
S298 (cal/mol*K) = 32.57
G298 (kcal/mol) = 94.77

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(215); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>C6H8(215)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.081e+01 -2.498e-01 -1.460e-01 -5.733e-02 / CHEB/ 3.508e+01 1.653e-01 8.803e-02 2.610e-02 / CHEB/ 7.516e-02 5.114e-02 3.036e-02 1.227e-02 / CHEB/ -7.271e-02 -1.454e-02 -4.383e-03 2.193e-03 / CHEB/ -5.877e-02 -2.928e-04 -5.088e-04 -4.028e-04 / CHEB/ -3.316e-02 1.293e-03 2.225e-04 -3.943e-04 /

528.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-2.3	+0.9	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-2.7	+0.7	+2.2

Chebyshev(coeffs=[[-5.45177,-0.909301,-0.163043,0.00358521],[13.6368,0.517999,-0.0465991,-0.0510847],[0.132193,0.204356,0.0491847,-0.0153259],[-0.0607717,0.0247294,0.0410188,0.0036883],[-0.0502719,-0.0119544,0.0161276,0.00919875],[-0.0215404,-0.0114296,-0.000415298,0.00532469]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.82
S298 (cal/mol*K) = 2.31
G298 (kcal/mol) = 10.14

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(216); H(25), C7H10(216); C7H9(5)+H(25)(+M)=>C7H10(216)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.452e+00 -9.093e-01 -1.630e-01 3.585e-03 / CHEB/ 1.364e+01 5.180e-01 -4.660e-02 -5.108e-02 / CHEB/ 1.322e-01 2.044e-01 4.918e-02 -1.533e-02 / CHEB/ -6.077e-02 2.473e-02 4.102e-02 3.688e-03 / CHEB/ -5.027e-02 -1.195e-02 1.613e-02 9.199e-03 / CHEB/ -2.154e-02 -1.143e-02 -4.153e-04 5.325e-03 /

565.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+5.0	+6.0	+5.9
log₁₀(k(10 bar)/[mole,m,s])	-2.1	+3.9	+5.4	+5.5

Chebyshev(coeffs=[[6.26343,-2.21957,-0.152441,0.0173369],[5.7856,0.973855,-0.264515,-0.0417934],[0.286107,0.561023,0.0506395,-0.0468253],[-0.338918,0.123367,0.0845573,0.00473925],[-0.258216,-0.0370315,0.0338465,0.01381],[-0.105063,-0.0438371,-0.00246101,0.00199812]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.66
S298 (cal/mol*K) = 22.64
G298 (kcal/mol) = 2.92

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(217); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C5H7(217)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.263e+00 -2.220e+00 -1.524e-01 1.734e-02 / CHEB/ 5.786e+00 9.739e-01 -2.645e-01 -4.179e-02 / CHEB/ 2.861e-01 5.610e-01 5.064e-02 -4.683e-02 / CHEB/ -3.389e-01 1.234e-01 8.456e-02 4.739e-03 / CHEB/ -2.582e-01 -3.703e-02 3.385e-02 1.381e-02 / CHEB/ -1.051e-01 -4.384e-02 -2.461e-03 1.998e-03 /

566.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+5.5	+6.5	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+4.4	+5.8	+5.9

Chebyshev(coeffs=[[7.80683,-2.24711,-0.108004,-0.0164667],[4.44464,0.772038,-0.280811,0.0247361],[0.531456,0.596167,-0.0125592,-0.0629634],[-0.293833,0.170174,0.0890398,-0.0100233],[-0.256538,-0.0168058,0.0458537,0.0190066],[-0.110759,-0.0432579,-0.000932999,0.00602772]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.53
S298 (cal/mol*K) = 12.93
G298 (kcal/mol) = -5.38

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(218); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.807e+00 -2.247e+00 -1.080e-01 -1.647e-02 / CHEB/ 4.445e+00 7.720e-01 -2.808e-01 2.474e-02 / CHEB/ 5.315e-01 5.962e-01 -1.256e-02 -6.296e-02 / CHEB/ -2.938e-01 1.702e-01 8.904e-02 -1.002e-02 / CHEB/ -2.565e-01 -1.681e-02 4.585e-02 1.901e-02 / CHEB/ -1.108e-01 -4.326e-02 -9.330e-04 6.028e-03 /

567.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	+0.9	+2.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-7.8	+0.0	+2.1	+2.6

Chebyshev(coeffs=[[0.440428,-2.10988,-0.255278,0.030372],[8.63434,1.10533,-0.145727,-0.0864831],[0.190741,0.504438,0.0804235,-0.0229743],[-0.290627,0.0729916,0.0756696,0.00836054],[-0.225803,-0.0521847,0.0257177,0.0101169],[-0.0921522,-0.0398917,-0.0053874,0.00227918]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.06
S298 (cal/mol*K) = 15.90
G298 (kcal/mol) = 18.32

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(219); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(219)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.404e-01 -2.110e+00 -2.553e-01 3.037e-02 / CHEB/ 8.634e+00 1.105e+00 -1.457e-01 -8.648e-02 / CHEB/ 1.907e-01 5.044e-01 8.042e-02 -2.297e-02 / CHEB/ -2.906e-01 7.299e-02 7.567e-02 8.361e-03 / CHEB/ -2.258e-01 -5.218e-02 2.572e-02 1.012e-02 / CHEB/ -9.215e-02 -3.989e-02 -5.387e-03 2.279e-03 /

568.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+2.3	+3.7	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+1.3	+3.1	+3.3

Chebyshev(coeffs=[[3.52806,-2.21787,-0.130208,0.0118965],[6.09555,0.97372,-0.266691,-0.02535],[0.485575,0.593121,0.0511338,-0.0499126],[-0.296555,0.133924,0.0902211,0.00529208],[-0.250542,-0.0402334,0.0332313,0.0156878],[-0.104517,-0.0508807,-0.00569577,0.00140976]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.45
S298 (cal/mol*K) = 9.30
G298 (kcal/mol) = 5.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(220); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(220)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.528e+00 -2.218e+00 -1.302e-01 1.190e-02 / CHEB/ 6.096e+00 9.737e-01 -2.667e-01 -2.535e-02 / CHEB/ 4.856e-01 5.931e-01 5.113e-02 -4.991e-02 / CHEB/ -2.966e-01 1.339e-01 9.022e-02 5.292e-03 / CHEB/ -2.505e-01 -4.023e-02 3.323e-02 1.569e-02 / CHEB/ -1.045e-01 -5.088e-02 -5.696e-03 1.410e-03 /

569.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-3.2	-0.7	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-3.9	-1.0	-0.1

Chebyshev(coeffs=[[-6.41432,-1.74055,-0.397546,0.000687336],[12.8817,1.06288,0.0553788,-0.0790608],[-0.0429646,0.387244,0.108819,-0.00940618],[-0.269529,0.0104924,0.0538958,0.0142593],[-0.185909,-0.0574484,0.00675136,0.0117092],[-0.0761649,-0.0280448,-0.0098893,0.0019764]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.06
S298 (cal/mol*K) = 13.20
G298 (kcal/mol) = 36.13

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(221); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(221)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.414e+00 -1.741e+00 -3.975e-01 6.873e-04 / CHEB/ 1.288e+01 1.063e+00 5.538e-02 -7.906e-02 / CHEB/ -4.296e-02 3.872e-01 1.088e-01 -9.406e-03 / CHEB/ -2.695e-01 1.049e-02 5.390e-02 1.426e-02 / CHEB/ -1.859e-01 -5.745e-02 6.751e-03 1.171e-02 / CHEB/ -7.616e-02 -2.804e-02 -9.889e-03 1.976e-03 /

570.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-3.2	-0.7	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-3.9	-1.0	-0.1

H298 (kcal/mol) = 40.06
S298 (cal/mol*K) = 13.20
G298 (kcal/mol) = 36.13

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(222); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(222)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.414e+00 -1.741e+00 -3.975e-01 6.873e-04 / CHEB/ 1.288e+01 1.063e+00 5.538e-02 -7.906e-02 / CHEB/ -4.296e-02 3.872e-01 1.088e-01 -9.406e-03 / CHEB/ -2.695e-01 1.049e-02 5.390e-02 1.426e-02 / CHEB/ -1.859e-01 -5.745e-02 6.751e-03 1.171e-02 / CHEB/ -7.616e-02 -2.804e-02 -9.889e-03 1.976e-03 /

571.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-2.2	+0.0	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-3.0	-0.3	+0.4

Chebyshev(coeffs=[[-4.68444,-1.86732,-0.363232,0.0104189],[11.6803,1.10523,0.00086379,-0.0833318],[0.0231729,0.42263,0.102885,-0.0132968],[-0.271218,0.0246723,0.0615982,0.0117686],[-0.195559,-0.0580997,0.0125615,0.0115636],[-0.0803992,-0.0317108,-0.00898687,0.00267483]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.36
S298 (cal/mol*K) = 13.20
G298 (kcal/mol) = 31.43

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(223); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(223)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.684e+00 -1.867e+00 -3.632e-01 1.042e-02 / CHEB/ 1.168e+01 1.105e+00 8.638e-04 -8.333e-02 / CHEB/ 2.317e-02 4.226e-01 1.029e-01 -1.330e-02 / CHEB/ -2.712e-01 2.467e-02 6.160e-02 1.177e-02 / CHEB/ -1.956e-01 -5.810e-02 1.256e-02 1.156e-02 / CHEB/ -8.040e-02 -3.171e-02 -8.987e-03 2.675e-03 /

572.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-1.7	+0.8	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-2.4	+0.4	+1.3

Chebyshev(coeffs=[[-4.47616,-1.81409,-0.378896,0.00630494],[12.2917,1.08958,0.0249359,-0.0816164],[0.0143826,0.40727,0.105787,-0.0117566],[-0.264278,0.0181769,0.0583813,0.0128293],[-0.18931,-0.0579665,0.010016,0.0117268],[-0.0778042,-0.0301627,-0.00942048,0.00242121]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.56
S298 (cal/mol*K) = 12.78
G298 (kcal/mol) = 33.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(224); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(224)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.476e+00 -1.814e+00 -3.789e-01 6.305e-03 / CHEB/ 1.229e+01 1.090e+00 2.494e-02 -8.162e-02 / CHEB/ 1.438e-02 4.073e-01 1.058e-01 -1.176e-02 / CHEB/ -2.643e-01 1.818e-02 5.838e-02 1.283e-02 / CHEB/ -1.893e-01 -5.797e-02 1.002e-02 1.173e-02 / CHEB/ -7.780e-02 -3.016e-02 -9.420e-03 2.421e-03 /

573.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+5.4	+6.0	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+4.1	+5.2	+5.1

Chebyshev(coeffs=[[8.76518,-2.28915,-0.0801462,-0.0315414],[2.90098,0.612719,-0.232317,0.0628962],[0.355161,0.5829,-0.058383,-0.0473549],[-0.268084,0.237052,0.0685953,-0.0280342],[-0.250707,0.0277215,0.0613295,0.0144478],[-0.119671,-0.037065,0.00832106,0.0126413]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.90
S298 (cal/mol*K) = -8.48
G298 (kcal/mol) = -23.37

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(225); H(25), C7H10(225); C7H9(5)+H(25)(+M)=>C7H10(225)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.765e+00 -2.289e+00 -8.015e-02 -3.154e-02 / CHEB/ 2.901e+00 6.127e-01 -2.323e-01 6.290e-02 / CHEB/ 3.552e-01 5.829e-01 -5.838e-02 -4.735e-02 / CHEB/ -2.681e-01 2.371e-01 6.860e-02 -2.803e-02 / CHEB/ -2.507e-01 2.772e-02 6.133e-02 1.445e-02 / CHEB/ -1.197e-01 -3.707e-02 8.321e-03 1.264e-02 /

574.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+5.0	+5.5	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+3.7	+4.6	+4.5

Chebyshev(coeffs=[[8.38522,-2.31038,-0.0902105,-0.0325072],[2.77131,0.573486,-0.250671,0.0598948],[0.270312,0.550068,-0.0709588,-0.0500716],[-0.293861,0.215846,0.0612405,-0.0296856],[-0.235344,0.020038,0.0583917,0.0133861],[-0.110328,-0.035036,0.00903454,0.0122672]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.17
S298 (cal/mol*K) = -11.82
G298 (kcal/mol) = -22.64

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(226); H(25), C7H10(226); C7H9(5)+H(25)(+M)=>C7H10(226)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.385e+00 -2.310e+00 -9.021e-02 -3.251e-02 / CHEB/ 2.771e+00 5.735e-01 -2.507e-01 5.989e-02 / CHEB/ 2.703e-01 5.501e-01 -7.096e-02 -5.007e-02 / CHEB/ -2.939e-01 2.158e-01 6.124e-02 -2.969e-02 / CHEB/ -2.353e-01 2.004e-02 5.839e-02 1.339e-02 / CHEB/ -1.103e-01 -3.504e-02 9.035e-03 1.227e-02 /

575.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+3.3	+4.4	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+2.2	+3.8	+4.0

Chebyshev(coeffs=[[4.93363,-2.22833,-0.122553,-0.000777088],[5.3807,0.886053,-0.285312,-0.00676548],[0.462994,0.590134,0.0249839,-0.0590359],[-0.304901,0.144356,0.0899987,-0.000235812],[-0.222517,-0.0300575,0.0388191,0.0168919],[-0.0960403,-0.0456773,-0.00208222,0.00341395]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.41
S298 (cal/mol*K) = -4.70
G298 (kcal/mol) = -9.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(227); H(25), C7H10(227); C7H9(5)+H(25)(+M)=>C7H10(227)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.934e+00 -2.228e+00 -1.226e-01 -7.771e-04 / CHEB/ 5.381e+00 8.861e-01 -2.853e-01 -6.765e-03 / CHEB/ 4.630e-01 5.901e-01 2.498e-02 -5.904e-02 / CHEB/ -3.049e-01 1.444e-01 9.000e-02 -2.358e-04 / CHEB/ -2.225e-01 -3.006e-02 3.882e-02 1.689e-02 / CHEB/ -9.604e-02 -4.568e-02 -2.082e-03 3.414e-03 /

576.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-3.1	-1.1	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-3.9	-1.5	-0.9

Chebyshev(coeffs=[[-4.40771,-2.01055,-0.304761,0.0227262],[10.0162,1.13557,-0.0784653,-0.0884299],[0.0862509,0.473125,0.093246,-0.0175102],[-0.27591,0.0475635,0.0709628,0.00960195],[-0.173863,-0.0591473,0.0203162,0.0107674],[-0.0707366,-0.0377876,-0.00758942,0.00290237]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.59
S298 (cal/mol*K) = -7.40
G298 (kcal/mol) = 8.80

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(228); H(25), C7H10(228); C7H9(5)+H(25)(+M)=>C7H10(228)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.408e+00 -2.011e+00 -3.048e-01 2.273e-02 / CHEB/ 1.002e+01 1.136e+00 -7.847e-02 -8.843e-02 / CHEB/ 8.625e-02 4.731e-01 9.325e-02 -1.751e-02 / CHEB/ -2.759e-01 4.756e-02 7.096e-02 9.602e-03 / CHEB/ -1.739e-01 -5.915e-02 2.032e-02 1.077e-02 / CHEB/ -7.074e-02 -3.779e-02 -7.589e-03 2.902e-03 /

577.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-1.1	+0.5	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-2.0	+0.1	+0.4

Chebyshev(coeffs=[[-1.05669,-2.56019,-0.284721,0.0156113],[7.83125,1.77469,-0.0601268,-0.0662738],[0.383967,0.481059,0.0923273,-0.0168484],[-0.317375,-0.0099373,0.059692,0.0122283],[-0.238823,-0.0715497,0.0130199,0.00636414],[-0.105761,-0.0443595,-0.00781943,-0.00113993]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.29
S298 (cal/mol*K) = -3.99
G298 (kcal/mol) = 1.48

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(229); H(25), C7H10(229); C7H9(5)+H(25)(+M)=>C7H10(229)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.057e+00 -2.560e+00 -2.847e-01 1.561e-02 / CHEB/ 7.831e+00 1.775e+00 -6.013e-02 -6.627e-02 / CHEB/ 3.840e-01 4.811e-01 9.233e-02 -1.685e-02 / CHEB/ -3.174e-01 -9.937e-03 5.969e-02 1.223e-02 / CHEB/ -2.388e-01 -7.155e-02 1.302e-02 6.364e-03 / CHEB/ -1.058e-01 -4.436e-02 -7.819e-03 -1.140e-03 /

578.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+3.6	+4.8	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+2.5	+4.2	+4.4

Chebyshev(coeffs=[[5.07236,-2.2341,-0.128939,0.00506761],[5.66781,0.902438,-0.283605,-0.0161543],[0.472987,0.577819,0.0318877,-0.0557768],[-0.305916,0.13928,0.0874257,0.00115194],[-0.250229,-0.0301919,0.0370105,0.0159035],[-0.10375,-0.0439742,-0.00192252,0.00287202]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.21
S298 (cal/mol*K) = -1.82
G298 (kcal/mol) = -7.66

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(230); H(25), C7H10(230); C7H9(5)+H(25)(+M)=>C7H10(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.072e+00 -2.234e+00 -1.289e-01 5.068e-03 / CHEB/ 5.668e+00 9.024e-01 -2.836e-01 -1.615e-02 / CHEB/ 4.730e-01 5.778e-01 3.189e-02 -5.578e-02 / CHEB/ -3.059e-01 1.393e-01 8.743e-02 1.152e-03 / CHEB/ -2.502e-01 -3.019e-02 3.701e-02 1.590e-02 / CHEB/ -1.037e-01 -4.397e-02 -1.923e-03 2.872e-03 /

579.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.0	+3.8	+4.5	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+2.6	+3.6	+3.5

Chebyshev(coeffs=[[6.83136,-2.28445,-0.0974008,-0.0267327],[3.27256,0.649844,-0.265485,0.0478125],[0.373896,0.573242,-0.0499834,-0.057307],[-0.311205,0.198561,0.0753571,-0.0221973],[-0.266278,0.00348933,0.0541743,0.0171765],[-0.117775,-0.0392215,0.00366524,0.00995698]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.06
S298 (cal/mol*K) = -3.68
G298 (kcal/mol) = -11.96

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(231); H(25), C7H10(231); C7H9(5)+H(25)(+M)=>C7H10(231)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.831e+00 -2.284e+00 -9.740e-02 -2.673e-02 / CHEB/ 3.273e+00 6.498e-01 -2.655e-01 4.781e-02 / CHEB/ 3.739e-01 5.732e-01 -4.998e-02 -5.731e-02 / CHEB/ -3.112e-01 1.986e-01 7.536e-02 -2.220e-02 / CHEB/ -2.663e-01 3.489e-03 5.417e-02 1.718e-02 / CHEB/ -1.178e-01 -3.922e-02 3.665e-03 9.957e-03 /

580.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-0.8	+0.6	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-1.8	-0.0	+0.3

Chebyshev(coeffs=[[-0.0698475,-2.20771,-0.168565,0.0228777],[6.73993,1.00704,-0.24811,-0.0543915],[0.373699,0.551455,0.0581814,-0.0415569],[-0.299569,0.114543,0.0829488,0.00599406],[-0.243094,-0.040334,0.0324105,0.0127501],[-0.0991985,-0.0435049,-0.00285231,0.00178001]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.94
S298 (cal/mol*K) = -6.38
G298 (kcal/mol) = 5.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(232); H(25), C7H10(232); C7H9(5)+H(25)(+M)=>C7H10(232)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.985e-02 -2.208e+00 -1.686e-01 2.288e-02 / CHEB/ 6.740e+00 1.007e+00 -2.481e-01 -5.439e-02 / CHEB/ 3.737e-01 5.515e-01 5.818e-02 -4.156e-02 / CHEB/ -2.996e-01 1.145e-01 8.295e-02 5.994e-03 / CHEB/ -2.431e-01 -4.033e-02 3.241e-02 1.275e-02 / CHEB/ -9.920e-02 -4.350e-02 -2.852e-03 1.780e-03 /

581.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.4	+0.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-1.4	+0.3	+0.5

Chebyshev(coeffs=[[0.60065,-2.21703,-0.156162,0.0187933],[6.35717,0.982303,-0.260868,-0.044998],[0.382804,0.558689,0.0525931,-0.0455313],[-0.307099,0.121273,0.0841725,0.00506955],[-0.247278,-0.0378577,0.0334879,0.0135483],[-0.101044,-0.0437737,-0.00254898,0.00193031]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.34
S298 (cal/mol*K) = -4.45
G298 (kcal/mol) = 3.67

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(233); H(25), C7H10(233); C7H9(5)+H(25)(+M)=>C7H10(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.007e-01 -2.217e+00 -1.562e-01 1.879e-02 / CHEB/ 6.357e+00 9.823e-01 -2.609e-01 -4.500e-02 / CHEB/ 3.828e-01 5.587e-01 5.259e-02 -4.553e-02 / CHEB/ -3.071e-01 1.213e-01 8.417e-02 5.070e-03 / CHEB/ -2.473e-01 -3.786e-02 3.349e-02 1.355e-02 / CHEB/ -1.010e-01 -4.377e-02 -2.549e-03 1.930e-03 /

582.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+3.6	+4.4	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+2.5	+3.9	+4.0

Chebyshev(coeffs=[[6.5123,-2.10582,-0.0467705,-0.0138891],[3.69123,0.933096,-0.191863,0.049308],[0.499637,0.665943,-0.00444055,-0.0554583],[-0.267437,0.192377,0.0779872,-0.0191087],[-0.232856,-0.0105215,0.0420768,0.0123887],[-0.0955289,-0.0430392,0.000815852,0.00622071]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.31
S298 (cal/mol*K) = -0.90
G298 (kcal/mol) = -12.04

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(234); H(25), C7H10(234); C7H9(5)+H(25)(+M)=>C7H10(234)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.512e+00 -2.106e+00 -4.677e-02 -1.389e-02 / CHEB/ 3.691e+00 9.331e-01 -1.919e-01 4.931e-02 / CHEB/ 4.996e-01 6.659e-01 -4.441e-03 -5.546e-02 / CHEB/ -2.674e-01 1.924e-01 7.799e-02 -1.911e-02 / CHEB/ -2.329e-01 -1.052e-02 4.208e-02 1.239e-02 / CHEB/ -9.553e-02 -4.304e-02 8.159e-04 6.221e-03 /

583.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+3.1	+3.5	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+1.7	+2.6	+2.4

Chebyshev(coeffs=[[6.63171,-2.32724,-0.086381,-0.0346159],[2.50379,0.53143,-0.242453,0.0652946],[0.250302,0.53296,-0.079648,-0.0458535],[-0.29067,0.221702,0.0528345,-0.0327704],[-0.255988,0.0293646,0.0588269,0.010821],[-0.118474,-0.0309405,0.0118255,0.0128679]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.70
S298 (cal/mol*K) = -17.19
G298 (kcal/mol) = -31.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(235); H(25), C7H10(235); C7H9(5)+H(25)(+M)=>C7H10(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.632e+00 -2.327e+00 -8.638e-02 -3.462e-02 / CHEB/ 2.504e+00 5.314e-01 -2.425e-01 6.529e-02 / CHEB/ 2.503e-01 5.330e-01 -7.965e-02 -4.585e-02 / CHEB/ -2.907e-01 2.217e-01 5.283e-02 -3.277e-02 / CHEB/ -2.560e-01 2.936e-02 5.883e-02 1.082e-02 / CHEB/ -1.185e-01 -3.094e-02 1.183e-02 1.287e-02 /

584.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-0.3	+1.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-1.3	+0.4	+0.7

Chebyshev(coeffs=[[1.15237,-2.22258,-0.137363,0.00915518],[5.76577,0.939097,-0.278058,-0.0261141],[0.554041,0.574011,0.042479,-0.0530149],[-0.253467,0.130283,0.0875895,0.00327608],[-0.28568,-0.0353669,0.034995,0.0154414],[-0.0858467,-0.0440314,-0.00224285,0.00220568]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.59
S298 (cal/mol*K) = -7.40
G298 (kcal/mol) = 8.80

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(236); H(25), C7H10(236); C7H9(5)+H(25)(+M)=>C7H10(236)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.152e+00 -2.223e+00 -1.374e-01 9.155e-03 / CHEB/ 5.766e+00 9.391e-01 -2.781e-01 -2.611e-02 / CHEB/ 5.540e-01 5.740e-01 4.248e-02 -5.301e-02 / CHEB/ -2.535e-01 1.303e-01 8.759e-02 3.276e-03 / CHEB/ -2.857e-01 -3.537e-02 3.499e-02 1.544e-02 / CHEB/ -8.585e-02 -4.403e-02 -2.243e-03 2.206e-03 /

585.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+0.1	+1.4	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-0.9	+0.8	+1.0

Chebyshev(coeffs=[[1.19944,-2.20864,-0.136953,0.0180578],[6.22398,1.03582,-0.251423,-0.03684],[0.419529,0.601297,0.0662792,-0.0447926],[-0.304877,0.126183,0.0908853,0.00813603],[-0.254345,-0.0498906,0.0294714,0.0149545],[-0.110014,-0.0560329,-0.00861201,0.000372738]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.49
S298 (cal/mol*K) = -4.41
G298 (kcal/mol) = 3.81

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(237); H(25), C7H10(237); C7H9(5)+H(25)(+M)=>C7H10(237)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.199e+00 -2.209e+00 -1.370e-01 1.806e-02 / CHEB/ 6.224e+00 1.036e+00 -2.514e-01 -3.684e-02 / CHEB/ 4.195e-01 6.013e-01 6.628e-02 -4.479e-02 / CHEB/ -3.049e-01 1.262e-01 9.089e-02 8.136e-03 / CHEB/ -2.543e-01 -4.989e-02 2.947e-02 1.495e-02 / CHEB/ -1.100e-01 -5.603e-02 -8.612e-03 3.727e-04 /

586.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+3.0	+3.7	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+1.7	+2.9	+3.1

Chebyshev(coeffs=[[6.34211,-2.24495,-0.0655113,-0.0301294],[3.00755,0.719722,-0.209653,0.0615841],[0.433375,0.673049,-0.0292522,-0.0489377],[-0.212968,0.300172,0.0936165,-0.026226],[-0.203945,0.0726452,0.076411,0.0155424],[-0.0825582,-0.00275245,0.0171577,0.0114894]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.71
S298 (cal/mol*K) = -12.00
G298 (kcal/mol) = -24.13

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(238); H(25), C7H10(238); C7H9(5)+H(25)(+M)=>C7H10(238)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.342e+00 -2.245e+00 -6.551e-02 -3.013e-02 / CHEB/ 3.008e+00 7.197e-01 -2.097e-01 6.158e-02 / CHEB/ 4.334e-01 6.730e-01 -2.925e-02 -4.894e-02 / CHEB/ -2.130e-01 3.002e-01 9.362e-02 -2.623e-02 / CHEB/ -2.039e-01 7.265e-02 7.641e-02 1.554e-02 / CHEB/ -8.256e-02 -2.752e-03 1.716e-02 1.149e-02 /

587.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+0.8	+1.9	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-0.3	+1.2	+1.4

Chebyshev(coeffs=[[2.4227,-2.23677,-0.124354,0.00166886],[5.33923,0.882039,-0.285867,-0.00933627],[0.452251,0.581757,0.0258534,-0.0577401],[-0.316771,0.143413,0.0880719,-8.43147e-05],[-0.254381,-0.0282019,0.0379948,0.0164282],[-0.105765,-0.0439203,-0.00179682,0.00321002]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.94
S298 (cal/mol*K) = -6.38
G298 (kcal/mol) = 5.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(239); H(25), C7H10(239); C7H9(5)+H(25)(+M)=>C7H10(239)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.423e+00 -2.237e+00 -1.244e-01 1.669e-03 / CHEB/ 5.339e+00 8.820e-01 -2.859e-01 -9.336e-03 / CHEB/ 4.523e-01 5.818e-01 2.585e-02 -5.774e-02 / CHEB/ -3.168e-01 1.434e-01 8.807e-02 -8.431e-05 / CHEB/ -2.544e-01 -2.820e-02 3.799e-02 1.643e-02 / CHEB/ -1.058e-01 -4.392e-02 -1.797e-03 3.210e-03 /

588.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	+0.7	+2.5	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-0.2	+2.1	+2.6

Chebyshev(coeffs=[[0.0330275,-2.09179,-0.258279,0.0290142],[8.95214,1.12374,-0.139705,-0.0875691],[0.280583,0.502438,0.0861316,-0.0219837],[-0.262924,0.0662815,0.0761663,0.00909504],[-0.222602,-0.0551951,0.0243183,0.0102592],[-0.0877678,-0.0396624,-0.00597429,0.00231554]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.71
S298 (cal/mol*K) = 2.39
G298 (kcal/mol) = 20.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(240); H(25), C7H10(240); C7H9(5)+H(25)(+M)=>C7H10(240)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.303e-02 -2.092e+00 -2.583e-01 2.901e-02 / CHEB/ 8.952e+00 1.124e+00 -1.397e-01 -8.757e-02 / CHEB/ 2.806e-01 5.024e-01 8.613e-02 -2.198e-02 / CHEB/ -2.629e-01 6.628e-02 7.617e-02 9.095e-03 / CHEB/ -2.226e-01 -5.520e-02 2.432e-02 1.026e-02 / CHEB/ -8.777e-02 -3.966e-02 -5.974e-03 2.316e-03 /

589.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+3.2	+3.8	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+3.3	+4.3	+4.2

Chebyshev(coeffs=[[5.94721,-0.335638,-0.270155,-0.0252978],[3.77733,1.34105,-0.00436751,-0.0255745],[0.227859,0.475224,0.0541469,0.0229973],[-0.332638,0.059095,-0.0115289,-0.0118316],[-0.245871,-0.00698,0.0151438,-0.0144316],[-0.110336,-0.0190989,0.0216859,0.00230445]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.23
S298 (cal/mol*K) = 0.09
G298 (kcal/mol) = -5.25

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(241); H(25), C7H10(241); C7H9(5)+H(25)(+M)=>C7H10(241)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.947e+00 -3.356e-01 -2.702e-01 -2.530e-02 / CHEB/ 3.777e+00 1.341e+00 -4.368e-03 -2.557e-02 / CHEB/ 2.279e-01 4.752e-01 5.415e-02 2.300e-02 / CHEB/ -3.326e-01 5.910e-02 -1.153e-02 -1.183e-02 / CHEB/ -2.459e-01 -6.980e-03 1.514e-02 -1.443e-02 / CHEB/ -1.103e-01 -1.910e-02 2.169e-02 2.304e-03 /

590.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+5.0	+6.6	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+4.0	+6.1	+6.6

Chebyshev(coeffs=[[4.58348,-2.13035,-0.242229,0.0313857],[8.45322,1.0947,-0.161469,-0.0846531],[0.241104,0.512841,0.0762826,-0.0248594],[-0.280306,0.0797399,0.0772023,0.00808343],[-0.226808,-0.050719,0.0270252,0.0102511],[-0.0924578,-0.0406722,-0.00500282,0.0021163]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.28
S298 (cal/mol*K) = 9.18
G298 (kcal/mol) = -1.46

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(242); H(25), C7H10(242); C7H9(5)+H(25)(+M)=>C7H10(242)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.583e+00 -2.130e+00 -2.422e-01 3.139e-02 / CHEB/ 8.453e+00 1.095e+00 -1.615e-01 -8.465e-02 / CHEB/ 2.411e-01 5.128e-01 7.628e-02 -2.486e-02 / CHEB/ -2.803e-01 7.974e-02 7.720e-02 8.083e-03 / CHEB/ -2.268e-01 -5.072e-02 2.703e-02 1.025e-02 / CHEB/ -9.246e-02 -4.067e-02 -5.003e-03 2.116e-03 /

591.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+5.0	+6.8	+7.1
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+4.1	+6.3	+6.8

Chebyshev(coeffs=[[4.58469,-2.11027,-0.235329,0.034329],[8.62679,1.15899,-0.137135,-0.0820984],[0.266922,0.537329,0.0926939,-0.0198655],[-0.271456,0.0761066,0.0794649,0.0110626],[-0.229753,-0.062662,0.021138,0.00960655],[-0.0983073,-0.0503704,-0.010475,0.000184553]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.70
S298 (cal/mol*K) = 9.56
G298 (kcal/mol) = -1.15

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(243); H(25), C7H10(243); C7H9(5)+H(25)(+M)=>C7H10(243)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.585e+00 -2.110e+00 -2.353e-01 3.433e-02 / CHEB/ 8.627e+00 1.159e+00 -1.371e-01 -8.210e-02 / CHEB/ 2.669e-01 5.373e-01 9.269e-02 -1.987e-02 / CHEB/ -2.715e-01 7.611e-02 7.946e-02 1.106e-02 / CHEB/ -2.298e-01 -6.266e-02 2.114e-02 9.607e-03 / CHEB/ -9.831e-02 -5.037e-02 -1.048e-02 1.846e-04 /

592.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+4.1	+5.4	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+3.7	+5.6	+5.8

Chebyshev(coeffs=[[4.5113,-1.14687,-0.391196,0.0371314],[6.97251,1.65516,-0.111144,-0.116503],[0.204743,0.528655,0.0801768,-0.00779331],[-0.247691,0.0748755,0.0465096,0.014068],[-0.262665,-0.00370142,0.0253239,0.0032961],[-0.150959,-0.0114452,0.011973,-0.00058595]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.82
S298 (cal/mol*K) = 7.26
G298 (kcal/mol) = -3.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(244); H(25), C7H10(244); C7H9(5)+H(25)(+M)=>C7H10(244)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.511e+00 -1.147e+00 -3.912e-01 3.713e-02 / CHEB/ 6.973e+00 1.655e+00 -1.111e-01 -1.165e-01 / CHEB/ 2.047e-01 5.287e-01 8.018e-02 -7.793e-03 / CHEB/ -2.477e-01 7.488e-02 4.651e-02 1.407e-02 / CHEB/ -2.627e-01 -3.701e-03 2.532e-02 3.296e-03 / CHEB/ -1.510e-01 -1.145e-02 1.197e-02 -5.860e-04 /

593.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	+0.8	+2.1	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.3	+1.5	+1.8

Chebyshev(coeffs=[[1.6469,-2.21334,-0.161279,0.0206114],[6.54604,0.993079,-0.255705,-0.0490943],[0.385133,0.555621,0.055049,-0.0438335],[-0.302051,0.118454,0.083659,0.00548129],[-0.244966,-0.0389238,0.0330248,0.0132051],[-0.100048,-0.0436733,-0.00267264,0.00185584]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.87
S298 (cal/mol*K) = -11.17
G298 (kcal/mol) = 7.20

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(245); H(25), C7H10(245); C7H9(5)+H(25)(+M)=>C7H10(245)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.647e+00 -2.213e+00 -1.613e-01 2.061e-02 / CHEB/ 6.546e+00 9.931e-01 -2.557e-01 -4.909e-02 / CHEB/ 3.851e-01 5.556e-01 5.505e-02 -4.383e-02 / CHEB/ -3.021e-01 1.185e-01 8.366e-02 5.481e-03 / CHEB/ -2.450e-01 -3.892e-02 3.302e-02 1.321e-02 / CHEB/ -1.000e-01 -4.367e-02 -2.673e-03 1.856e-03 /

594.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-4.1	-2.6	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-5.0	-3.0	-2.7

Chebyshev(coeffs=[[-5.08854,-2.01472,-0.308092,0.0229778],[9.20726,1.12312,-0.0768744,-0.0877787],[-0.0699918,0.470547,0.0904116,-0.0176629],[-0.329321,0.0492198,0.0704132,0.00929005],[-0.229012,-0.0564579,0.0204183,0.0105199],[-0.093025,-0.0364586,-0.00718673,0.00280362]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.83
S298 (cal/mol*K) = -16.90
G298 (kcal/mol) = -2.79

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(246); H(25), C7H10(246); C7H9(5)+H(25)(+M)=>C7H10(246)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.089e+00 -2.015e+00 -3.081e-01 2.298e-02 / CHEB/ 9.207e+00 1.123e+00 -7.687e-02 -8.778e-02 / CHEB/ -6.999e-02 4.705e-01 9.041e-02 -1.766e-02 / CHEB/ -3.293e-01 4.922e-02 7.041e-02 9.290e-03 / CHEB/ -2.290e-01 -5.646e-02 2.042e-02 1.052e-02 / CHEB/ -9.302e-02 -3.646e-02 -7.187e-03 2.804e-03 /

617.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.0	+7.0	+6.5	+6.0
log₁₀(k(10 bar)/[mole,m,s])	+7.0	+7.2	+7.0	+6.7

Chebyshev(coeffs=[[12.7595,0.377667,-0.0737305,0.00303175],[-0.357282,0.622428,-0.0983151,-0.00622899],[-0.334029,0.36114,-0.0211721,-0.016175],[-0.175711,0.137892,0.0213317,-0.0117332],[-0.0624358,0.0206421,0.0226017,-0.00150755],[-0.0104874,-0.0131123,0.00775866,0.00412027]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -76.00
S298 (cal/mol*K) = -23.37
G298 (kcal/mol) = -69.04

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(65); H(25), C7H10(65); C7H9(5)+H(25)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.276e+01 3.777e-01 -7.373e-02 3.032e-03 / CHEB/ -3.573e-01 6.224e-01 -9.832e-02 -6.229e-03 / CHEB/ -3.340e-01 3.611e-01 -2.117e-02 -1.618e-02 / CHEB/ -1.757e-01 1.379e-01 2.133e-02 -1.173e-02 / CHEB/ -6.244e-02 2.064e-02 2.260e-02 -1.508e-03 / CHEB/ -1.049e-02 -1.311e-02 7.759e-03 4.120e-03 /

618.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+0.8	+2.6	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-5.2	+0.4	+2.5	+3.3

Chebyshev(coeffs=[[2.59484,-1.2155,-0.125234,0.0107038],[6.17515,0.94952,-0.022908,-0.036628],[0.689229,0.278614,0.0790139,-0.0138315],[-0.00784389,-0.0119995,0.0386217,0.0145627],[-0.075109,-0.0546948,-0.00533547,0.0107863],[-0.056288,-0.0298144,-0.0115499,-0.00122216]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.60
S298 (cal/mol*K) = 0.24
G298 (kcal/mol) = 9.53

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(247); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(247)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.595e+00 -1.216e+00 -1.252e-01 1.070e-02 / CHEB/ 6.175e+00 9.495e-01 -2.291e-02 -3.663e-02 / CHEB/ 6.892e-01 2.786e-01 7.901e-02 -1.383e-02 / CHEB/ -7.844e-03 -1.200e-02 3.862e-02 1.456e-02 / CHEB/ -7.511e-02 -5.469e-02 -5.335e-03 1.079e-02 / CHEB/ -5.629e-02 -2.981e-02 -1.155e-02 -1.222e-03 /

619.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-2.9	-0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-3.1	-0.0	+1.4

Chebyshev(coeffs=[[-4.34831,-0.777839,-0.200106,-0.0117525],[11.3563,0.675869,0.124651,-0.0220166],[0.425957,0.146453,0.0599429,0.0152871],[0.031662,-0.0350685,0.0047049,0.00867506],[-0.0368257,-0.0438338,-0.0116007,-0.00116857],[-0.0224789,-0.0192343,-0.00721465,-0.00277969]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 7.24
G298 (kcal/mol) = 30.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(248); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(248)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.348e+00 -7.778e-01 -2.001e-01 -1.175e-02 / CHEB/ 1.136e+01 6.759e-01 1.247e-01 -2.202e-02 / CHEB/ 4.260e-01 1.465e-01 5.994e-02 1.529e-02 / CHEB/ 3.166e-02 -3.507e-02 4.705e-03 8.675e-03 / CHEB/ -3.683e-02 -4.383e-02 -1.160e-02 -1.169e-03 / CHEB/ -2.248e-02 -1.923e-02 -7.215e-03 -2.780e-03 /

620.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-2.9	-0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-3.1	-0.0	+1.4

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 7.24
G298 (kcal/mol) = 30.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(249); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(249)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.348e+00 -7.778e-01 -2.001e-01 -1.175e-02 / CHEB/ 1.136e+01 6.759e-01 1.247e-01 -2.202e-02 / CHEB/ 4.260e-01 1.465e-01 5.994e-02 1.529e-02 / CHEB/ 3.166e-02 -3.507e-02 4.705e-03 8.675e-03 / CHEB/ -3.683e-02 -4.383e-02 -1.160e-02 -1.169e-03 / CHEB/ -2.248e-02 -1.923e-02 -7.215e-03 -2.780e-03 /

621.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-3.3	-0.9	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-3.5	-0.9	+0.3

Chebyshev(coeffs=[[-3.39778,-0.941356,-0.189963,0.00764113],[9.26235,0.790954,0.0892493,-0.0462208],[0.473889,0.190675,0.071342,0.0117748],[0.017109,-0.0287073,0.0134737,0.0139966],[-0.0485289,-0.0494949,-0.0108394,0.00091294],[-0.0249224,-0.0247604,-0.00830436,-0.00334954]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.66
S298 (cal/mol*K) = -13.46
G298 (kcal/mol) = 4.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(250); H(25), C7H10(250); C7H9(5)+H(25)(+M)=>C7H10(250)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.398e+00 -9.414e-01 -1.900e-01 7.641e-03 / CHEB/ 9.262e+00 7.910e-01 8.925e-02 -4.622e-02 / CHEB/ 4.739e-01 1.907e-01 7.134e-02 1.177e-02 / CHEB/ 1.711e-02 -2.871e-02 1.347e-02 1.400e-02 / CHEB/ -4.853e-02 -4.949e-02 -1.084e-02 9.129e-04 / CHEB/ -2.492e-02 -2.476e-02 -8.304e-03 -3.350e-03 /

622.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+3.4	+5.7	+6.8
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+3.2	+5.6	+6.8

Chebyshev(coeffs=[[3.86866,-1.01459,-0.175807,0.0136667],[8.37668,0.850216,0.0636943,-0.0514624],[0.595763,0.20594,0.0776942,0.00740058],[0.0126704,-0.0281033,0.0183553,0.0163473],[-0.0981156,-0.0501092,-0.0111429,0.00252155],[0.00275763,-0.0270432,-0.00902541,-0.00365058]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.02
S298 (cal/mol*K) = -0.98
G298 (kcal/mol) = 1.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(251); H(25), C7H10(251); C7H9(5)+H(25)(+M)=>C7H10(251)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.869e+00 -1.015e+00 -1.758e-01 1.367e-02 / CHEB/ 8.377e+00 8.502e-01 6.369e-02 -5.146e-02 / CHEB/ 5.958e-01 2.059e-01 7.769e-02 7.401e-03 / CHEB/ 1.267e-02 -2.810e-02 1.836e-02 1.635e-02 / CHEB/ -9.812e-02 -5.011e-02 -1.114e-02 2.522e-03 / CHEB/ 2.758e-03 -2.704e-02 -9.025e-03 -3.651e-03 /

623.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.4	+5.7	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+3.1	+5.2	+5.9	+5.9

Chebyshev(coeffs=[[9.91814,-0.725796,-0.266717,0.00211934],[1.4689,1.25695,0.00312703,-0.0434766],[0.163296,0.392525,0.0307207,0.0106934],[-0.138377,0.077821,-0.0141432,0.00932947],[-0.131434,0.0211858,-0.00925951,-0.00459034],[-0.0914652,0.0130695,0.00988231,-0.00635163]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.51
S298 (cal/mol*K) = -11.74
G298 (kcal/mol) = -48.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(252); H(25), C7H10(252); C7H9(5)+H(25)(+M)=>C7H10(252)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.918e+00 -7.258e-01 -2.667e-01 2.119e-03 / CHEB/ 1.469e+00 1.257e+00 3.127e-03 -4.348e-02 / CHEB/ 1.633e-01 3.925e-01 3.072e-02 1.069e-02 / CHEB/ -1.384e-01 7.782e-02 -1.414e-02 9.329e-03 / CHEB/ -1.314e-01 2.119e-02 -9.260e-03 -4.590e-03 / CHEB/ -9.147e-02 1.307e-02 9.882e-03 -6.352e-03 /

624.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-5.3	-2.6	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-5.4	-2.6	-1.4

Chebyshev(coeffs=[[-6.8924,-0.681673,-0.197693,-0.021435],[11.504,0.603674,0.135406,-0.00829964],[0.141896,0.121039,0.0528334,0.0151044],[-0.0364966,-0.0366521,0.000704833,0.00615817],[-0.0561914,-0.0393254,-0.0117338,-0.00178695],[-0.0304691,-0.0159406,-0.00655687,-0.00252134]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.18
S298 (cal/mol*K) = -15.86
G298 (kcal/mol) = 4.91

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(253); H(25), C7H10(253); C7H9(5)+H(25)(+M)=>C7H10(253)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.892e+00 -6.817e-01 -1.977e-01 -2.144e-02 / CHEB/ 1.150e+01 6.037e-01 1.354e-01 -8.300e-03 / CHEB/ 1.419e-01 1.210e-01 5.283e-02 1.510e-02 / CHEB/ -3.650e-02 -3.665e-02 7.048e-04 6.158e-03 / CHEB/ -5.619e-02 -3.933e-02 -1.173e-02 -1.787e-03 / CHEB/ -3.047e-02 -1.594e-02 -6.557e-03 -2.521e-03 /

625.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+4.4	+5.0	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+3.9	+4.8	+5.0

Chebyshev(coeffs=[[8.38629,-1.39739,-0.0849632,0.00186453],[2.54463,0.900411,-0.0721324,-0.0176406],[0.399367,0.378242,0.0389337,-0.0194057],[-0.12976,0.0525431,0.0480805,0.00181698],[-0.122193,-0.0390391,0.0109318,0.0110344],[-0.0533137,-0.0293891,-0.00837822,0.00357419]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.13
S298 (cal/mol*K) = -12.46
G298 (kcal/mol) = -3.42

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(254); H(25), C7H10(254); C7H9(5)+H(25)(+M)=>C7H10(254)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.386e+00 -1.397e+00 -8.496e-02 1.865e-03 / CHEB/ 2.545e+00 9.004e-01 -7.213e-02 -1.764e-02 / CHEB/ 3.994e-01 3.782e-01 3.893e-02 -1.941e-02 / CHEB/ -1.298e-01 5.254e-02 4.808e-02 1.817e-03 / CHEB/ -1.222e-01 -3.904e-02 1.093e-02 1.103e-02 / CHEB/ -5.331e-02 -2.939e-02 -8.378e-03 3.574e-03 /

674.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.7	+8.9	+9.2	+9.2
log₁₀(k(10 bar)/[mole,m,s])	+8.6	+9.6	+10.0	+10.1

Chebyshev(coeffs=[[7.72212,1.68268,-0.0780586,-0.0376681],[1.60221,-0.110745,0.0373046,0.0367675],[-0.0811608,0.0335198,-0.0511136,0.0146637],[-0.0442111,0.096325,-0.0482204,-0.0126518],[-0.0641521,0.0706826,0.0100075,-0.0200199],[-0.0268413,0.00745418,0.0281563,-0.00822201]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.11
S298 (cal/mol*K) = -10.44
G298 (kcal/mol) = 8.22

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(57); C7H10(18)(+M)=>C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.722e+00 1.683e+00 -7.806e-02 -3.767e-02 / CHEB/ 1.602e+00 -1.107e-01 3.730e-02 3.677e-02 / CHEB/ -8.116e-02 3.352e-02 -5.111e-02 1.466e-02 / CHEB/ -4.421e-02 9.632e-02 -4.822e-02 -1.265e-02 / CHEB/ -6.415e-02 7.068e-02 1.001e-02 -2.002e-02 / CHEB/ -2.684e-02 7.454e-03 2.816e-02 -8.222e-03 /

675.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	+2.6	+4.6	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-4.8	+3.2	+5.4	+6.2

Chebyshev(coeffs=[[-5.03076,0.710306,-0.445534,-0.0658024],[10.8433,0.912203,0.203591,-0.0235275],[-0.348457,0.11614,0.0598775,0.00826825],[-0.149415,-0.0524096,0.00159336,0.00696265],[-0.0864109,-0.0101925,0.00459435,0.00758383],[-0.0374622,0.0184357,0.00711481,0.00387515]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.59
S298 (cal/mol*K) = -0.16
G298 (kcal/mol) = 33.64

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(58); C7H10(18)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.031e+00 7.103e-01 -4.455e-01 -6.580e-02 / CHEB/ 1.084e+01 9.122e-01 2.036e-01 -2.353e-02 / CHEB/ -3.485e-01 1.161e-01 5.988e-02 8.268e-03 / CHEB/ -1.494e-01 -5.241e-02 1.593e-03 6.963e-03 / CHEB/ -8.641e-02 -1.019e-02 4.594e-03 7.584e-03 / CHEB/ -3.746e-02 1.844e-02 7.115e-03 3.875e-03 /

676.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-1.9	+1.0	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-1.1	+1.9	+3.2

Chebyshev(coeffs=[[-11.4342,1.56584,-0.156611,-0.00468625],[14.1348,0.261099,0.0402072,-0.0441206],[-0.256076,0.0880464,0.0524918,0.0124717],[-0.0922849,0.00322679,0.0157074,0.0146728],[-0.0689143,0.0011785,0.00417245,0.00587038],[-0.0369692,0.00732412,0.00186072,-0.000318709]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.72
S298 (cal/mol*K) = -4.20
G298 (kcal/mol) = 10.97

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(59); C7H10(18)(+M)=>C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.143e+01 1.566e+00 -1.566e-01 -4.686e-03 / CHEB/ 1.413e+01 2.611e-01 4.021e-02 -4.412e-02 / CHEB/ -2.561e-01 8.805e-02 5.249e-02 1.247e-02 / CHEB/ -9.228e-02 3.227e-03 1.571e-02 1.467e-02 / CHEB/ -6.891e-02 1.178e-03 4.172e-03 5.870e-03 / CHEB/ -3.697e-02 7.324e-03 1.861e-03 -3.187e-04 /

677.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+4.1	+6.3	+7.3
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+4.8	+7.2	+8.2

Chebyshev(coeffs=[[-2.74771,1.48979,-0.0594984,0.0146696],[10.1376,0.262253,-0.0916149,-0.0403531],[-0.0534105,0.131767,0.0508909,-0.0196941],[-0.033025,0.0169412,0.0387408,0.0120623],[-0.049686,-0.00222578,0.0120732,0.0150305],[-0.0303034,0.00293171,-0.00099046,0.00340286]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.30
S298 (cal/mol*K) = 17.00
G298 (kcal/mol) = 24.23

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(60); C7H10(18)(+M)=>H(25)+C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.748e+00 1.490e+00 -5.950e-02 1.467e-02 / CHEB/ 1.014e+01 2.623e-01 -9.161e-02 -4.035e-02 / CHEB/ -5.341e-02 1.318e-01 5.089e-02 -1.969e-02 / CHEB/ -3.302e-02 1.694e-02 3.874e-02 1.206e-02 / CHEB/ -4.969e-02 -2.226e-03 1.207e-02 1.503e-02 / CHEB/ -3.030e-02 2.932e-03 -9.905e-04 3.403e-03 /

678.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-2.6	+2.2	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-1.7	+3.2	+5.5

Chebyshev(coeffs=[[-16.7638,1.73103,-0.150089,-0.0523541],[21.5124,0.181728,0.0901173,0.0203046],[-0.15054,0.0590882,0.0370071,0.016614],[-0.0637952,-0.0012154,0.00368106,0.00556819],[-0.0525676,0.00296579,0.00206209,0.00127534],[-0.0242594,0.00353283,0.0015248,0.000124616]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.28
S298 (cal/mol*K) = 24.20
G298 (kcal/mol) = 59.06

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(61); C7H10(18)(+M)=>H(25)+C7H9(61)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.676e+01 1.731e+00 -1.501e-01 -5.235e-02 / CHEB/ 2.151e+01 1.817e-01 9.012e-02 2.030e-02 / CHEB/ -1.505e-01 5.909e-02 3.701e-02 1.661e-02 / CHEB/ -6.380e-02 -1.215e-03 3.681e-03 5.568e-03 / CHEB/ -5.257e-02 2.966e-03 2.062e-03 1.275e-03 / CHEB/ -2.426e-02 3.533e-03 1.525e-03 1.246e-04 /

679.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+6.0	+7.6	+8.2
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+6.7	+8.5	+9.2

Chebyshev(coeffs=[[1.13673,1.38801,0.0473259,-0.0285734],[7.14368,0.362832,-0.214621,0.0339015],[0.0429417,0.012884,0.0428499,-0.0299894],[-0.0991253,0.129145,0.0283727,-0.0223989],[-0.0191607,-0.0323542,0.0304813,0.0231705],[-0.0334633,0.00366887,0.00785559,0.00443095]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.50
S298 (cal/mol*K) = -7.23
G298 (kcal/mol) = -13.35

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(63); C7H10(18)(+M)=>C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.137e+00 1.388e+00 4.733e-02 -2.857e-02 / CHEB/ 7.144e+00 3.628e-01 -2.146e-01 3.390e-02 / CHEB/ 4.294e-02 1.288e-02 4.285e-02 -2.999e-02 / CHEB/ -9.913e-02 1.291e-01 2.837e-02 -2.240e-02 / CHEB/ -1.916e-02 -3.235e-02 3.048e-02 2.317e-02 / CHEB/ -3.346e-02 3.669e-03 7.856e-03 4.431e-03 /

680.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	+0.8	+4.3	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-9.5	+1.7	+5.2	+6.8

Chebyshev(coeffs=[[-9.57201,1.60337,-0.163679,-0.0181822],[15.6318,0.256987,0.0646944,-0.0300617],[-0.128076,0.0793262,0.0512024,0.0182492],[-0.0584201,0.000459845,0.0114743,0.0130014],[-0.0581774,0.00161428,0.00287726,0.00383167],[-0.03295,0.0070905,0.00215865,-0.000399842]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.00
S298 (cal/mol*K) = 1.18
G298 (kcal/mol) = 28.65

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(64); C7H10(18)(+M)=>C7H10(64)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.572e+00 1.603e+00 -1.637e-01 -1.818e-02 / CHEB/ 1.563e+01 2.570e-01 6.469e-02 -3.006e-02 / CHEB/ -1.281e-01 7.933e-02 5.120e-02 1.825e-02 / CHEB/ -5.842e-02 4.598e-04 1.147e-02 1.300e-02 / CHEB/ -5.818e-02 1.614e-03 2.877e-03 3.832e-03 / CHEB/ -3.295e-02 7.091e-03 2.159e-03 -3.998e-04 /

681.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	+1.4	+4.4	+5.7
log₁₀(k(10 bar)/[mole,m,s])	-7.7	+2.2	+5.3	+6.6

Chebyshev(coeffs=[[-7.84649,1.55698,-0.148646,0.000523514],[13.7957,0.271255,0.0301009,-0.0491762],[-0.156237,0.0921175,0.0556936,0.0114652],[-0.06753,0.0032316,0.0174784,0.0158483],[-0.0649561,0.000387866,0.00408235,0.0065151],[-0.0343508,0.00692832,0.00142154,-0.000414171]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.90
S298 (cal/mol*K) = -1.61
G298 (kcal/mol) = 8.38

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(65); C7H10(18)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.846e+00 1.557e+00 -1.486e-01 5.235e-04 / CHEB/ 1.380e+01 2.713e-01 3.010e-02 -4.918e-02 / CHEB/ -1.562e-01 9.212e-02 5.569e-02 1.147e-02 / CHEB/ -6.753e-02 3.232e-03 1.748e-02 1.585e-02 / CHEB/ -6.496e-02 3.879e-04 4.082e-03 6.515e-03 / CHEB/ -3.435e-02 6.928e-03 1.422e-03 -4.142e-04 /

682.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-3.4	+1.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-2.5	+2.0	+4.1

Chebyshev(coeffs=[[-16.8924,1.71262,-0.156202,-0.0507442],[20.4101,0.190738,0.0899613,0.0157024],[-0.217133,0.061079,0.0383195,0.017097],[-0.078669,-0.000597111,0.00455843,0.0063154],[-0.0531248,0.00342608,0.00245914,0.0015893],[-0.0295114,0.00469587,0.00208495,0.00025321]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.80
S298 (cal/mol*K) = 0.08
G298 (kcal/mol) = 19.78

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(66); C7H10(18)(+M)=>C7H10(66)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.689e+01 1.713e+00 -1.562e-01 -5.074e-02 / CHEB/ 2.041e+01 1.907e-01 8.996e-02 1.570e-02 / CHEB/ -2.171e-01 6.108e-02 3.832e-02 1.710e-02 / CHEB/ -7.867e-02 -5.971e-04 4.558e-03 6.315e-03 / CHEB/ -5.312e-02 3.426e-03 2.459e-03 1.589e-03 / CHEB/ -2.951e-02 4.696e-03 2.085e-03 2.532e-04 /

683.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.2	-8.5	-1.5	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-29.3	-7.5	-0.5	+2.9

Chebyshev(coeffs=[[-28.6653,1.82841,-0.105971,-0.0470115],[30.9071,0.121896,0.0719266,0.0286505],[-0.216991,0.0465407,0.0290872,0.0132165],[-0.0619167,-0.00762441,-0.00241591,0.00111922],[-0.0304539,-0.00144924,-0.000967864,-0.00046658],[-0.00348062,-0.000924253,-0.000932655,-0.000750523]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(67); C7H10(18)(+M)=>C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.867e+01 1.828e+00 -1.060e-01 -4.701e-02 / CHEB/ 3.091e+01 1.219e-01 7.193e-02 2.865e-02 / CHEB/ -2.170e-01 4.654e-02 2.909e-02 1.322e-02 / CHEB/ -6.192e-02 -7.624e-03 -2.416e-03 1.119e-03 / CHEB/ -3.045e-02 -1.449e-03 -9.679e-04 -4.666e-04 / CHEB/ -3.481e-03 -9.243e-04 -9.327e-04 -7.505e-04 /

684.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	+0.8	+3.8	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-8.5	+1.6	+4.7	+6.0

Chebyshev(coeffs=[[-8.56546,1.56041,-0.15077,-0.00101003],[13.944,0.269653,0.0336459,-0.0477649],[-0.16908,0.0910389,0.0551191,0.0120599],[-0.070534,0.00306395,0.0169138,0.0156088],[-0.0621875,0.000475629,0.00405009,0.00630846],[-0.0360271,0.00702627,0.00149093,-0.000437922]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.80
S298 (cal/mol*K) = 0.08
G298 (kcal/mol) = 19.78

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(68); C7H10(18)(+M)=>C7H10(68)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.565e+00 1.560e+00 -1.508e-01 -1.010e-03 / CHEB/ 1.394e+01 2.697e-01 3.365e-02 -4.776e-02 / CHEB/ -1.691e-01 9.104e-02 5.512e-02 1.206e-02 / CHEB/ -7.053e-02 3.064e-03 1.691e-02 1.561e-02 / CHEB/ -6.219e-02 4.756e-04 4.050e-03 6.308e-03 / CHEB/ -3.603e-02 7.026e-03 1.491e-03 -4.379e-04 /

685.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+4.5	+6.0	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+5.2	+6.8	+7.5

Chebyshev(coeffs=[[-0.351334,1.52567,-0.00021406,-0.0275927],[7.04531,0.117535,-0.130985,0.0361415],[-0.0761464,0.169931,-0.0105634,-0.0352802],[-0.0390385,0.0479432,0.0448199,-0.0149945],[-0.0468537,0.00189115,0.0315664,0.0128328],[-0.0259509,-0.00248778,0.00322239,0.0105406]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(69); C7H10(18)(+M)=>C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.513e-01 1.526e+00 -2.141e-04 -2.759e-02 / CHEB/ 7.045e+00 1.175e-01 -1.310e-01 3.614e-02 / CHEB/ -7.615e-02 1.699e-01 -1.056e-02 -3.528e-02 / CHEB/ -3.904e-02 4.794e-02 4.482e-02 -1.499e-02 / CHEB/ -4.685e-02 1.891e-03 3.157e-02 1.283e-02 / CHEB/ -2.595e-02 -2.488e-03 3.222e-03 1.054e-02 /

686.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+1.9	+4.5	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+2.7	+5.4	+6.5

Chebyshev(coeffs=[[-6.03077,1.51219,-0.109379,0.0165364],[11.8185,0.277862,-0.0297637,-0.0574841],[-0.121627,0.110793,0.0579231,-0.0025716],[-0.0548906,0.00878818,0.0274132,0.0164085],[-0.0588026,-0.00129656,0.00697561,0.0109392],[-0.0331464,0.00534624,7.08265e-05,0.000728015]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.00
S298 (cal/mol*K) = 1.18
G298 (kcal/mol) = 28.65

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(70); C7H10(18)(+M)=>C7H10(70)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.031e+00 1.512e+00 -1.094e-01 1.654e-02 / CHEB/ 1.182e+01 2.779e-01 -2.976e-02 -5.748e-02 / CHEB/ -1.216e-01 1.108e-01 5.792e-02 -2.572e-03 / CHEB/ -5.489e-02 8.788e-03 2.741e-02 1.641e-02 / CHEB/ -5.880e-02 -1.297e-03 6.976e-03 1.094e-02 / CHEB/ -3.315e-02 5.346e-03 7.083e-05 7.280e-04 /

687.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	+1.2	+3.0	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+1.9	+3.8	+4.6

Chebyshev(coeffs=[[-4.33507,1.4933,-0.0125177,-0.00775152],[8.17446,0.190937,-0.135238,0.00584843],[-0.10032,0.154894,0.0183354,-0.0353373],[-0.045705,0.0332549,0.0462264,-0.00288018],[-0.0514094,-2.42042e-05,0.0230478,0.0154681],[-0.0287936,-2.85885e-05,0.000291721,0.00789361]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.24
S298 (cal/mol*K) = -6.32
G298 (kcal/mol) = 9.12

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(71); C7H10(18)(+M)=>C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.335e+00 1.493e+00 -1.252e-02 -7.752e-03 / CHEB/ 8.174e+00 1.909e-01 -1.352e-01 5.848e-03 / CHEB/ -1.003e-01 1.549e-01 1.834e-02 -3.534e-02 / CHEB/ -4.570e-02 3.325e-02 4.623e-02 -2.880e-03 / CHEB/ -5.141e-02 -2.420e-05 2.305e-02 1.547e-02 / CHEB/ -2.879e-02 -2.859e-05 2.917e-04 7.894e-03 /

688.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.1	-6.0	+0.6	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-26.2	-5.1	+1.6	+4.7

Chebyshev(coeffs=[[-25.7939,1.82723,-0.106684,-0.0473086],[30.1098,0.120968,0.0713052,0.0283291],[-0.431648,0.0469538,0.0292798,0.0132413],[-0.126145,-0.00706518,-0.00206431,0.00127952],[-0.053097,-0.00105302,-0.00070049,-0.000326436],[-0.0122595,-0.000749675,-0.000809079,-0.00068001]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 100.32
S298 (cal/mol*K) = 41.50
G298 (kcal/mol) = 87.96

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C5H6(62); C7H10(18), C2H4(72); C7H10(18)(+M)=>C5H6(62)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.579e+01 1.827e+00 -1.067e-01 -4.731e-02 / CHEB/ 3.011e+01 1.210e-01 7.131e-02 2.833e-02 / CHEB/ -4.316e-01 4.695e-02 2.928e-02 1.324e-02 / CHEB/ -1.261e-01 -7.065e-03 -2.064e-03 1.280e-03 / CHEB/ -5.310e-02 -1.053e-03 -7.005e-04 -3.264e-04 / CHEB/ -1.226e-02 -7.497e-04 -8.091e-04 -6.800e-04 /

689.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.5	-9.2	-1.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-33.6	-8.2	+0.0	+4.1

Chebyshev(coeffs=[[-32.6693,1.85996,-0.0884785,-0.0411507],[36.0562,0.104431,0.0637245,0.0274637],[-0.229364,0.0371747,0.0237363,0.0112696],[-0.0522153,-0.0108421,-0.00518188,-0.000822301],[-0.0417062,-0.00226421,-0.0016219,-0.000918895],[0.00452962,-0.000492931,-0.000630028,-0.000592593]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 118.75
S298 (cal/mol*K) = 45.40
G298 (kcal/mol) = 105.22

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C4H6(74); C7H10(18), C3H4(73); C7H10(18)(+M)=>C4H6(74)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.267e+01 1.860e+00 -8.848e-02 -4.115e-02 / CHEB/ 3.606e+01 1.044e-01 6.372e-02 2.746e-02 / CHEB/ -2.294e-01 3.717e-02 2.374e-02 1.127e-02 / CHEB/ -5.222e-02 -1.084e-02 -5.182e-03 -8.223e-04 / CHEB/ -4.171e-02 -2.264e-03 -1.622e-03 -9.189e-04 / CHEB/ 4.530e-03 -4.929e-04 -6.300e-04 -5.926e-04 /

690.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-0.2	+2.4	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-8.4	+0.5	+3.2	+4.4

Chebyshev(coeffs=[[-8.61348,1.16254,-0.300495,-0.0296046],[12.4125,0.601729,0.146492,-0.0281075],[-0.233758,0.141956,0.0786599,0.0173395],[-0.0648992,-0.00887169,0.0164519,0.0149703],[-0.0403958,-0.0035092,0.00437115,0.00710388],[-0.0106056,0.0141913,0.00472298,0.00122892]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.83
S298 (cal/mol*K) = 2.05
G298 (kcal/mol) = 38.22

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(75); C7H10(18)(+M)=>C7H10(75)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.613e+00 1.163e+00 -3.005e-01 -2.960e-02 / CHEB/ 1.241e+01 6.017e-01 1.465e-01 -2.811e-02 / CHEB/ -2.338e-01 1.420e-01 7.866e-02 1.734e-02 / CHEB/ -6.490e-02 -8.872e-03 1.645e-02 1.497e-02 / CHEB/ -4.040e-02 -3.509e-03 4.371e-03 7.104e-03 / CHEB/ -1.061e-02 1.419e-02 4.723e-03 1.229e-03 /

691.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	+2.4	+4.5	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+3.2	+5.4	+6.3

Chebyshev(coeffs=[[-4.4457,1.48126,-0.0673233,0.0185759],[10.1163,0.253755,-0.0855493,-0.0440475],[-0.213457,0.125238,0.045442,-0.0185485],[-0.0753206,0.0181634,0.035702,0.0100832],[-0.0614159,-0.000361618,0.0126467,0.0136856],[-0.0331391,0.0035334,-0.000172408,0.00344644]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.33
S298 (cal/mol*K) = -4.33
G298 (kcal/mol) = 16.62

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(76); C7H10(18)(+M)=>C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.446e+00 1.481e+00 -6.732e-02 1.858e-02 / CHEB/ 1.012e+01 2.538e-01 -8.555e-02 -4.405e-02 / CHEB/ -2.135e-01 1.252e-01 4.544e-02 -1.855e-02 / CHEB/ -7.532e-02 1.816e-02 3.570e-02 1.008e-02 / CHEB/ -6.142e-02 -3.616e-04 1.265e-02 1.369e-02 / CHEB/ -3.314e-02 3.533e-03 -1.724e-04 3.446e-03 /

692.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	+0.4	+2.9	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-7.2	+1.2	+3.7	+4.8

Chebyshev(coeffs=[[-7.41317,1.50551,-0.109344,0.0178003],[11.6006,0.26993,-0.0330026,-0.0570705],[-0.202413,0.110332,0.0543935,-0.00436654],[-0.0742236,0.0106573,0.0274389,0.0150293],[-0.0626265,-0.000186562,0.0079606,0.0108937],[-0.0344343,0.00556868,0.000251355,0.00102463]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.68
S298 (cal/mol*K) = -12.45
G298 (kcal/mol) = -2.97

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(77); C7H10(18)(+M)=>C7H10(77)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.413e+00 1.506e+00 -1.093e-01 1.780e-02 / CHEB/ 1.160e+01 2.699e-01 -3.300e-02 -5.707e-02 / CHEB/ -2.024e-01 1.103e-01 5.439e-02 -4.367e-03 / CHEB/ -7.422e-02 1.066e-02 2.744e-02 1.503e-02 / CHEB/ -6.263e-02 -1.866e-04 7.961e-03 1.089e-02 / CHEB/ -3.443e-02 5.569e-03 2.514e-04 1.025e-03 /

693.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+5.3	+6.5	+6.8
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+6.0	+7.3	+7.7

Chebyshev(coeffs=[[1.42396,1.57474,-0.0063052,-0.0412105],[5.6152,0.016391,-0.0963142,0.0530485],[-0.16021,0.166225,-0.0467195,-0.0202866],[-0.0665629,0.0703593,0.0289847,-0.0282356],[-0.0536148,0.00966075,0.0396464,0.00308806],[-0.0251029,-0.00530869,0.0106735,0.0116307]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.78
S298 (cal/mol*K) = -16.77
G298 (kcal/mol) = -3.78

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(78); C7H10(18)(+M)=>C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.424e+00 1.575e+00 -6.305e-03 -4.121e-02 / CHEB/ 5.615e+00 1.639e-02 -9.631e-02 5.305e-02 / CHEB/ -1.602e-01 1.662e-01 -4.672e-02 -2.029e-02 / CHEB/ -6.656e-02 7.036e-02 2.898e-02 -2.824e-02 / CHEB/ -5.361e-02 9.661e-03 3.965e-02 3.088e-03 / CHEB/ -2.510e-02 -5.309e-03 1.067e-02 1.163e-02 /

694.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.9	+7.2	+7.2
log₁₀(k(10 bar)/[mole,m,s])	+6.5	+7.6	+7.9	+8.1

Chebyshev(coeffs=[[5.63005,1.6806,-0.0751909,-0.0376205],[1.69103,-0.117158,0.0364809,0.0361097],[-0.0884464,0.0353944,-0.0513848,0.0145795],[-0.0476037,0.0975702,-0.0471783,-0.0131571],[-0.0651112,0.0698958,0.0110412,-0.0199511],[-0.0274353,0.00768324,0.0276024,-0.00742629]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.70
S298 (cal/mol*K) = -9.68
G298 (kcal/mol) = -47.82

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(79); C7H10(18)(+M)=>C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.630e+00 1.681e+00 -7.519e-02 -3.762e-02 / CHEB/ 1.691e+00 -1.172e-01 3.648e-02 3.611e-02 / CHEB/ -8.845e-02 3.539e-02 -5.138e-02 1.458e-02 / CHEB/ -4.760e-02 9.757e-02 -4.718e-02 -1.316e-02 / CHEB/ -6.511e-02 6.990e-02 1.104e-02 -1.995e-02 / CHEB/ -2.744e-02 7.683e-03 2.760e-02 -7.426e-03 /

695.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.3	+6.6	+6.9	+6.9
log₁₀(k(10 bar)/[mole,m,s])	+6.2	+7.3	+7.6	+7.8

Chebyshev(coeffs=[[5.32732,1.68309,-0.0762128,-0.0374034],[1.68808,-0.112893,0.0347735,0.0364467],[-0.0902589,0.0378997,-0.0522623,0.0146846],[-0.0480986,0.0980665,-0.0471408,-0.0132873],[-0.0646009,0.0688974,0.0117106,-0.0202143],[-0.0264689,0.00605531,0.0284786,-0.00769718]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.82
S298 (cal/mol*K) = -6.64
G298 (kcal/mol) = -32.85

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(80); C7H10(18)(+M)=>C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.327e+00 1.683e+00 -7.621e-02 -3.740e-02 / CHEB/ 1.688e+00 -1.129e-01 3.477e-02 3.645e-02 / CHEB/ -9.026e-02 3.790e-02 -5.226e-02 1.468e-02 / CHEB/ -4.810e-02 9.807e-02 -4.714e-02 -1.329e-02 / CHEB/ -6.460e-02 6.890e-02 1.171e-02 -2.021e-02 / CHEB/ -2.647e-02 6.055e-03 2.848e-02 -7.697e-03 /

696.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.5	-4.4	+1.2	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-21.7	-3.5	+2.2	+4.9

Chebyshev(coeffs=[[-21.4474,1.78984,-0.125928,-0.0522711],[25.8309,0.140625,0.0789316,0.0275537],[-0.344218,0.0535951,0.0329069,0.0143806],[-0.112885,-0.00329962,0.00101842,0.00329697],[-0.0594755,0.00139198,0.000954843,0.000571077],[-0.0203582,0.000875574,0.000176375,-0.000243933]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.22
S298 (cal/mol*K) = 32.68
G298 (kcal/mol) = 67.48

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), CH2(T)(82); C7H10(18), C6H8(81); C7H10(18)(+M)=>CH2(T)(82)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.145e+01 1.790e+00 -1.259e-01 -5.227e-02 / CHEB/ 2.583e+01 1.406e-01 7.893e-02 2.755e-02 / CHEB/ -3.442e-01 5.360e-02 3.291e-02 1.438e-02 / CHEB/ -1.129e-01 -3.300e-03 1.018e-03 3.297e-03 / CHEB/ -5.948e-02 1.392e-03 9.548e-04 5.711e-04 / CHEB/ -2.036e-02 8.756e-04 1.764e-04 -2.439e-04 /

697.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-46.0	-15.9	-6.1	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-45.1	-14.9	-5.1	-0.3

Chebyshev(coeffs=[[-43.888,1.89703,-0.0668072,-0.0327382],[42.9971,0.0807484,0.0511042,0.0238185],[-0.341171,0.0245441,0.0161279,0.00809352],[-0.0661186,-0.0118593,-0.00673954,-0.00240049],[-0.0265631,-0.0012913,-0.00105424,-0.000714471],[-0.00983975,0.000868404,0.000365322,-7.51375e-06]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 132.63
S298 (cal/mol*K) = 38.81
G298 (kcal/mol) = 121.06

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), CH2(T)(82); C7H10(18), C6H8(83); C7H10(18)(+M)=>CH2(T)(82)+C6H8(83)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.389e+01 1.897e+00 -6.681e-02 -3.274e-02 / CHEB/ 4.300e+01 8.075e-02 5.110e-02 2.382e-02 / CHEB/ -3.412e-01 2.454e-02 1.613e-02 8.094e-03 / CHEB/ -6.612e-02 -1.186e-02 -6.740e-03 -2.400e-03 / CHEB/ -2.656e-02 -1.291e-03 -1.054e-03 -7.145e-04 / CHEB/ -9.840e-03 8.684e-04 3.653e-04 -7.514e-06 /

698.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-2.6	+2.3	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-1.7	+3.3	+5.6

Chebyshev(coeffs=[[-16.9806,1.73676,-0.148108,-0.0527852],[21.8587,0.177911,0.089565,0.0215383],[-0.155169,0.0585757,0.0365686,0.0163564],[-0.0630998,-0.00137735,0.0034313,0.00534375],[-0.0505869,0.00282359,0.00195961,0.00120471],[-0.0232595,0.00324964,0.0013914,9.76569e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.28
S298 (cal/mol*K) = 24.20
G298 (kcal/mol) = 59.06

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(84); C7H10(18)(+M)=>H(25)+C7H9(84)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.698e+01 1.737e+00 -1.481e-01 -5.279e-02 / CHEB/ 2.186e+01 1.779e-01 8.956e-02 2.154e-02 / CHEB/ -1.552e-01 5.858e-02 3.657e-02 1.636e-02 / CHEB/ -6.310e-02 -1.377e-03 3.431e-03 5.344e-03 / CHEB/ -5.059e-02 2.824e-03 1.960e-03 1.205e-03 / CHEB/ -2.326e-02 3.250e-03 1.391e-03 9.766e-05 /

699.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-3.3	+0.8	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-2.8	+1.7	+4.0

Chebyshev(coeffs=[[-14.5754,0.321029,-0.209028,0.00212063],[17.3239,1.29286,0.07702,-0.01026],[0.116294,0.53538,0.110256,-0.00192352],[0.0385798,0.0457264,0.0439737,-0.0101488],[0.0680778,-0.108567,-0.011184,-0.00270077],[0.044702,-0.100173,-0.0264975,0.00617936]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.20
S298 (cal/mol*K) = 5.97
G298 (kcal/mol) = 34.42

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(85); C7H10(18)(+M)=>C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.458e+01 3.210e-01 -2.090e-01 2.121e-03 / CHEB/ 1.732e+01 1.293e+00 7.702e-02 -1.026e-02 / CHEB/ 1.163e-01 5.354e-01 1.103e-01 -1.924e-03 / CHEB/ 3.858e-02 4.573e-02 4.397e-02 -1.015e-02 / CHEB/ 6.808e-02 -1.086e-01 -1.118e-02 -2.701e-03 / CHEB/ 4.470e-02 -1.002e-01 -2.650e-02 6.179e-03 /

700.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-3.8	+0.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-3.2	+1.7	+4.1

Chebyshev(coeffs=[[-14.0708,0.306378,-0.155582,0.0169285],[16.223,1.38867,0.0775621,-0.0261277],[0.659309,0.554983,0.0835661,-0.00331911],[0.234272,-0.0291684,-0.00349837,-0.0121115],[0.0394797,-0.195672,-0.0379094,-0.00429143],[-0.0307823,-0.114976,-0.0127512,0.00959493]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.20
S298 (cal/mol*K) = 5.97
G298 (kcal/mol) = 34.42

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(86); C7H10(18)(+M)=>C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.407e+01 3.064e-01 -1.556e-01 1.693e-02 / CHEB/ 1.622e+01 1.389e+00 7.756e-02 -2.613e-02 / CHEB/ 6.593e-01 5.550e-01 8.357e-02 -3.319e-03 / CHEB/ 2.343e-01 -2.917e-02 -3.498e-03 -1.211e-02 / CHEB/ 3.948e-02 -1.957e-01 -3.791e-02 -4.291e-03 / CHEB/ -3.078e-02 -1.150e-01 -1.275e-02 9.595e-03 /

701.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-0.7	+2.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-0.6	+2.6	+4.2

Chebyshev(coeffs=[[-10.3736,0.0614402,-0.194031,0.0202897],[14.0207,1.10887,-0.0256863,-0.0372282],[-0.184421,0.561544,0.0977715,0.00747257],[-0.226241,0.188554,0.0802724,0.00652891],[-0.0862703,0.0549762,0.0411483,0.000770607],[0.0209555,0.0268692,0.00726839,-0.00233797]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.20
S298 (cal/mol*K) = 5.97
G298 (kcal/mol) = 34.42

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(87); C7H10(18)(+M)=>C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.037e+01 6.144e-02 -1.940e-01 2.029e-02 / CHEB/ 1.402e+01 1.109e+00 -2.569e-02 -3.723e-02 / CHEB/ -1.844e-01 5.615e-01 9.777e-02 7.473e-03 / CHEB/ -2.262e-01 1.886e-01 8.027e-02 6.529e-03 / CHEB/ -8.627e-02 5.498e-02 4.115e-02 7.706e-04 / CHEB/ 2.096e-02 2.687e-02 7.268e-03 -2.338e-03 /

702.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-0.6	+3.1	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-12.7	+0.1	+4.0	+5.6

Chebyshev(coeffs=[[-11.4945,0.504565,-0.318853,0.00341375],[16.0401,1.25818,0.067762,-0.0948918],[0.388319,0.258936,0.166114,0.014985],[-0.121027,-0.0854713,0.0404483,0.0377495],[-0.15536,-0.0771227,-0.0213871,0.0127371],[-0.0861949,-0.0157186,-0.0195258,-0.005382]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.40
S298 (cal/mol*K) = 5.55
G298 (kcal/mol) = 36.75

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(88); C7H10(18)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.149e+01 5.046e-01 -3.189e-01 3.414e-03 / CHEB/ 1.604e+01 1.258e+00 6.776e-02 -9.489e-02 / CHEB/ 3.883e-01 2.589e-01 1.661e-01 1.498e-02 / CHEB/ -1.210e-01 -8.547e-02 4.045e-02 3.775e-02 / CHEB/ -1.554e-01 -7.712e-02 -2.139e-02 1.274e-02 / CHEB/ -8.619e-02 -1.572e-02 -1.953e-02 -5.382e-03 /

703.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+3.7	+5.5	+6.2
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+4.3	+6.3	+7.1

Chebyshev(coeffs=[[-0.857372,0.33706,-0.00986213,-0.0501873],[6.82711,1.28492,0.136388,0.0454032],[0.450408,0.250092,-0.257803,-0.048565],[-0.202044,0.0225745,-0.0192365,0.00978421],[-0.097212,0.0420255,0.0930661,0.0305876],[0.015682,-0.026972,-0.000942041,-0.00485769]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.57
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = 0.58

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(89); C7H10(18)(+M)=>C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.574e-01 3.371e-01 -9.862e-03 -5.019e-02 / CHEB/ 6.827e+00 1.285e+00 1.364e-01 4.540e-02 / CHEB/ 4.504e-01 2.501e-01 -2.578e-01 -4.857e-02 / CHEB/ -2.020e-01 2.257e-02 -1.924e-02 9.784e-03 / CHEB/ -9.721e-02 4.203e-02 9.307e-02 3.059e-02 / CHEB/ 1.568e-02 -2.697e-02 -9.420e-04 -4.858e-03 /

704.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-0.2	+3.4	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-10.0	+0.7	+4.3	+6.1

Chebyshev(coeffs=[[-9.75892,1.57611,-0.144474,-0.00199914],[14.6529,0.291225,0.0398589,-0.0473332],[0.201881,0.0894276,0.0620896,0.0175723],[0.0328392,-0.00173357,0.0151802,0.0171206],[-0.0300434,-0.0016367,0.00155206,0.00499465],[-0.0230701,0.00593133,0.000638478,-0.00122884]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.70
S298 (cal/mol*K) = -1.87
G298 (kcal/mol) = 12.26

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(90); C7H10(18)(+M)=>C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.759e+00 1.576e+00 -1.445e-01 -1.999e-03 / CHEB/ 1.465e+01 2.912e-01 3.986e-02 -4.733e-02 / CHEB/ 2.019e-01 8.943e-02 6.209e-02 1.757e-02 / CHEB/ 3.284e-02 -1.734e-03 1.518e-02 1.712e-02 / CHEB/ -3.004e-02 -1.637e-03 1.552e-03 4.995e-03 / CHEB/ -2.307e-02 5.931e-03 6.385e-04 -1.229e-03 /

705.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-1.8	+1.9	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-0.9	+2.9	+4.5

Chebyshev(coeffs=[[-13.5788,1.65702,-0.168017,-0.0394485],[17.6218,0.2194,0.0836172,-0.00351626],[-0.300681,0.068061,0.0430127,0.0182369],[-0.107287,0.000443698,0.00734068,0.00895291],[-0.0722242,0.00364611,0.0030764,0.00247724],[-0.0368097,0.00689828,0.00283582,0.000186827]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.36
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = 39.41

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(91); C7H10(18)(+M)=>C7H10(91)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.358e+01 1.657e+00 -1.680e-01 -3.945e-02 / CHEB/ 1.762e+01 2.194e-01 8.362e-02 -3.516e-03 / CHEB/ -3.007e-01 6.806e-02 4.301e-02 1.824e-02 / CHEB/ -1.073e-01 4.437e-04 7.341e-03 8.953e-03 / CHEB/ -7.222e-02 3.646e-03 3.076e-03 2.477e-03 / CHEB/ -3.681e-02 6.898e-03 2.836e-03 1.868e-04 /

707.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.5	+6.8	+6.7
log₁₀(k(10 bar)/[mole,m,s])	+6.5	+7.2	+7.5	+7.6

Chebyshev(coeffs=[[5.64069,1.67973,-0.0841969,-0.0386403],[1.18873,-0.0993747,0.0446131,0.0376604],[-0.0647372,0.0247903,-0.0493213,0.0139407],[-0.0383364,0.0935245,-0.0497101,-0.0116617],[-0.0652884,0.0749632,0.00756595,-0.0194943],[-0.0282793,0.0100034,0.0278841,-0.00894183]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.82
S298 (cal/mol*K) = -6.64
G298 (kcal/mol) = -32.85

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(92); C7H10(18)(+M)=>C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.641e+00 1.680e+00 -8.420e-02 -3.864e-02 / CHEB/ 1.189e+00 -9.937e-02 4.461e-02 3.766e-02 / CHEB/ -6.474e-02 2.479e-02 -4.932e-02 1.394e-02 / CHEB/ -3.834e-02 9.352e-02 -4.971e-02 -1.166e-02 / CHEB/ -6.529e-02 7.496e-02 7.566e-03 -1.949e-02 / CHEB/ -2.828e-02 1.000e-02 2.788e-02 -8.942e-03 /

708.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+8.3	+8.6	+8.6	+8.5
log₁₀(k(10 bar)/[mole,m,s])	+9.2	+9.3	+9.4	+9.4

Chebyshev(coeffs=[[8.26951,1.6368,-0.103953,-0.040819],[0.275844,-0.0215262,0.0700677,0.0403578],[-0.0265035,-0.0253224,-0.0415309,0.0136771],[-0.0215918,0.0770484,-0.0552252,-0.00805584],[-0.0638576,0.0858197,-0.00423399,-0.0176798],[-0.0348933,0.0241535,0.0222081,-0.0104062]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.26
S298 (cal/mol*K) = -15.46
G298 (kcal/mol) = -50.66

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(93); C7H10(18)(+M)=>C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.270e+00 1.637e+00 -1.040e-01 -4.082e-02 / CHEB/ 2.758e-01 -2.153e-02 7.007e-02 4.036e-02 / CHEB/ -2.650e-02 -2.532e-02 -4.153e-02 1.368e-02 / CHEB/ -2.159e-02 7.705e-02 -5.523e-02 -8.056e-03 / CHEB/ -6.386e-02 8.582e-02 -4.234e-03 -1.768e-02 / CHEB/ -3.489e-02 2.415e-02 2.221e-02 -1.041e-02 /

709.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-1.0	+3.1	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-0.1	+4.0	+5.9

Chebyshev(coeffs=[[-13.2664,1.67255,-0.164728,-0.0423992],[18.4852,0.217575,0.0880933,0.00183392],[-0.165995,0.0658796,0.0423869,0.0189067],[-0.0705568,-0.000336166,0.00632643,0.00824321],[-0.0598592,0.00330826,0.00263967,0.0020464],[-0.0315525,0.00600917,0.00247438,0.00013675]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.72
S298 (cal/mol*K) = 27.00
G298 (kcal/mol) = 42.68

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C6H8(94); C7H10(18), CH2(T)(82); C7H10(18)(+M)=>C6H8(94)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.327e+01 1.673e+00 -1.647e-01 -4.240e-02 / CHEB/ 1.849e+01 2.176e-01 8.809e-02 1.834e-03 / CHEB/ -1.660e-01 6.588e-02 4.239e-02 1.891e-02 / CHEB/ -7.056e-02 -3.362e-04 6.326e-03 8.243e-03 / CHEB/ -5.986e-02 3.308e-03 2.640e-03 2.046e-03 / CHEB/ -3.155e-02 6.009e-03 2.474e-03 1.368e-04 /

710.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-3.0	+1.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-17.4	-2.1	+2.7	+4.9

Chebyshev(coeffs=[[-16.0487,0.803086,-0.103036,-0.0123272],[19.6967,1.43915,0.079793,-0.0315756],[0.541141,-0.146578,-0.0579765,0.0127662],[-0.182864,-0.252403,0.0469848,0.0325955],[-0.135521,0.10738,0.0549714,-0.00592814],[-0.0384066,0.061455,-0.0410831,-0.0140312]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.94
S298 (cal/mol*K) = 2.01
G298 (kcal/mol) = 31.34

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(95); C7H10(18)(+M)=>C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.605e+01 8.031e-01 -1.030e-01 -1.233e-02 / CHEB/ 1.970e+01 1.439e+00 7.979e-02 -3.158e-02 / CHEB/ 5.411e-01 -1.466e-01 -5.798e-02 1.277e-02 / CHEB/ -1.829e-01 -2.524e-01 4.698e-02 3.260e-02 / CHEB/ -1.355e-01 1.074e-01 5.497e-02 -5.928e-03 / CHEB/ -3.841e-02 6.145e-02 -4.108e-02 -1.403e-02 /

711.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-2.4	+1.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-1.9	+2.4	+4.5

Chebyshev(coeffs=[[-10.4309,0.18164,-0.0587356,0.0302223],[12.8852,1.37651,-0.0288741,-0.0323349],[0.832204,0.655195,0.0769945,-0.0207177],[0.220346,0.0464464,-0.000865076,-0.00663969],[0.0226922,-0.180887,-0.0370309,-0.00225764],[-0.00560226,-0.145224,-0.00776222,0.00763555]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.74
S298 (cal/mol*K) = 0.91
G298 (kcal/mol) = 22.47

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(96); C7H10(18)(+M)=>C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.043e+01 1.816e-01 -5.874e-02 3.022e-02 / CHEB/ 1.289e+01 1.377e+00 -2.887e-02 -3.233e-02 / CHEB/ 8.322e-01 6.552e-01 7.699e-02 -2.072e-02 / CHEB/ 2.203e-01 4.645e-02 -8.651e-04 -6.640e-03 / CHEB/ 2.269e-02 -1.809e-01 -3.703e-02 -2.258e-03 / CHEB/ -5.602e-03 -1.452e-01 -7.762e-03 7.636e-03 /

712.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	+0.2	+3.4	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-9.7	+1.0	+4.3	+5.8

Chebyshev(coeffs=[[-9.11326,0.848608,0.00801603,-0.00588147],[13.8306,1.34713,-0.139818,-0.0642993],[0.337119,-0.269812,0.01331,0.0495206],[-0.173718,-0.064129,0.112516,0.0161247],[-0.0622571,0.0967915,-0.0200521,-0.0269951],[-0.032097,-0.0145181,-0.0226517,0.0174375]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.74
S298 (cal/mol*K) = 0.91
G298 (kcal/mol) = 22.47

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(97); C7H10(18)(+M)=>C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.113e+00 8.486e-01 8.016e-03 -5.881e-03 / CHEB/ 1.383e+01 1.347e+00 -1.398e-01 -6.430e-02 / CHEB/ 3.371e-01 -2.698e-01 1.331e-02 4.952e-02 / CHEB/ -1.737e-01 -6.413e-02 1.125e-01 1.612e-02 / CHEB/ -6.226e-02 9.679e-02 -2.005e-02 -2.700e-02 / CHEB/ -3.210e-02 -1.452e-02 -2.265e-02 1.744e-02 /

714.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.5	-4.0	+1.7	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-21.3	-3.2	+2.6	+5.4

Chebyshev(coeffs=[[-20.6444,1.14238,-0.263895,0.00055874],[25.3509,0.601054,0.0977895,-0.0578131],[-0.248099,0.161231,0.0706427,0.000781236],[-0.0480226,-0.0171813,0.0193188,0.0153635],[0.0221174,-0.0398593,-0.00712765,0.00798143],[0.0209838,-0.0148398,-0.00870331,-0.000423162]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.50
S298 (cal/mol*K) = 27.55
G298 (kcal/mol) = 70.29

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), H(25); C7H9(5), C7H8(255); C7H9(5)(+M)=>H(25)+C7H8(255)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.064e+01 1.142e+00 -2.639e-01 5.587e-04 / CHEB/ 2.535e+01 6.011e-01 9.779e-02 -5.781e-02 / CHEB/ -2.481e-01 1.612e-01 7.064e-02 7.812e-04 / CHEB/ -4.802e-02 -1.718e-02 1.932e-02 1.536e-02 / CHEB/ 2.212e-02 -3.986e-02 -7.128e-03 7.981e-03 / CHEB/ 2.098e-02 -1.484e-02 -8.703e-03 -4.232e-04 /

715.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-2.2	+2.4	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-1.7	+3.2	+5.6

Chebyshev(coeffs=[[-16.5795,0.850404,-0.226104,0.0260547],[21.5634,0.714789,9.02828e-05,-0.0684664],[-0.297485,0.237676,0.0615009,-0.0217489],[-0.0822311,0.00945535,0.0402496,0.00855945],[0.00395657,-0.0398052,0.00754812,0.0120067],[0.0146978,-0.020707,-0.0065466,0.0041264]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 7.24
G298 (kcal/mol) = 30.84

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(249); C7H9(5)(+M)=>C7H9(249)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.658e+01 8.504e-01 -2.261e-01 2.605e-02 / CHEB/ 2.156e+01 7.148e-01 9.028e-05 -6.847e-02 / CHEB/ -2.975e-01 2.377e-01 6.150e-02 -2.175e-02 / CHEB/ -8.223e-02 9.455e-03 4.025e-02 8.559e-03 / CHEB/ 3.957e-03 -3.981e-02 7.548e-03 1.201e-02 / CHEB/ 1.470e-02 -2.071e-02 -6.547e-03 4.126e-03 /

716.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.2	-1.6	+2.9	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-1.1	+3.7	+6.0

Chebyshev(coeffs=[[-15.5469,0.798955,-0.214061,0.0271841],[20.9347,0.728513,-0.0195866,-0.0648119],[-0.304313,0.2525,0.0565258,-0.0254623],[-0.0878036,0.0162228,0.0430658,0.0059041],[0.000927926,-0.0388994,0.0107594,0.0119196],[0.0137309,-0.0216956,-0.00551696,0.00496633]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 7.24
G298 (kcal/mol) = 30.84

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(248); C7H9(5)(+M)=>C7H9(248)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.555e+01 7.990e-01 -2.141e-01 2.718e-02 / CHEB/ 2.093e+01 7.285e-01 -1.959e-02 -6.481e-02 / CHEB/ -3.043e-01 2.525e-01 5.653e-02 -2.546e-02 / CHEB/ -8.780e-02 1.622e-02 4.307e-02 5.904e-03 / CHEB/ 9.279e-04 -3.890e-02 1.076e-02 1.192e-02 / CHEB/ 1.373e-02 -2.170e-02 -5.517e-03 4.966e-03 /

717.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-1.1	+2.7	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-0.7	+3.3	+5.2

Chebyshev(coeffs=[[-12.5854,0.524043,-0.125493,0.011376],[17.1925,0.749558,-0.11525,-0.0219331],[-0.238564,0.349464,0.0051124,-0.0308071],[-0.10124,0.0777164,0.0453038,-0.0132461],[-0.0122026,-0.0243075,0.0298323,0.00344231],[0.0115427,-0.0283265,0.005401,0.00721339]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.60
S298 (cal/mol*K) = 0.24
G298 (kcal/mol) = 9.53

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(247); C7H9(5)(+M)=>C7H9(247)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.259e+01 5.240e-01 -1.255e-01 1.138e-02 / CHEB/ 1.719e+01 7.496e-01 -1.152e-01 -2.193e-02 / CHEB/ -2.386e-01 3.495e-01 5.112e-03 -3.081e-02 / CHEB/ -1.012e-01 7.772e-02 4.530e-02 -1.325e-02 / CHEB/ -1.220e-02 -2.431e-02 2.983e-02 3.442e-03 / CHEB/ 1.154e-02 -2.833e-02 5.401e-03 7.213e-03 /

718.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-5.5	+0.3	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-23.3	-4.8	+1.2	+4.1

Chebyshev(coeffs=[[-22.6813,1.19514,-0.266689,-0.00682283],[26.0841,0.565688,0.10988,-0.0510632],[-0.29243,0.148069,0.0679674,0.00370201],[-0.0579945,-0.0191613,0.0152185,0.0148788],[0.0194428,-0.0384547,-0.00856421,0.00673745],[0.0196893,-0.0136262,-0.00832728,-0.000974768]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.60
S298 (cal/mol*K) = 23.61
G298 (kcal/mol) = 78.56

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), H(25); C7H9(5), C7H8(256); C7H9(5)(+M)=>H(25)+C7H8(256)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.268e+01 1.195e+00 -2.667e-01 -6.823e-03 / CHEB/ 2.608e+01 5.657e-01 1.099e-01 -5.106e-02 / CHEB/ -2.924e-01 1.481e-01 6.797e-02 3.702e-03 / CHEB/ -5.799e-02 -1.916e-02 1.522e-02 1.488e-02 / CHEB/ 1.944e-02 -3.845e-02 -8.564e-03 6.737e-03 / CHEB/ 1.969e-02 -1.363e-02 -8.327e-03 -9.748e-04 /

719.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.5	-9.7	-2.2	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-31.9	-8.8	-1.2	+2.6

Chebyshev(coeffs=[[-31.1519,1.57168,-0.209415,-0.0502819],[32.9928,0.343465,0.142994,0.0109062],[-0.272684,0.0621693,0.0399775,0.0166769],[-0.0241147,-0.0289079,-0.00757679,0.00484491],[0.0404015,-0.0260034,-0.0132475,-0.00289111],[0.0261964,-0.0050739,-0.00454726,-0.00297029]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 30.61
G298 (kcal/mol) = 99.88

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), H(25); C7H9(5), C7H8(257); C7H9(5)(+M)=>H(25)+C7H8(257)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.115e+01 1.572e+00 -2.094e-01 -5.028e-02 / CHEB/ 3.299e+01 3.435e-01 1.430e-01 1.091e-02 / CHEB/ -2.727e-01 6.217e-02 3.998e-02 1.668e-02 / CHEB/ -2.411e-02 -2.891e-02 -7.577e-03 4.845e-03 / CHEB/ 4.040e-02 -2.600e-02 -1.325e-02 -2.891e-03 / CHEB/ 2.620e-02 -5.074e-03 -4.547e-03 -2.970e-03 /

720.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.5	-13.8	-6.2	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-35.9	-12.9	-5.3	-1.4

Chebyshev(coeffs=[[-35.1064,1.562,-0.211331,-0.0486767],[32.8366,0.357886,0.146665,0.00951888],[-0.189702,0.0630752,0.0411417,0.0173074],[-0.00199828,-0.030242,-0.0077177,0.00524538],[0.0474176,-0.0264887,-0.0135214,-0.00292147],[0.0292355,-0.00496076,-0.00461574,-0.00308555]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.44
S298 (cal/mol*K) = 9.89
G298 (kcal/mol) = 104.49

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), H(25); C7H9(5), C7H8(258); C7H9(5)(+M)=>H(25)+C7H8(258)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.511e+01 1.562e+00 -2.113e-01 -4.868e-02 / CHEB/ 3.284e+01 3.579e-01 1.467e-01 9.519e-03 / CHEB/ -1.897e-01 6.308e-02 4.114e-02 1.731e-02 / CHEB/ -1.998e-03 -3.024e-02 -7.718e-03 5.245e-03 / CHEB/ 4.742e-02 -2.649e-02 -1.352e-02 -2.921e-03 / CHEB/ 2.924e-02 -4.961e-03 -4.616e-03 -3.086e-03 /

721.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-0.2	+3.5	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-12.5	+0.2	+4.1	+5.9

Chebyshev(coeffs=[[-11.8923,0.537505,-0.138769,0.0163197],[17.39,0.724997,-0.109099,-0.026662],[-0.380419,0.331251,0.00741653,-0.0316551],[-0.139053,0.0725166,0.0430752,-0.0121953],[-0.0255086,-0.0225782,0.0274515,0.00382987],[0.00537995,-0.0255872,0.00469,0.00682373]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.80
S298 (cal/mol*K) = 7.94
G298 (kcal/mol) = 32.43

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(259); C7H9(5)(+M)=>C7H9(259)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.189e+01 5.375e-01 -1.388e-01 1.632e-02 / CHEB/ 1.739e+01 7.250e-01 -1.091e-01 -2.666e-02 / CHEB/ -3.804e-01 3.313e-01 7.417e-03 -3.166e-02 / CHEB/ -1.391e-01 7.252e-02 4.308e-02 -1.220e-02 / CHEB/ -2.551e-02 -2.258e-02 2.745e-02 3.830e-03 / CHEB/ 5.380e-03 -2.559e-02 4.690e-03 6.824e-03 /

722.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-4.9	+1.0	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-4.1	+1.9	+4.9

Chebyshev(coeffs=[[-22.724,1.29026,-0.263929,-0.0198553],[27.0934,0.509496,0.128175,-0.0368355],[-0.416907,0.126963,0.0633247,0.00866044],[-0.0815579,-0.0221155,0.00863201,0.0135793],[0.0155929,-0.0365098,-0.0108309,0.00445384],[0.0175064,-0.0119167,-0.00775744,-0.00187359]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.49
S298 (cal/mol*K) = 20.19
G298 (kcal/mol) = 48.47

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(260); C7H9(5)(+M)=>C7H9(260)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.272e+01 1.290e+00 -2.639e-01 -1.986e-02 / CHEB/ 2.709e+01 5.095e-01 1.282e-01 -3.684e-02 / CHEB/ -4.169e-01 1.270e-01 6.332e-02 8.660e-03 / CHEB/ -8.156e-02 -2.212e-02 8.632e-03 1.358e-02 / CHEB/ 1.559e-02 -3.651e-02 -1.083e-02 4.454e-03 / CHEB/ 1.751e-02 -1.192e-02 -7.757e-03 -1.874e-03 /

723.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.2	-14.5	-7.0	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-36.6	-13.6	-6.1	-2.2

Chebyshev(coeffs=[[-35.7981,1.55873,-0.212565,-0.0486989],[32.738,0.357867,0.146042,0.00890925],[-0.214243,0.0640717,0.0414194,0.0171375],[-0.00945614,-0.0299508,-0.00745182,0.0053867],[0.0446831,-0.0266327,-0.0134808,-0.00279658],[0.0281937,-0.0051082,-0.00467776,-0.00307431]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.44
S298 (cal/mol*K) = 8.51
G298 (kcal/mol) = 104.90

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), H(25); C7H9(5), C7H8(261); C7H9(5)(+M)=>H(25)+C7H8(261)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.580e+01 1.559e+00 -2.126e-01 -4.870e-02 / CHEB/ 3.274e+01 3.579e-01 1.460e-01 8.909e-03 / CHEB/ -2.142e-01 6.407e-02 4.142e-02 1.714e-02 / CHEB/ -9.456e-03 -2.995e-02 -7.452e-03 5.387e-03 / CHEB/ 4.468e-02 -2.663e-02 -1.348e-02 -2.797e-03 / CHEB/ 2.819e-02 -5.108e-03 -4.678e-03 -3.074e-03 /

724.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	+3.1	+6.2	+7.6
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+3.3	+6.7	+8.3

Chebyshev(coeffs=[[-6.85938,0.395051,-0.0898856,0.00333429],[14.715,0.652226,-0.125633,-0.00679102],[-0.248418,0.376177,-0.0352946,-0.0193882],[-0.134434,0.134964,0.0215946,-0.0166097],[-0.0379306,0.00834211,0.0300272,-0.00517294],[0.00183938,-0.0235074,0.0143971,0.0030438]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.49
S298 (cal/mol*K) = -10.91
G298 (kcal/mol) = 23.74

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(24); C7H9(5)(+M)=>C7H9(24)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.859e+00 3.951e-01 -8.989e-02 3.334e-03 / CHEB/ 1.471e+01 6.522e-01 -1.256e-01 -6.791e-03 / CHEB/ -2.484e-01 3.762e-01 -3.529e-02 -1.939e-02 / CHEB/ -1.344e-01 1.350e-01 2.159e-02 -1.661e-02 / CHEB/ -3.793e-02 8.342e-03 3.003e-02 -5.173e-03 / CHEB/ 1.839e-03 -2.351e-02 1.440e-02 3.044e-03 /

725.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.7	-6.8	-1.4	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-23.5	-6.1	-0.5	+2.2

Chebyshev(coeffs=[[-22.8446,1.06712,-0.258356,0.00961966],[24.3242,0.639733,0.076247,-0.0651153],[-0.23984,0.18047,0.0717906,-0.00450873],[-0.0500257,-0.0123214,0.0252898,0.0150507],[0.0200303,-0.0409078,-0.00417922,0.009604],[0.0204307,-0.0165159,-0.00880065,0.00061168]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.04
S298 (cal/mol*K) = -12.62
G298 (kcal/mol) = 34.80

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(26); C7H9(5)(+M)=>C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.284e+01 1.067e+00 -2.584e-01 9.620e-03 / CHEB/ 2.432e+01 6.397e-01 7.625e-02 -6.512e-02 / CHEB/ -2.398e-01 1.805e-01 7.179e-02 -4.509e-03 / CHEB/ -5.003e-02 -1.232e-02 2.529e-02 1.505e-02 / CHEB/ 2.003e-02 -4.091e-02 -4.179e-03 9.604e-03 / CHEB/ 2.043e-02 -1.652e-02 -8.801e-03 6.117e-04 /

726.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.4	-2.9	+1.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-15.4	-2.5	+1.6	+3.6

Chebyshev(coeffs=[[-14.7101,0.553511,-0.136238,0.0143846],[17.6844,0.755035,-0.107914,-0.0271726],[-0.260034,0.337014,0.0133948,-0.0322035],[-0.101375,0.0672313,0.0471253,-0.0112562],[-0.0107007,-0.0276009,0.0278017,0.00521023],[0.0115538,-0.0274782,0.00350165,0.00742147]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.84
S298 (cal/mol*K) = -13.72
G298 (kcal/mol) = 25.93

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(27); C7H9(5)(+M)=>C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.471e+01 5.535e-01 -1.362e-01 1.438e-02 / CHEB/ 1.768e+01 7.550e-01 -1.079e-01 -2.717e-02 / CHEB/ -2.600e-01 3.370e-01 1.339e-02 -3.220e-02 / CHEB/ -1.014e-01 6.723e-02 4.713e-02 -1.126e-02 / CHEB/ -1.070e-02 -2.760e-02 2.780e-02 5.210e-03 / CHEB/ 1.155e-02 -2.748e-02 3.502e-03 7.421e-03 /

727.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	+2.2	+5.3	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-8.9	+2.4	+5.8	+7.3

Chebyshev(coeffs=[[-8.4471,0.456484,-0.112469,0.00934819],[15.593,0.690451,-0.124632,-0.0137576],[-0.488096,0.35356,-0.0156661,-0.0263962],[-0.185303,0.10078,0.0341521,-0.0161543],[-0.0467458,-0.00944715,0.0301865,-0.00117319],[-0.00186098,-0.0249496,0.00958484,0.00532323]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.56
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = 36.68

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(45); C7H9(5)(+M)=>C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.447e+00 4.565e-01 -1.125e-01 9.348e-03 / CHEB/ 1.559e+01 6.905e-01 -1.246e-01 -1.376e-02 / CHEB/ -4.881e-01 3.536e-01 -1.567e-02 -2.640e-02 / CHEB/ -1.853e-01 1.008e-01 3.415e-02 -1.615e-02 / CHEB/ -4.675e-02 -9.447e-03 3.019e-02 -1.173e-03 / CHEB/ -1.861e-03 -2.495e-02 9.585e-03 5.323e-03 /

728.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	+3.0	+5.5	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+3.1	+5.9	+7.1

Chebyshev(coeffs=[[-5.61631,0.310041,-0.0726864,0.00185847],[12.5479,0.539247,-0.115769,-0.00211405],[-0.385849,0.352794,-0.0535165,-0.0111351],[-0.189911,0.163687,-0.0015302,-0.0132479],[-0.0718019,0.0409106,0.0190761,-0.0077156],[-0.0155635,-0.00845227,0.0154255,-0.000662091]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.50
S298 (cal/mol*K) = -1.68
G298 (kcal/mol) = 16.00

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(262); C7H9(5)(+M)=>C7H9(262)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.616e+00 3.100e-01 -7.269e-02 1.858e-03 / CHEB/ 1.255e+01 5.392e-01 -1.158e-01 -2.114e-03 / CHEB/ -3.858e-01 3.528e-01 -5.352e-02 -1.114e-02 / CHEB/ -1.899e-01 1.637e-01 -1.530e-03 -1.325e-02 / CHEB/ -7.180e-02 4.091e-02 1.908e-02 -7.716e-03 / CHEB/ -1.556e-02 -8.452e-03 1.543e-02 -6.621e-04 /

729.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	+5.4	+7.9	+8.9
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+5.5	+8.2	+9.5

Chebyshev(coeffs=[[-2.34819,0.278934,-0.063582,0.000649264],[11.4596,0.495956,-0.105915,-0.00209256],[-0.212355,0.34498,-0.0572252,-0.0083322],[-0.150102,0.179423,-0.0111438,-0.0108168],[-0.0684311,0.0592335,0.0126091,-0.00753707],[-0.0178704,0.000857708,0.0146605,-0.00184428]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.92
S298 (cal/mol*K) = 16.43
G298 (kcal/mol) = 6.02

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(60); C7H9(5)(+M)=>C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.348e+00 2.789e-01 -6.358e-02 6.493e-04 / CHEB/ 1.146e+01 4.960e-01 -1.059e-01 -2.093e-03 / CHEB/ -2.124e-01 3.450e-01 -5.723e-02 -8.332e-03 / CHEB/ -1.501e-01 1.794e-01 -1.114e-02 -1.082e-02 / CHEB/ -6.843e-02 5.923e-02 1.261e-02 -7.537e-03 / CHEB/ -1.787e-02 8.577e-04 1.466e-02 -1.844e-03 /

730.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	+2.3	+5.9	+7.5
log₁₀(k(10 bar)/[mole,m,s])	-9.8	+2.6	+6.5	+8.2

Chebyshev(coeffs=[[-9.24519,0.517996,-0.132298,0.0146002],[17.1058,0.719273,-0.113879,-0.0232984],[-0.410737,0.337062,0.00218875,-0.0307539],[-0.143998,0.078574,0.0415841,-0.0133749],[-0.0267292,-0.0200851,0.0283804,0.00270156],[0.00430377,-0.0256342,0.00578984,0.00660517]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.33
S298 (cal/mol*K) = 10.58
G298 (kcal/mol) = 15.18

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(263); C7H9(5)(+M)=>C7H9(263)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.245e+00 5.180e-01 -1.323e-01 1.460e-02 / CHEB/ 1.711e+01 7.193e-01 -1.139e-01 -2.330e-02 / CHEB/ -4.107e-01 3.371e-01 2.189e-03 -3.075e-02 / CHEB/ -1.440e-01 7.857e-02 4.158e-02 -1.337e-02 / CHEB/ -2.673e-02 -2.009e-02 2.838e-02 2.702e-03 / CHEB/ 4.304e-03 -2.563e-02 5.790e-03 6.605e-03 /

731.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-1.7	+3.2	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-1.2	+4.0	+6.5

Chebyshev(coeffs=[[-17.0069,0.743061,-0.179516,0.0242509],[22.9854,0.803732,-0.0405539,-0.0537956],[-0.370199,0.291284,0.0588123,-0.0284965],[-0.116146,0.0236808,0.050629,0.00401946],[-0.00361384,-0.0455352,0.0144881,0.0128578],[0.0185182,-0.0286344,-0.00622665,0.00619636]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.06
S298 (cal/mol*K) = 30.19
G298 (kcal/mol) = 63.07

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(264); C7H11(22)(+M)=>H(25)+C7H10(264)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.701e+01 7.431e-01 -1.795e-01 2.425e-02 / CHEB/ 2.299e+01 8.037e-01 -4.055e-02 -5.380e-02 / CHEB/ -3.702e-01 2.913e-01 5.881e-02 -2.850e-02 / CHEB/ -1.161e-01 2.368e-02 5.063e-02 4.019e-03 / CHEB/ -3.614e-03 -4.554e-02 1.449e-02 1.286e-02 / CHEB/ 1.852e-02 -2.863e-02 -6.227e-03 6.196e-03 /

733.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.2	-0.9	+3.7	+5.9
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-0.5	+4.4	+6.8

Chebyshev(coeffs=[[-14.5478,0.576587,-0.127813,-0.00446561],[20.2873,0.908405,-0.10192,-0.00738046],[0.400751,0.320406,0.0361226,-0.0365049],[-0.309979,0.0165474,0.0674819,-0.0118284],[-0.0737534,-0.0290321,0.0202461,0.0146243],[0.0770153,-0.023977,-0.00780532,0.0098045]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.40
S298 (cal/mol*K) = 7.00
G298 (kcal/mol) = 21.31

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(265); C7H11(22)(+M)=>C7H11(265)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.455e+01 5.766e-01 -1.278e-01 -4.466e-03 / CHEB/ 2.029e+01 9.084e-01 -1.019e-01 -7.380e-03 / CHEB/ 4.008e-01 3.204e-01 3.612e-02 -3.650e-02 / CHEB/ -3.100e-01 1.655e-02 6.748e-02 -1.183e-02 / CHEB/ -7.375e-02 -2.903e-02 2.025e-02 1.462e-02 / CHEB/ 7.702e-02 -2.398e-02 -7.805e-03 9.805e-03 /

734.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+4.5	+7.2	+8.3
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+4.6	+7.6	+8.9

Chebyshev(coeffs=[[-4.40493,0.265911,-0.0547007,-0.000357066],[13.1402,0.479549,-0.0929928,-0.0029223],[-0.333193,0.34839,-0.054043,-0.00718403],[-0.201346,0.196587,-0.0145471,-0.00909141],[-0.0969249,0.0767519,0.00875152,-0.00673453],[-0.032388,0.0101348,0.0136535,-0.00207102]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.85
S298 (cal/mol*K) = 8.71
G298 (kcal/mol) = 10.25

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(266); C7H11(22)(+M)=>C7H11(266)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.405e+00 2.659e-01 -5.470e-02 -3.571e-04 / CHEB/ 1.314e+01 4.795e-01 -9.299e-02 -2.922e-03 / CHEB/ -3.332e-01 3.484e-01 -5.404e-02 -7.184e-03 / CHEB/ -2.013e-01 1.966e-01 -1.455e-02 -9.091e-03 / CHEB/ -9.692e-02 7.675e-02 8.752e-03 -6.735e-03 / CHEB/ -3.239e-02 1.013e-02 1.365e-02 -2.071e-03 /

735.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-7.0	-0.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-27.0	-6.2	+0.3	+3.6

Chebyshev(coeffs=[[-26.3709,1.26766,-0.256526,-0.0123235],[29.4388,0.56657,0.134177,-0.040601],[-0.435837,0.134603,0.0706425,0.0107326],[-0.0853901,-0.025578,0.0095355,0.0150595],[0.0221586,-0.0417614,-0.0127362,0.00463384],[0.0256434,-0.0143391,-0.00941952,-0.00242747]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 33.70
G298 (kcal/mol) = 88.41

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(28); C7H11(22)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.637e+01 1.268e+00 -2.565e-01 -1.232e-02 / CHEB/ 2.944e+01 5.666e-01 1.342e-01 -4.060e-02 / CHEB/ -4.358e-01 1.346e-01 7.064e-02 1.073e-02 / CHEB/ -8.539e-02 -2.558e-02 9.536e-03 1.506e-02 / CHEB/ 2.216e-02 -4.176e-02 -1.274e-02 4.634e-03 / CHEB/ 2.564e-02 -1.434e-02 -9.420e-03 -2.427e-03 /

736.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.4	-5.4	+0.3	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-4.7	+1.2	+4.0

Chebyshev(coeffs=[[-22.5183,0.987838,-0.236938,0.0196238],[25.9806,0.71965,0.0548213,-0.0686254],[-0.362388,0.210046,0.078033,-0.00904668],[-0.0928329,-0.00887657,0.0328105,0.015354],[0.0108795,-0.0471369,-0.00203801,0.0114852],[0.0231,-0.0216326,-0.0103549,0.00144792]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.60
S298 (cal/mol*K) = 23.61
G298 (kcal/mol) = 78.56

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(33); C7H11(22)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.252e+01 9.878e-01 -2.369e-01 1.962e-02 / CHEB/ 2.598e+01 7.197e-01 5.482e-02 -6.863e-02 / CHEB/ -3.624e-01 2.100e-01 7.803e-02 -9.047e-03 / CHEB/ -9.283e-02 -8.877e-03 3.281e-02 1.535e-02 / CHEB/ 1.088e-02 -4.714e-02 -2.038e-03 1.149e-02 / CHEB/ 2.310e-02 -2.163e-02 -1.035e-02 1.448e-03 /

737.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.3	-9.6	-2.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-31.8	-8.7	-1.2	+2.6

Chebyshev(coeffs=[[-31.0214,1.4542,-0.234371,-0.0356455],[32.8823,0.453004,0.156468,-0.00888211],[-0.325838,0.0853139,0.053966,0.0183825],[-0.0457745,-0.0320292,-0.00359959,0.00953444],[0.0387607,-0.0338703,-0.0152129,-0.00102752],[0.031727,-0.00851561,-0.00689794,-0.00363897]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 30.61
G298 (kcal/mol) = 99.88

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(32); C7H11(22)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.102e+01 1.454e+00 -2.344e-01 -3.565e-02 / CHEB/ 3.288e+01 4.530e-01 1.565e-01 -8.882e-03 / CHEB/ -3.258e-01 8.531e-02 5.397e-02 1.838e-02 / CHEB/ -4.577e-02 -3.203e-02 -3.600e-03 9.534e-03 / CHEB/ 3.876e-02 -3.387e-02 -1.521e-02 -1.028e-03 / CHEB/ 3.173e-02 -8.516e-03 -6.898e-03 -3.639e-03 /

738.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.0	-10.3	-2.8	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-32.5	-9.4	-1.9	+1.9

Chebyshev(coeffs=[[-31.753,1.45376,-0.23458,-0.0356727],[32.9558,0.452451,0.156267,-0.00890251],[-0.312874,0.0859272,0.0541112,0.0183028],[-0.0398563,-0.0316984,-0.00344696,0.00955371],[0.0412068,-0.0339946,-0.0151978,-0.000967583],[0.0323721,-0.00864179,-0.00693838,-0.00362405]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(34); C7H11(22)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.175e+01 1.454e+00 -2.346e-01 -3.567e-02 / CHEB/ 3.296e+01 4.525e-01 1.563e-01 -8.903e-03 / CHEB/ -3.129e-01 8.593e-02 5.411e-02 1.830e-02 / CHEB/ -3.986e-02 -3.170e-02 -3.447e-03 9.554e-03 / CHEB/ 4.121e-02 -3.399e-02 -1.520e-02 -9.676e-04 / CHEB/ 3.237e-02 -8.642e-03 -6.938e-03 -3.624e-03 /

739.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-0.3	+3.3	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-0.1	+3.8	+5.6

Chebyshev(coeffs=[[-12.1108,0.410379,-0.0847154,0.00247956],[17.4252,0.681313,-0.117369,-0.00759576],[-0.425801,0.397785,-0.0300884,-0.0190526],[-0.198245,0.145031,0.0247799,-0.0158537],[-0.0600536,0.00875883,0.0317584,-0.0044992],[-0.00301329,-0.0272275,0.0146945,0.00351508]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.76
S298 (cal/mol*K) = 8.39
G298 (kcal/mol) = 30.26

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(267); C7H11(22)(+M)=>C7H11(267)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.211e+01 4.104e-01 -8.472e-02 2.480e-03 / CHEB/ 1.743e+01 6.813e-01 -1.174e-01 -7.596e-03 / CHEB/ -4.258e-01 3.978e-01 -3.009e-02 -1.905e-02 / CHEB/ -1.982e-01 1.450e-01 2.478e-02 -1.585e-02 / CHEB/ -6.005e-02 8.759e-03 3.176e-02 -4.499e-03 / CHEB/ -3.013e-03 -2.723e-02 1.469e-02 3.515e-03 /

740.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+4.7	+7.7	+8.8
log₁₀(k(10 bar)/[mole,m,s])	-5.6	+4.8	+8.1	+9.5

Chebyshev(coeffs=[[-5.05695,0.302268,-0.0617697,-6.70131e-05],[14.3933,0.536786,-0.101634,-0.00348386],[-0.385999,0.371826,-0.0519691,-0.00939636],[-0.208292,0.191167,-0.005986,-0.0112315],[-0.0891593,0.0604118,0.016204,-0.007257],[-0.0242555,-0.00241986,0.0160649,-0.00116328]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.28
S298 (cal/mol*K) = 11.83
G298 (kcal/mol) = 5.75

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(268); C7H11(22)(+M)=>C7H11(268)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.057e+00 3.023e-01 -6.177e-02 -6.701e-05 / CHEB/ 1.439e+01 5.368e-01 -1.016e-01 -3.484e-03 / CHEB/ -3.860e-01 3.718e-01 -5.197e-02 -9.396e-03 / CHEB/ -2.083e-01 1.912e-01 -5.986e-03 -1.123e-02 / CHEB/ -8.916e-02 6.041e-02 1.620e-02 -7.257e-03 / CHEB/ -2.426e-02 -2.420e-03 1.606e-02 -1.163e-03 /

742.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-3.9	+1.7	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-21.6	-3.5	+2.3	+5.0

Chebyshev(coeffs=[[-20.7453,0.812998,-0.265355,0.0312211],[25.2901,0.53738,-0.0193205,-0.0605658],[-0.236811,0.143475,0.0470633,-0.0152092],[-0.0824614,0.0130852,0.033359,0.00709982],[-0.0515977,0.00878422,0.011866,0.00612415],[-0.0503018,0.025652,0.00329119,-0.00017]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.40
S298 (cal/mol*K) = 25.11
G298 (kcal/mol) = 75.92

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), H(25); C7H10(21), C7H9(44); C7H10(21)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.075e+01 8.130e-01 -2.654e-01 3.122e-02 / CHEB/ 2.529e+01 5.374e-01 -1.932e-02 -6.057e-02 / CHEB/ -2.368e-01 1.435e-01 4.706e-02 -1.521e-02 / CHEB/ -8.246e-02 1.309e-02 3.336e-02 7.100e-03 / CHEB/ -5.160e-02 8.784e-03 1.187e-02 6.124e-03 / CHEB/ -5.030e-02 2.565e-02 3.291e-03 -1.700e-04 /

743.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-6.4	+0.2	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-27.0	-5.8	+0.9	+4.0

Chebyshev(coeffs=[[-26.1113,1.04415,-0.284055,0.00709693],[29.6873,0.524602,0.0534325,-0.0599529],[-0.301796,0.121154,0.0592058,-0.000692609],[-0.108448,0.00109985,0.0246144,0.0131682],[-0.0611491,0.00242704,0.00569322,0.00616667],[-0.0533538,0.0204284,0.0031741,-0.000777128]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 33.24
G298 (kcal/mol) = 88.55

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), H(25); C7H10(21), C7H9(45); C7H10(21)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.611e+01 1.044e+00 -2.841e-01 7.097e-03 / CHEB/ 2.969e+01 5.246e-01 5.343e-02 -5.995e-02 / CHEB/ -3.018e-01 1.212e-01 5.921e-02 -6.926e-04 / CHEB/ -1.084e-01 1.100e-03 2.461e-02 1.317e-02 / CHEB/ -6.115e-02 2.427e-03 5.693e-03 6.167e-03 / CHEB/ -5.335e-02 2.043e-02 3.174e-03 -7.771e-04 /

744.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.6	-6.2	+0.2	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-26.3	-5.6	+0.9	+3.9

Chebyshev(coeffs=[[-25.4514,1.01524,-0.283222,0.0105317],[28.9723,0.52869,0.0446202,-0.0614058],[-0.317041,0.124056,0.0585539,-0.00246862],[-0.116245,0.00257565,0.0260771,0.0127245],[-0.0648703,0.00349317,0.00649065,0.00628263],[-0.0544677,0.0212675,0.00319303,-0.000716424]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.40
S298 (cal/mol*K) = 32.32
G298 (kcal/mol) = 86.77

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), H(25); C7H10(21), C7H9(46); C7H10(21)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.545e+01 1.015e+00 -2.832e-01 1.053e-02 / CHEB/ 2.897e+01 5.287e-01 4.462e-02 -6.141e-02 / CHEB/ -3.170e-01 1.241e-01 5.855e-02 -2.469e-03 / CHEB/ -1.162e-01 2.576e-03 2.608e-02 1.272e-02 / CHEB/ -6.487e-02 3.493e-03 6.491e-03 6.283e-03 / CHEB/ -5.447e-02 2.127e-02 3.193e-03 -7.164e-04 /

745.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.5	-10.6	-3.0	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-34.1	-9.9	-2.2	+1.5

Chebyshev(coeffs=[[-33.055,1.25139,-0.273922,-0.0179784],[34.0482,0.490626,0.109833,-0.0414021],[-0.30586,0.0922765,0.0574885,0.0116634],[-0.0998195,-0.0144648,0.0114473,0.0141746],[-0.0529649,-0.0053641,-0.000551492,0.00387921],[-0.0501188,0.0153524,0.00305965,-0.00138505]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 112.50
S298 (cal/mol*K) = 30.61
G298 (kcal/mol) = 103.38

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), H(25); C7H10(21), C7H9(47); C7H10(21)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.306e+01 1.251e+00 -2.739e-01 -1.798e-02 / CHEB/ 3.405e+01 4.906e-01 1.098e-01 -4.140e-02 / CHEB/ -3.059e-01 9.228e-02 5.749e-02 1.166e-02 / CHEB/ -9.982e-02 -1.446e-02 1.145e-02 1.417e-02 / CHEB/ -5.296e-02 -5.364e-03 -5.515e-04 3.879e-03 / CHEB/ -5.012e-02 1.535e-02 3.060e-03 -1.385e-03 /

746.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-1.6	+3.1	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-1.4	+3.6	+5.8

Chebyshev(coeffs=[[-16.1503,0.636756,-0.228499,0.0399191],[21.6116,0.538962,-0.0759791,-0.0441173],[-0.291982,0.163417,0.0292337,-0.0244522],[-0.0928875,0.0206671,0.0357697,-0.000553309],[-0.0500419,0.00907847,0.0155795,0.00484563],[-0.0469895,0.0258165,0.00316828,0.000711101]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.87
S298 (cal/mol*K) = 13.20
G298 (kcal/mol) = 61.94

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(48); C7H10(21)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.615e+01 6.368e-01 -2.285e-01 3.992e-02 / CHEB/ 2.161e+01 5.390e-01 -7.598e-02 -4.412e-02 / CHEB/ -2.920e-01 1.634e-01 2.923e-02 -2.445e-02 / CHEB/ -9.289e-02 2.067e-02 3.577e-02 -5.533e-04 / CHEB/ -5.004e-02 9.078e-03 1.558e-02 4.846e-03 / CHEB/ -4.699e-02 2.582e-02 3.168e-03 7.111e-04 /

747.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.7	-3.1	+2.4	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-2.8	+2.9	+5.6

Chebyshev(coeffs=[[-19.7101,0.789881,-0.261471,0.0329587],[24.8145,0.539037,-0.0269328,-0.0593443],[-0.236257,0.145587,0.0453123,-0.0165766],[-0.0835155,0.0137659,0.0339312,0.00631035],[-0.0518224,0.00903534,0.012349,0.0060403],[-0.0499741,0.025954,0.00325862,-9.62898e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.87
S298 (cal/mol*K) = 13.20
G298 (kcal/mol) = 61.94

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(49); C7H10(21)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.971e+01 7.899e-01 -2.615e-01 3.296e-02 / CHEB/ 2.481e+01 5.390e-01 -2.693e-02 -5.934e-02 / CHEB/ -2.363e-01 1.456e-01 4.531e-02 -1.658e-02 / CHEB/ -8.352e-02 1.377e-02 3.393e-02 6.310e-03 / CHEB/ -5.182e-02 9.035e-03 1.235e-02 6.040e-03 / CHEB/ -4.997e-02 2.595e-02 3.259e-03 -9.629e-05 /

748.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.1	-2.4	+2.8	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-19.0	-2.1	+3.4	+5.9

Chebyshev(coeffs=[[-18.0744,0.720428,-0.246121,0.0367319],[23.4622,0.550914,-0.0504948,-0.05409],[-0.180857,0.155352,0.0401871,-0.0208048],[-0.0729812,0.0163161,0.0360593,0.00370407],[-0.0487037,0.00932697,0.0139629,0.00588734],[-0.0476482,0.0263978,0.00315753,0.000294026]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.17
S298 (cal/mol*K) = 12.47
G298 (kcal/mol) = 57.46

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(50); C7H10(21)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.807e+01 7.204e-01 -2.461e-01 3.673e-02 / CHEB/ 2.346e+01 5.509e-01 -5.049e-02 -5.409e-02 / CHEB/ -1.809e-01 1.554e-01 4.019e-02 -2.080e-02 / CHEB/ -7.298e-02 1.632e-02 3.606e-02 3.704e-03 / CHEB/ -4.870e-02 9.327e-03 1.396e-02 5.887e-03 / CHEB/ -4.765e-02 2.640e-02 3.158e-03 2.940e-04 /

749.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.9	-1.3	+2.9	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-1.1	+3.3	+5.3

Chebyshev(coeffs=[[-14.1818,0.502951,-0.188369,0.0377312],[19.1514,0.526979,-0.115218,-0.0221139],[-0.256142,0.184331,0.00834572,-0.0269339],[-0.0806267,0.0308103,0.0340143,-0.0082681],[-0.0404329,0.00824029,0.0182693,0.00219617],[-0.039212,0.0228442,0.0035215,0.00158614]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.17
S298 (cal/mol*K) = 12.47
G298 (kcal/mol) = 57.46

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(51); C7H10(21)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.418e+01 5.030e-01 -1.884e-01 3.773e-02 / CHEB/ 1.915e+01 5.270e-01 -1.152e-01 -2.211e-02 / CHEB/ -2.561e-01 1.843e-01 8.346e-03 -2.693e-02 / CHEB/ -8.063e-02 3.081e-02 3.401e-02 -8.268e-03 / CHEB/ -4.043e-02 8.240e-03 1.827e-02 2.196e-03 / CHEB/ -3.921e-02 2.284e-02 3.521e-03 1.586e-03 /

750.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-1.7	+2.6	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-1.5	+3.0	+5.1

Chebyshev(coeffs=[[-14.8621,0.526832,-0.19604,0.0385865],[19.6242,0.531522,-0.109107,-0.026399],[-0.251291,0.180058,0.0128467,-0.0270296],[-0.081636,0.0282077,0.0348214,-0.0068216],[-0.0421915,0.00834629,0.0177728,0.00287498],[-0.0405325,0.0236585,0.00335779,0.00145964]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.77
S298 (cal/mol*K) = 12.47
G298 (kcal/mol) = 59.06

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(52); C7H10(21)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.486e+01 5.268e-01 -1.960e-01 3.859e-02 / CHEB/ 1.962e+01 5.315e-01 -1.091e-01 -2.640e-02 / CHEB/ -2.513e-01 1.801e-01 1.285e-02 -2.703e-02 / CHEB/ -8.164e-02 2.821e-02 3.482e-02 -6.822e-03 / CHEB/ -4.219e-02 8.346e-03 1.777e-02 2.875e-03 / CHEB/ -4.053e-02 2.366e-02 3.358e-03 1.460e-03 /

751.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	+2.0	+6.5	+8.5
log₁₀(k(10 bar)/[mole,m,s])	-12.3	+2.2	+6.9	+9.0

Chebyshev(coeffs=[[-11.4804,0.544854,-0.201234,0.0388159],[20.0947,0.536672,-0.104912,-0.0294359],[-0.207655,0.176855,0.0163268,-0.0269888],[-0.0753052,0.0258124,0.0355823,-0.00569971],[-0.0423066,0.00838005,0.0173682,0.00339779],[-0.0406678,0.0243524,0.00319448,0.00135951]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.44
S298 (cal/mol*K) = 22.08
G298 (kcal/mol) = 57.86

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(53); C7H10(21)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.148e+01 5.449e-01 -2.012e-01 3.882e-02 / CHEB/ 2.009e+01 5.367e-01 -1.049e-01 -2.944e-02 / CHEB/ -2.077e-01 1.769e-01 1.633e-02 -2.699e-02 / CHEB/ -7.531e-02 2.581e-02 3.558e-02 -5.700e-03 / CHEB/ -4.231e-02 8.380e-03 1.737e-02 3.398e-03 / CHEB/ -4.067e-02 2.435e-02 3.194e-03 1.360e-03 /

752.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+5.9	+7.8	+8.7
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+5.9	+8.0	+9.0

Chebyshev(coeffs=[[0.440411,0.157927,-0.0600888,0.0104464],[8.16,0.283183,-0.104259,0.0162505],[-0.0114661,0.203376,-0.066483,0.00596254],[-0.0512184,0.115575,-0.0276566,-0.00288393],[-0.0336958,0.051155,-0.00309874,-0.00609187],[-0.0171466,0.0181898,0.00516608,-0.0045617]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.31
S298 (cal/mol*K) = -2.22
G298 (kcal/mol) = 24.97

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(33); C7H10(21)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.404e-01 1.579e-01 -6.009e-02 1.045e-02 / CHEB/ 8.160e+00 2.832e-01 -1.043e-01 1.625e-02 / CHEB/ -1.147e-02 2.034e-01 -6.648e-02 5.963e-03 / CHEB/ -5.122e-02 1.156e-01 -2.766e-02 -2.884e-03 / CHEB/ -3.370e-02 5.115e-02 -3.099e-03 -6.092e-03 / CHEB/ -1.715e-02 1.819e-02 5.166e-03 -4.562e-03 /

753.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-1.1	+4.2	+6.7
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-0.8	+4.8	+7.4

Chebyshev(coeffs=[[-17.005,0.739163,-0.247822,0.0355093],[23.783,0.560634,-0.0447568,-0.0560102],[-0.139941,0.157285,0.0432991,-0.0201409],[-0.0628141,0.016555,0.0366952,0.00461905],[-0.0465612,0.00932286,0.0138817,0.00624619],[-0.0475362,0.0261925,0.00321328,0.000343654]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.77
S298 (cal/mol*K) = 22.81
G298 (kcal/mol) = 68.97

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(54); C7H10(21)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.701e+01 7.392e-01 -2.478e-01 3.551e-02 / CHEB/ 2.378e+01 5.606e-01 -4.476e-02 -5.601e-02 / CHEB/ -1.399e-01 1.573e-01 4.330e-02 -2.014e-02 / CHEB/ -6.281e-02 1.656e-02 3.670e-02 4.619e-03 / CHEB/ -4.656e-02 9.323e-03 1.388e-02 6.246e-03 / CHEB/ -4.754e-02 2.619e-02 3.213e-03 3.437e-04 /

754.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	+0.7	+5.5	+7.7
log₁₀(k(10 bar)/[mole,m,s])	-14.5	+0.9	+5.9	+8.3

Chebyshev(coeffs=[[-13.5618,0.608154,-0.216624,0.0386568],[21.2937,0.556603,-0.0875207,-0.0396645],[-0.138512,0.173674,0.0273228,-0.026261],[-0.0580069,0.0229834,0.0376921,-0.00209473],[-0.0403443,0.00899691,0.0167685,0.00488015],[-0.0425877,0.0255953,0.00327073,0.00116655]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.86
S298 (cal/mol*K) = 17.97
G298 (kcal/mol) = 62.50

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(55); C7H10(21)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.356e+01 6.082e-01 -2.166e-01 3.866e-02 / CHEB/ 2.129e+01 5.566e-01 -8.752e-02 -3.966e-02 / CHEB/ -1.385e-01 1.737e-01 2.732e-02 -2.626e-02 / CHEB/ -5.801e-02 2.298e-02 3.769e-02 -2.095e-03 / CHEB/ -4.034e-02 8.997e-03 1.677e-02 4.880e-03 / CHEB/ -4.259e-02 2.560e-02 3.271e-03 1.167e-03 /

755.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.5	-1.8	+4.5	+7.3
log₁₀(k(10 bar)/[mole,m,s])	-21.3	-1.3	+5.1	+8.1

Chebyshev(coeffs=[[-20.291,0.947778,-0.278483,0.0183312],[27.8782,0.540895,0.0239049,-0.0635441],[-0.21078,0.132879,0.0569839,-0.00680073],[-0.0869205,0.00671357,0.0296121,0.011441],[-0.0562708,0.00564665,0.00844594,0.00654603],[-0.0517094,0.0228331,0.00318275,-0.000494856]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.08
S298 (cal/mol*K) = 23.71
G298 (kcal/mol) = 64.01

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(56); C7H10(21)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.029e+01 9.478e-01 -2.785e-01 1.833e-02 / CHEB/ 2.788e+01 5.409e-01 2.390e-02 -6.354e-02 / CHEB/ -2.108e-01 1.329e-01 5.698e-02 -6.801e-03 / CHEB/ -8.692e-02 6.714e-03 2.961e-02 1.144e-02 / CHEB/ -5.627e-02 5.647e-03 8.446e-03 6.546e-03 / CHEB/ -5.171e-02 2.283e-02 3.183e-03 -4.949e-04 /

829.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	+0.1	+2.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-10.3	+0.2	+2.8	+3.4

Chebyshev(coeffs=[[-9.69069,0.0252646,-0.232002,0.00900741],[13.5236,0.998876,-0.0621744,-0.0466417],[-0.574059,0.452687,0.0601206,-0.000217043],[-0.440043,0.103544,0.055346,0.00260217],[-0.226612,0.00108448,0.0287964,0.00306511],[-0.0746979,-0.000752806,0.00444847,0.00330723]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.45
S298 (cal/mol*K) = 32.42
G298 (kcal/mol) = 33.79

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C3H5(98); C7H10(18), C4H5(99); C7H10(18)(+M)=>C3H5(98)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.691e+00 2.526e-02 -2.320e-01 9.007e-03 / CHEB/ 1.352e+01 9.989e-01 -6.217e-02 -4.664e-02 / CHEB/ -5.741e-01 4.527e-01 6.012e-02 -2.170e-04 / CHEB/ -4.400e-01 1.035e-01 5.535e-02 2.602e-03 / CHEB/ -2.266e-01 1.084e-03 2.880e-02 3.065e-03 / CHEB/ -7.470e-02 -7.528e-04 4.448e-03 3.307e-03 /

830.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	+1.9	+3.6	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-7.3	+1.9	+4.0	+4.5

Chebyshev(coeffs=[[-6.54311,-0.0948961,-0.175253,0.0220356],[11.3917,0.922748,-0.130949,-0.050977],[-0.452345,0.465014,0.0518984,-0.00800715],[-0.431305,0.130823,0.0533243,0.00702896],[-0.239743,0.017129,0.0280421,0.00383699],[-0.0822861,0.00354223,0.00607159,0.000481881]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.25
S298 (cal/mol*K) = 33.43
G298 (kcal/mol) = 25.29

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C5H7(210); C7H10(18), C2H3(100); C7H10(18)(+M)=>C5H7(210)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.543e+00 -9.490e-02 -1.753e-01 2.204e-02 / CHEB/ 1.139e+01 9.227e-01 -1.309e-01 -5.098e-02 / CHEB/ -4.523e-01 4.650e-01 5.190e-02 -8.007e-03 / CHEB/ -4.313e-01 1.308e-01 5.332e-02 7.029e-03 / CHEB/ -2.397e-01 1.713e-02 2.804e-02 3.837e-03 / CHEB/ -8.229e-02 3.542e-03 6.072e-03 4.819e-04 /

831.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-6.3	-2.7	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-5.8	-1.9	-0.5

Chebyshev(coeffs=[[-20.0875,0.459168,-0.30123,-0.0275037],[19.8757,1.09037,0.0516902,-0.0210245],[-0.66889,0.335422,0.113544,-0.00567814],[-0.374786,-0.0109945,0.0560749,0.0137792],[-0.157187,-0.0385991,0.00724366,0.0137718],[-0.046782,0.000435356,-0.00677253,0.00280093]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.50
S298 (cal/mol*K) = 24.35
G298 (kcal/mol) = 58.24

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(101); C7H10(18)(+M)=>H(25)+C7H9(101)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.009e+01 4.592e-01 -3.012e-01 -2.750e-02 / CHEB/ 1.988e+01 1.090e+00 5.169e-02 -2.102e-02 / CHEB/ -6.689e-01 3.354e-01 1.135e-01 -5.678e-03 / CHEB/ -3.748e-01 -1.099e-02 5.607e-02 1.378e-02 / CHEB/ -1.572e-01 -3.860e-02 7.244e-03 1.377e-02 / CHEB/ -4.678e-02 4.354e-04 -6.773e-03 2.801e-03 /

832.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-6.3	-2.7	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-5.8	-1.9	-0.5

H298 (kcal/mol) = 65.50
S298 (cal/mol*K) = 24.35
G298 (kcal/mol) = 58.24

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(102); C7H10(18)(+M)=>H(25)+C7H9(102)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.009e+01 4.592e-01 -3.012e-01 -2.750e-02 / CHEB/ 1.988e+01 1.090e+00 5.169e-02 -2.102e-02 / CHEB/ -6.689e-01 3.354e-01 1.135e-01 -5.678e-03 / CHEB/ -3.748e-01 -1.099e-02 5.607e-02 1.378e-02 / CHEB/ -1.572e-01 -3.860e-02 7.244e-03 1.377e-02 / CHEB/ -4.678e-02 4.354e-04 -6.773e-03 2.801e-03 /

833.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.5	-4.4	-0.5	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-19.5	-3.7	+0.4	+1.9

Chebyshev(coeffs=[[-19.3156,0.711055,-0.329019,-0.0298322],[21.6737,1.0359,0.126747,-0.0325842],[-0.879567,0.234373,0.128608,0.0113194],[-0.393439,-0.054492,0.0318756,0.0240297],[-0.148702,-0.0365044,-0.00840777,0.00937839],[-0.0450819,0.00822325,-0.00636091,-0.00227053]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.65
S298 (cal/mol*K) = 40.36
G298 (kcal/mol) = 61.62

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C5H7(103); C7H10(18), C2H3(100); C7H10(18)(+M)=>C5H7(103)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.932e+01 7.111e-01 -3.290e-01 -2.983e-02 / CHEB/ 2.167e+01 1.036e+00 1.267e-01 -3.258e-02 / CHEB/ -8.796e-01 2.344e-01 1.286e-01 1.132e-02 / CHEB/ -3.934e-01 -5.449e-02 3.188e-02 2.403e-02 / CHEB/ -1.487e-01 -3.650e-02 -8.408e-03 9.378e-03 / CHEB/ -4.508e-02 8.223e-03 -6.361e-03 -2.271e-03 /

834.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-3.3	-0.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-2.9	+0.6	+1.8

Chebyshev(coeffs=[[-15.6869,0.267001,-0.280122,-0.0199931],[17.7042,1.07546,0.00715797,-0.0212506],[-0.568755,0.402811,0.0875964,-0.00600658],[-0.386308,0.0399381,0.0620664,0.0035835],[-0.178887,-0.027221,0.0207399,0.0104342],[-0.0543029,-0.0037639,-0.00251925,0.00573916]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.30
S298 (cal/mol*K) = 23.25
G298 (kcal/mol) = 49.37

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(104); C7H10(18)(+M)=>H(25)+C7H9(104)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.569e+01 2.670e-01 -2.801e-01 -1.999e-02 / CHEB/ 1.770e+01 1.075e+00 7.158e-03 -2.125e-02 / CHEB/ -5.688e-01 4.028e-01 8.760e-02 -6.007e-03 / CHEB/ -3.863e-01 3.994e-02 6.207e-02 3.583e-03 / CHEB/ -1.789e-01 -2.722e-02 2.074e-02 1.043e-02 / CHEB/ -5.430e-02 -3.764e-03 -2.519e-03 5.739e-03 /

835.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-3.3	-0.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-2.9	+0.6	+1.8

H298 (kcal/mol) = 56.30
S298 (cal/mol*K) = 23.25
G298 (kcal/mol) = 49.37

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(105); C7H10(18)(+M)=>H(25)+C7H9(105)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.569e+01 2.670e-01 -2.801e-01 -1.999e-02 / CHEB/ 1.770e+01 1.075e+00 7.158e-03 -2.125e-02 / CHEB/ -5.688e-01 4.028e-01 8.760e-02 -6.007e-03 / CHEB/ -3.863e-01 3.994e-02 6.207e-02 3.583e-03 / CHEB/ -1.789e-01 -2.722e-02 2.074e-02 1.043e-02 / CHEB/ -5.430e-02 -3.764e-03 -2.519e-03 5.739e-03 /

836.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-5.8	-2.0	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-5.3	-1.2	+0.3

Chebyshev(coeffs=[[-19.9571,0.510775,-0.306906,-0.0279649],[20.5221,1.08627,0.0655478,-0.0233841],[-0.662667,0.314687,0.118997,-0.00348763],[-0.362929,-0.0224921,0.052249,0.0166701],[-0.149604,-0.0394536,0.00347319,0.0135869],[-0.0443633,0.00208599,-0.00723741,0.00166222]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.70
S298 (cal/mol*K) = 23.93
G298 (kcal/mol) = 60.57

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(106); C7H10(18)(+M)=>H(25)+C7H9(106)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.996e+01 5.108e-01 -3.069e-01 -2.796e-02 / CHEB/ 2.052e+01 1.086e+00 6.555e-02 -2.338e-02 / CHEB/ -6.627e-01 3.147e-01 1.190e-01 -3.488e-03 / CHEB/ -3.629e-01 -2.249e-02 5.225e-02 1.667e-02 / CHEB/ -1.496e-01 -3.945e-02 3.473e-03 1.359e-02 / CHEB/ -4.436e-02 2.086e-03 -7.237e-03 1.662e-03 /

837.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-5.8	-2.0	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-5.3	-1.2	+0.3

H298 (kcal/mol) = 67.70
S298 (cal/mol*K) = 23.93
G298 (kcal/mol) = 60.57

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(107); C7H10(18)(+M)=>H(25)+C7H9(107)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.996e+01 5.108e-01 -3.069e-01 -2.796e-02 / CHEB/ 2.052e+01 1.086e+00 6.555e-02 -2.338e-02 / CHEB/ -6.627e-01 3.147e-01 1.190e-01 -3.488e-03 / CHEB/ -3.629e-01 -2.249e-02 5.225e-02 1.667e-02 / CHEB/ -1.496e-01 -3.945e-02 3.473e-03 1.359e-02 / CHEB/ -4.436e-02 2.086e-03 -7.237e-03 1.662e-03 /

838.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+3.5	+6.0	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-3.4	+3.8	+6.8	+7.8

Chebyshev(coeffs=[[-1.54489,0.160457,-0.0768424,-0.060754],[7.55159,0.904111,-0.118595,0.00652026],[0.951861,0.730165,-0.0656645,-0.0266928],[0.0592506,0.19049,0.0578485,-0.00923245],[-0.120884,-0.116559,0.0564373,0.0353126],[-0.0961093,-0.141136,0.00692392,0.020873]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.61
S298 (cal/mol*K) = -2.60
G298 (kcal/mol) = 0.16

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(108); C7H10(18)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.545e+00 1.605e-01 -7.684e-02 -6.075e-02 / CHEB/ 7.552e+00 9.041e-01 -1.186e-01 6.520e-03 / CHEB/ 9.519e-01 7.302e-01 -6.566e-02 -2.669e-02 / CHEB/ 5.925e-02 1.905e-01 5.785e-02 -9.232e-03 / CHEB/ -1.209e-01 -1.166e-01 5.644e-02 3.531e-02 / CHEB/ -9.611e-02 -1.411e-01 6.924e-03 2.087e-02 /

839.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-0.2	+2.1	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-0.1	+2.6	+3.4

Chebyshev(coeffs=[[-10.0516,-0.00260674,-0.221921,0.0129458],[13.6384,0.984933,-0.0748961,-0.0495571],[-0.423732,0.456077,0.0581119,-0.000782036],[-0.401753,0.110048,0.0544531,0.00353627],[-0.21761,0.00473594,0.0288676,0.00275001],[-0.0721766,0.000127501,0.00501332,0.00263161]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.02
S298 (cal/mol*K) = 7.89
G298 (kcal/mol) = 33.67

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(109); C7H10(18)(+M)=>C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.005e+01 -2.607e-03 -2.219e-01 1.295e-02 / CHEB/ 1.364e+01 9.849e-01 -7.490e-02 -4.956e-02 / CHEB/ -4.237e-01 4.561e-01 5.811e-02 -7.820e-04 / CHEB/ -4.018e-01 1.100e-01 5.445e-02 3.536e-03 / CHEB/ -2.176e-01 4.736e-03 2.887e-02 2.750e-03 / CHEB/ -7.218e-02 1.275e-04 5.013e-03 2.632e-03 /

840.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.8	-6.0	-3.5	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-5.9	-3.0	-2.1

Chebyshev(coeffs=[[-16.3889,0.044933,-0.238264,0.00614946],[14.4913,1.00787,-0.0541278,-0.0443096],[-0.445293,0.450039,0.0616905,-0.000116279],[-0.397961,0.0988419,0.0560423,0.00204112],[-0.210067,-0.00148345,0.0286447,0.00341555],[-0.068434,-0.00132704,0.00399932,0.00375687]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.83
S298 (cal/mol*K) = 1.78
G298 (kcal/mol) = 22.30

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(110); C7H10(18)(+M)=>C7H10(110)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.639e+01 4.493e-02 -2.383e-01 6.149e-03 / CHEB/ 1.449e+01 1.008e+00 -5.413e-02 -4.431e-02 / CHEB/ -4.453e-01 4.500e-01 6.169e-02 -1.163e-04 / CHEB/ -3.980e-01 9.884e-02 5.604e-02 2.041e-03 / CHEB/ -2.101e-01 -1.483e-03 2.864e-02 3.416e-03 / CHEB/ -6.843e-02 -1.327e-03 3.999e-03 3.757e-03 /

841.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-1.3	+1.0	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-1.3	+1.4	+2.2

Chebyshev(coeffs=[[-10.826,-0.118135,-0.235781,0.003026],[13.179,0.952276,-0.0763591,-0.0414374],[-0.352407,0.443283,0.0384404,-0.00836108],[-0.359211,0.125092,0.0489285,0.00334355],[-0.20994,0.020727,0.0310406,0.00410074],[-0.0731737,0.00742386,0.00831592,0.00247341]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.22
S298 (cal/mol*K) = 7.47
G298 (kcal/mol) = 35.99

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(111); C7H10(18)(+M)=>C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.083e+01 -1.181e-01 -2.358e-01 3.026e-03 / CHEB/ 1.318e+01 9.523e-01 -7.636e-02 -4.144e-02 / CHEB/ -3.524e-01 4.433e-01 3.844e-02 -8.361e-03 / CHEB/ -3.592e-01 1.251e-01 4.893e-02 3.344e-03 / CHEB/ -2.099e-01 2.073e-02 3.104e-02 4.101e-03 / CHEB/ -7.317e-02 7.424e-03 8.316e-03 2.473e-03 /

842.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-3.4	-1.1	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-3.4	-0.7	+0.0

Chebyshev(coeffs=[[-12.8116,-0.0500584,-0.200878,0.018792],[13.0153,0.956901,-0.100701,-0.052543],[-0.333801,0.461002,0.0550456,-0.00323466],[-0.385729,0.120812,0.0533919,0.00535674],[-0.218636,0.011035,0.028619,0.00282761],[-0.0737011,0.0017941,0.00573898,0.00145581]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.29
S298 (cal/mol*K) = 3.72
G298 (kcal/mol) = 28.18

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(112); C7H10(18)(+M)=>C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.281e+01 -5.006e-02 -2.009e-01 1.879e-02 / CHEB/ 1.302e+01 9.569e-01 -1.007e-01 -5.254e-02 / CHEB/ -3.338e-01 4.610e-01 5.505e-02 -3.235e-03 / CHEB/ -3.857e-01 1.208e-01 5.339e-02 5.357e-03 / CHEB/ -2.186e-01 1.104e-02 2.862e-02 2.828e-03 / CHEB/ -7.370e-02 1.794e-03 5.739e-03 1.456e-03 /

843.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-1.3	+0.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-1.5	+0.6	+1.1

Chebyshev(coeffs=[[-8.1956,-0.187702,-0.0828706,-0.00573675],[9.2583,0.715003,-0.217117,0.0112554],[-0.0495014,0.485655,0.0144708,-0.0384796],[-0.35351,0.159826,0.0631173,0.00190963],[-0.227225,0.0336826,0.0299395,0.0135513],[-0.0804483,0.00922718,0.00355008,0.00205502]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.70
S298 (cal/mol*K) = -1.26
G298 (kcal/mol) = 21.07

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(113); C7H10(18)(+M)=>C7H10(113)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.196e+00 -1.877e-01 -8.287e-02 -5.737e-03 / CHEB/ 9.258e+00 7.150e-01 -2.171e-01 1.126e-02 / CHEB/ -4.950e-02 4.857e-01 1.447e-02 -3.848e-02 / CHEB/ -3.535e-01 1.598e-01 6.312e-02 1.910e-03 / CHEB/ -2.272e-01 3.368e-02 2.994e-02 1.355e-02 / CHEB/ -8.045e-02 9.227e-03 3.550e-03 2.055e-03 /

844.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-0.6	+1.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-0.7	+1.7	+2.3

Chebyshev(coeffs=[[-7.96902,-0.143725,-0.0949122,-0.000475586],[10.0836,0.814818,-0.209608,-0.00278936],[0.0652854,0.509888,0.0351568,-0.035286],[-0.338659,0.156248,0.0664146,0.00682786],[-0.224358,0.0269519,0.0285227,0.0118866],[-0.078905,0.00502415,0.00391111,0.000409765]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.43
S298 (cal/mol*K) = 2.53
G298 (kcal/mol) = 17.68

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(114); C7H10(18)(+M)=>C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.969e+00 -1.437e-01 -9.491e-02 -4.756e-04 / CHEB/ 1.008e+01 8.148e-01 -2.096e-01 -2.789e-03 / CHEB/ 6.529e-02 5.099e-01 3.516e-02 -3.529e-02 / CHEB/ -3.387e-01 1.562e-01 6.641e-02 6.828e-03 / CHEB/ -2.244e-01 2.695e-02 2.852e-02 1.189e-02 / CHEB/ -7.890e-02 5.024e-03 3.911e-03 4.098e-04 /

845.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	+0.8	+4.1	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-10.3	+1.4	+4.9	+6.3

Chebyshev(coeffs=[[-8.55641,0.286668,-0.175407,-0.0134151],[13.5392,1.35092,-0.157455,-0.0633326],[0.800983,0.377062,0.180408,-0.0103684],[-0.237398,-0.114824,0.0950489,0.0322207],[-0.177489,-0.0887926,-0.0241188,0.0183495],[-0.0555852,-0.0100658,-0.026511,-0.000524714]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.03
S298 (cal/mol*K) = 1.36
G298 (kcal/mol) = 24.63

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(115); C7H10(18)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.556e+00 2.867e-01 -1.754e-01 -1.342e-02 / CHEB/ 1.354e+01 1.351e+00 -1.575e-01 -6.333e-02 / CHEB/ 8.010e-01 3.771e-01 1.804e-01 -1.037e-02 / CHEB/ -2.374e-01 -1.148e-01 9.505e-02 3.222e-02 / CHEB/ -1.775e-01 -8.879e-02 -2.412e-02 1.835e-02 / CHEB/ -5.559e-02 -1.007e-02 -2.651e-02 -5.247e-04 /

846.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-1.8	+0.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-1.8	+0.5	+1.1

Chebyshev(coeffs=[[-9.64785,-0.157758,-0.124876,0.0163011],[10.8038,0.842656,-0.185536,-0.030879],[-0.152083,0.472233,0.0418348,-0.0221725],[-0.362146,0.146011,0.0565223,0.00773744],[-0.225391,0.0265394,0.0273037,0.00778643],[-0.0789301,0.00647862,0.00552318,3.86747e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.09
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = 19.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(116); C7H10(18)(+M)=>C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.648e+00 -1.578e-01 -1.249e-01 1.630e-02 / CHEB/ 1.080e+01 8.427e-01 -1.855e-01 -3.088e-02 / CHEB/ -1.521e-01 4.722e-01 4.183e-02 -2.217e-02 / CHEB/ -3.621e-01 1.460e-01 5.652e-02 7.737e-03 / CHEB/ -2.254e-01 2.654e-02 2.730e-02 7.786e-03 / CHEB/ -7.893e-02 6.479e-03 5.523e-03 3.867e-05 /

847.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-2.8	-0.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-2.9	-0.6	-0.0

Chebyshev(coeffs=[[-10.6857,-0.155829,-0.126822,0.0168517],[10.7387,0.846436,-0.183607,-0.0321314],[-0.183313,0.47188,0.0424464,-0.02151],[-0.370579,0.145471,0.0563152,0.00779801],[-0.227922,0.026214,0.0272978,0.00758834],[-0.0797647,0.00636966,0.00557308,1.58916e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.23
S298 (cal/mol*K) = -1.66
G298 (kcal/mol) = 20.72

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(117); C7H10(18)(+M)=>C7H10(117)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.069e+01 -1.558e-01 -1.268e-01 1.685e-02 / CHEB/ 1.074e+01 8.464e-01 -1.836e-01 -3.213e-02 / CHEB/ -1.833e-01 4.719e-01 4.245e-02 -2.151e-02 / CHEB/ -3.706e-01 1.455e-01 5.632e-02 7.798e-03 / CHEB/ -2.279e-01 2.621e-02 2.730e-02 7.588e-03 / CHEB/ -7.976e-02 6.370e-03 5.573e-03 1.589e-05 /

848.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-1.8	+0.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-1.8	+0.5	+1.1

H298 (kcal/mol) = 20.09
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = 19.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(118); C7H10(18)(+M)=>C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.648e+00 -1.578e-01 -1.249e-01 1.630e-02 / CHEB/ 1.080e+01 8.427e-01 -1.855e-01 -3.088e-02 / CHEB/ -1.521e-01 4.722e-01 4.183e-02 -2.217e-02 / CHEB/ -3.621e-01 1.460e-01 5.652e-02 7.737e-03 / CHEB/ -2.254e-01 2.654e-02 2.730e-02 7.786e-03 / CHEB/ -7.893e-02 6.479e-03 5.523e-03 3.867e-05 /

849.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-2.6	-0.7	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-2.7	-0.4	+0.2

Chebyshev(coeffs=[[-10.2896,-0.16591,-0.116187,0.0134614],[10.5176,0.824533,-0.19386,-0.024725],[-0.138369,0.473965,0.0387156,-0.0252403],[-0.361679,0.148445,0.0575326,0.007337],[-0.226402,0.0279931,0.0273892,0.00872291],[-0.0795116,0.00697532,0.00526687,0.000189355]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.43
S298 (cal/mol*K) = -2.08
G298 (kcal/mol) = 23.05

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(119); C7H10(18)(+M)=>C7H10(119)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.029e+01 -1.659e-01 -1.162e-01 1.346e-02 / CHEB/ 1.052e+01 8.245e-01 -1.939e-01 -2.472e-02 / CHEB/ -1.384e-01 4.740e-01 3.872e-02 -2.524e-02 / CHEB/ -3.617e-01 1.484e-01 5.753e-02 7.337e-03 / CHEB/ -2.264e-01 2.799e-02 2.739e-02 8.723e-03 / CHEB/ -7.951e-02 6.975e-03 5.267e-03 1.894e-04 /

850.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-3.1	-0.8	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-3.1	-0.4	+0.3

Chebyshev(coeffs=[[-12.2571,-0.0690476,-0.190804,0.0205531],[12.7032,0.943623,-0.112748,-0.0525903],[-0.304784,0.462741,0.0538176,-0.004901],[-0.38158,0.125049,0.0532171,0.00609799],[-0.219801,0.0135904,0.0284072,0.00312581],[-0.0745934,0.00251307,0.00592887,0.00101326]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.49
S298 (cal/mol*K) = 3.30
G298 (kcal/mol) = 30.51

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(120); C7H10(18)(+M)=>C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.226e+01 -6.905e-02 -1.908e-01 2.055e-02 / CHEB/ 1.270e+01 9.436e-01 -1.127e-01 -5.259e-02 / CHEB/ -3.048e-01 4.627e-01 5.382e-02 -4.901e-03 / CHEB/ -3.816e-01 1.250e-01 5.322e-02 6.098e-03 / CHEB/ -2.198e-01 1.359e-02 2.841e-02 3.126e-03 / CHEB/ -7.459e-02 2.513e-03 5.929e-03 1.013e-03 /

851.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-1.3	+0.1	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-1.5	+0.3	+0.7

Chebyshev(coeffs=[[-6.83236,-0.164402,-0.0768749,-0.03012],[7.38682,0.498789,-0.177514,0.0479972],[0.120685,0.504228,-0.0486811,-0.0342438],[-0.327073,0.186612,0.0643811,-0.0185338],[-0.22019,0.0371515,0.0433446,0.0174726],[-0.0695854,0.0105283,0.00257187,0.00858446]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.83
S298 (cal/mol*K) = -23.42
G298 (kcal/mol) = -45.85

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(121); C7H10(18)(+M)=>C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.832e+00 -1.644e-01 -7.687e-02 -3.012e-02 / CHEB/ 7.387e+00 4.988e-01 -1.775e-01 4.800e-02 / CHEB/ 1.207e-01 5.042e-01 -4.868e-02 -3.424e-02 / CHEB/ -3.271e-01 1.866e-01 6.438e-02 -1.853e-02 / CHEB/ -2.202e-01 3.715e-02 4.334e-02 1.747e-02 / CHEB/ -6.959e-02 1.053e-02 2.572e-03 8.584e-03 /

852.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	+3.5	+5.9	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-7.1	+3.5	+6.3	+7.2

Chebyshev(coeffs=[[-6.13417,-0.02682,-0.203761,0.0171881],[13.3848,0.985005,-0.0944447,-0.0528351],[-0.268785,0.467492,0.0596618,-0.0022502],[-0.375688,0.117715,0.0551089,0.00534515],[-0.213963,0.00713325,0.0289422,0.00282827],[-0.0723964,-0.000207747,0.00539493,0.00179209]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.03
S298 (cal/mol*K) = 19.30
G298 (kcal/mol) = 29.28

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(122); C7H10(18)(+M)=>C7H10(122)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.134e+00 -2.682e-02 -2.038e-01 1.719e-02 / CHEB/ 1.338e+01 9.850e-01 -9.444e-02 -5.284e-02 / CHEB/ -2.688e-01 4.675e-01 5.966e-02 -2.250e-03 / CHEB/ -3.757e-01 1.177e-01 5.511e-02 5.345e-03 / CHEB/ -2.140e-01 7.133e-03 2.894e-02 2.828e-03 / CHEB/ -7.240e-02 -2.077e-04 5.395e-03 1.792e-03 /

853.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	+1.5	+4.3	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-10.4	+1.7	+4.8	+5.9

Chebyshev(coeffs=[[-9.59531,0.1087,-0.25473,-0.00296385],[15.634,1.03302,-0.0321497,-0.0362124],[-0.453746,0.439888,0.0676695,-0.00102321],[-0.386873,0.0829675,0.0584136,0.000940644],[-0.198117,-0.00962165,0.0275327,0.00508617],[-0.0629539,-0.00284555,0.00231324,0.00496677]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.48
S298 (cal/mol*K) = 16.67
G298 (kcal/mol) = 23.51

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(123); C7H10(18)(+M)=>C7H10(123)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.595e+00 1.087e-01 -2.547e-01 -2.964e-03 / CHEB/ 1.563e+01 1.033e+00 -3.215e-02 -3.621e-02 / CHEB/ -4.537e-01 4.399e-01 6.767e-02 -1.023e-03 / CHEB/ -3.869e-01 8.297e-02 5.841e-02 9.406e-04 / CHEB/ -1.981e-01 -9.622e-03 2.753e-02 5.086e-03 / CHEB/ -6.295e-02 -2.846e-03 2.313e-03 4.967e-03 /

854.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	+1.6	+4.0	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-8.9	+1.7	+4.5	+5.3

Chebyshev(coeffs=[[-8.00919,-0.0373907,-0.207039,0.0173933],[13.4254,0.965014,-0.0932368,-0.0520817],[-0.306165,0.459777,0.055843,-0.00236248],[-0.374758,0.117973,0.0535989,0.0048566],[-0.213322,0.00934797,0.0287262,0.00271996],[-0.0715086,0.00133169,0.0055779,0.00176501]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.21
S298 (cal/mol*K) = 21.06
G298 (kcal/mol) = 28.93

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(124); C7H10(18)(+M)=>C7H10(124)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.009e+00 -3.739e-02 -2.070e-01 1.739e-02 / CHEB/ 1.343e+01 9.650e-01 -9.324e-02 -5.208e-02 / CHEB/ -3.062e-01 4.598e-01 5.584e-02 -2.362e-03 / CHEB/ -3.748e-01 1.180e-01 5.360e-02 4.857e-03 / CHEB/ -2.133e-01 9.348e-03 2.873e-02 2.720e-03 / CHEB/ -7.151e-02 1.332e-03 5.578e-03 1.765e-03 /

855.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	+0.3	+2.5	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-9.7	+0.4	+2.9	+3.6

Chebyshev(coeffs=[[-8.88892,-0.0563366,-0.197664,0.019424],[12.7025,0.95267,-0.104565,-0.0526526],[-0.371014,0.461588,0.054646,-0.00373497],[-0.398114,0.122215,0.053315,0.00560404],[-0.223577,0.0118763,0.0285553,0.00290726],[-0.0755997,0.00202855,0.0058088,0.00130609]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.74
S298 (cal/mol*K) = 20.63
G298 (kcal/mol) = 26.59

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(125); C7H10(18)(+M)=>C7H10(125)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.889e+00 -5.634e-02 -1.977e-01 1.942e-02 / CHEB/ 1.270e+01 9.527e-01 -1.046e-01 -5.265e-02 / CHEB/ -3.710e-01 4.616e-01 5.465e-02 -3.735e-03 / CHEB/ -3.981e-01 1.222e-01 5.332e-02 5.604e-03 / CHEB/ -2.236e-01 1.188e-02 2.856e-02 2.907e-03 / CHEB/ -7.560e-02 2.029e-03 5.809e-03 1.306e-03 /

856.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-2.9	-0.4	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-2.8	+0.1	+0.9

Chebyshev(coeffs=[[-12.8909,0.00619841,-0.225268,0.011725],[13.9835,0.98951,-0.0707008,-0.0487011],[-0.387617,0.45505,0.0587225,-0.000543884],[-0.38922,0.108009,0.0547201,0.00322597],[-0.212294,0.00357774,0.0288636,0.00282437],[-0.0700964,-0.000159128,0.00484461,0.00284862]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.92
S298 (cal/mol*K) = -1.76
G298 (kcal/mol) = 34.44

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(126); C7H10(18)(+M)=>C7H10(126)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.289e+01 6.198e-03 -2.253e-01 1.173e-02 / CHEB/ 1.398e+01 9.895e-01 -7.070e-02 -4.870e-02 / CHEB/ -3.876e-01 4.550e-01 5.872e-02 -5.439e-04 / CHEB/ -3.892e-01 1.080e-01 5.472e-02 3.226e-03 / CHEB/ -2.123e-01 3.578e-03 2.886e-02 2.824e-03 / CHEB/ -7.010e-02 -1.591e-04 4.845e-03 2.849e-03 /

857.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-1.5	+1.0	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-1.4	+1.4	+2.3

Chebyshev(coeffs=[[-11.4889,0.00160212,-0.22354,0.0123653],[13.9446,0.98714,-0.0728703,-0.0491563],[-0.375356,0.455588,0.0584041,-0.000660263],[-0.386629,0.109079,0.0545768,0.00338596],[-0.212051,0.00418607,0.028867,0.00278229],[-0.0701141,-9.81019e-06,0.00493396,0.00273583]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.00
S298 (cal/mol*K) = 1.82
G298 (kcal/mol) = 37.46

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(127); C7H10(18)(+M)=>C7H10(127)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.149e+01 1.602e-03 -2.235e-01 1.237e-02 / CHEB/ 1.394e+01 9.871e-01 -7.287e-02 -4.916e-02 / CHEB/ -3.754e-01 4.556e-01 5.840e-02 -6.603e-04 / CHEB/ -3.866e-01 1.091e-01 5.458e-02 3.386e-03 / CHEB/ -2.121e-01 4.186e-03 2.887e-02 2.782e-03 / CHEB/ -7.011e-02 -9.810e-06 4.934e-03 2.736e-03 /

858.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-4.0	-1.9	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-3.9	-1.4	-0.9

Chebyshev(coeffs=[[-13.7722,0.036675,-0.235763,0.00734374],[13.4222,1.00407,-0.0573288,-0.0452867],[-0.646469,0.451233,0.0609397,-0.000149548],[-0.458517,0.10082,0.0557749,0.0022739],[-0.231398,-0.000402264,0.0287128,0.00325521],[-0.0760822,-0.0010888,0.00419323,0.00356955]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.12
S298 (cal/mol*K) = -0.79
G298 (kcal/mol) = 8.36

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(128); C7H10(18)(+M)=>C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.377e+01 3.668e-02 -2.358e-01 7.344e-03 / CHEB/ 1.342e+01 1.004e+00 -5.733e-02 -4.529e-02 / CHEB/ -6.465e-01 4.512e-01 6.094e-02 -1.495e-04 / CHEB/ -4.585e-01 1.008e-01 5.577e-02 2.274e-03 / CHEB/ -2.314e-01 -4.023e-04 2.871e-02 3.255e-03 / CHEB/ -7.608e-02 -1.089e-03 4.193e-03 3.570e-03 /

859.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-1.9	+2.2	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-15.4	-1.0	+3.1	+4.7

Chebyshev(coeffs=[[-15.5787,1.66683,-0.190741,-0.0715108],[20.2715,0.203444,0.105676,0.0293089],[-0.580879,0.0539962,0.0326586,0.0136456],[-0.230519,-0.00669693,8.49348e-05,0.00369452],[-0.141373,0.00242085,0.00184714,0.00126622],[-0.0761915,0.00647601,0.00333317,0.000935411]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.34
S298 (cal/mol*K) = 33.77
G298 (kcal/mol) = 59.28

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C3H5(129); C7H10(18), C4H5(99); C7H10(18)(+M)=>C3H5(129)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.558e+01 1.667e+00 -1.907e-01 -7.151e-02 / CHEB/ 2.027e+01 2.034e-01 1.057e-01 2.931e-02 / CHEB/ -5.809e-01 5.400e-02 3.266e-02 1.365e-02 / CHEB/ -2.305e-01 -6.697e-03 8.493e-05 3.695e-03 / CHEB/ -1.414e-01 2.421e-03 1.847e-03 1.266e-03 / CHEB/ -7.619e-02 6.476e-03 3.333e-03 9.354e-04 /

860.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	+0.0	+2.8	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-9.2	+0.8	+3.7	+4.8

Chebyshev(coeffs=[[-9.38773,1.24778,-0.305367,-0.0459821],[13.7547,0.498928,0.142768,-0.020133],[-0.276139,0.0982315,0.0576328,0.0151545],[-0.128649,-0.0241627,0.00275293,0.00985195],[-0.0963187,-0.0103874,-0.00148144,0.00374775],[-0.0515164,0.00957369,0.0027678,0.000186074]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.53
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = 42.29

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(130); C7H10(18)(+M)=>H(25)+C7H9(130)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.388e+00 1.248e+00 -3.054e-01 -4.598e-02 / CHEB/ 1.375e+01 4.989e-01 1.428e-01 -2.013e-02 / CHEB/ -2.761e-01 9.823e-02 5.763e-02 1.515e-02 / CHEB/ -1.286e-01 -2.416e-02 2.753e-03 9.852e-03 / CHEB/ -9.632e-02 -1.039e-02 -1.481e-03 3.748e-03 / CHEB/ -5.152e-02 9.574e-03 2.768e-03 1.861e-04 /

861.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-3.7	+0.6	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-2.8	+1.5	+3.3

Chebyshev(coeffs=[[-17.3169,1.6448,-0.200549,-0.0727542],[20.345,0.218199,0.110876,0.0285216],[-0.403027,0.0549082,0.0333445,0.0139745],[-0.176166,-0.00752048,-6.25208e-05,0.00387826],[-0.122738,0.00210803,0.00173933,0.00131557],[-0.0695303,0.00701086,0.00355772,0.000958842]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.13
S298 (cal/mol*K) = 20.43
G298 (kcal/mol) = 62.04

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(131); C7H10(18)(+M)=>H(25)+C7H9(131)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.732e+01 1.645e+00 -2.005e-01 -7.275e-02 / CHEB/ 2.034e+01 2.182e-01 1.109e-01 2.852e-02 / CHEB/ -4.030e-01 5.491e-02 3.334e-02 1.397e-02 / CHEB/ -1.762e-01 -7.520e-03 -6.252e-05 3.878e-03 / CHEB/ -1.227e-01 2.108e-03 1.739e-03 1.316e-03 / CHEB/ -6.953e-02 7.011e-03 3.558e-03 9.588e-04 /

862.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.2	-5.1	-0.6	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-4.2	+0.3	+2.2

Chebyshev(coeffs=[[-19.4104,1.67163,-0.188549,-0.0711792],[21.3412,0.200301,0.104527,0.0294378],[-0.38243,0.0538005,0.0325176,0.0135799],[-0.172676,-0.00652539,0.000115318,0.00365499],[-0.122314,0.00247692,0.00186496,0.00125477],[-0.0694876,0.00634871,0.00327687,0.000926926]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.13
S298 (cal/mol*K) = 17.73
G298 (kcal/mol) = 65.84

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(132); C7H10(18)(+M)=>H(25)+C7H9(132)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.941e+01 1.672e+00 -1.885e-01 -7.118e-02 / CHEB/ 2.134e+01 2.003e-01 1.045e-01 2.944e-02 / CHEB/ -3.824e-01 5.380e-02 3.252e-02 1.358e-02 / CHEB/ -1.727e-01 -6.525e-03 1.153e-04 3.655e-03 / CHEB/ -1.223e-01 2.477e-03 1.865e-03 1.255e-03 / CHEB/ -6.949e-02 6.349e-03 3.277e-03 9.269e-04 /

863.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.5	-3.1	+1.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-18.7	-2.2	+2.7	+4.6

Chebyshev(coeffs=[[-18.7747,1.73667,-0.15695,-0.0645108],[23.3969,0.159765,0.0883946,0.0297482],[-0.57815,0.0517856,0.0311674,0.0130044],[-0.238024,-0.00487571,0.000238492,0.00305727],[-0.144987,0.00261795,0.0017858,0.00102025],[-0.0761037,0.00417593,0.00219564,0.000649126]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.28
S298 (cal/mol*K) = 33.74
G298 (kcal/mol) = 69.23

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C5H7(133); C7H10(18), C2H3(100); C7H10(18)(+M)=>C5H7(133)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.877e+01 1.737e+00 -1.569e-01 -6.451e-02 / CHEB/ 2.340e+01 1.598e-01 8.839e-02 2.975e-02 / CHEB/ -5.782e-01 5.179e-02 3.117e-02 1.300e-02 / CHEB/ -2.380e-01 -4.876e-03 2.385e-04 3.057e-03 / CHEB/ -1.450e-01 2.618e-03 1.786e-03 1.020e-03 / CHEB/ -7.610e-02 4.176e-03 2.196e-03 6.491e-04 /

864.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.4	-2.1	+1.8	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-1.3	+2.8	+4.4

Chebyshev(coeffs=[[-14.8029,1.57964,-0.22712,-0.0739966],[18.8769,0.263292,0.124703,0.0243435],[-0.335638,0.0585966,0.0360178,0.0150775],[-0.151698,-0.0102881,-0.000501285,0.00451101],[-0.112528,0.000748434,0.00124531,0.00147219],[-0.0651123,0.00823087,0.00396732,0.000918351]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.93
S298 (cal/mol*K) = 16.63
G298 (kcal/mol) = 56.97

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(134); C7H10(18)(+M)=>H(25)+C7H9(134)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.480e+01 1.580e+00 -2.271e-01 -7.400e-02 / CHEB/ 1.888e+01 2.633e-01 1.247e-01 2.434e-02 / CHEB/ -3.356e-01 5.860e-02 3.602e-02 1.508e-02 / CHEB/ -1.517e-01 -1.029e-02 -5.013e-04 4.511e-03 / CHEB/ -1.125e-01 7.484e-04 1.245e-03 1.472e-03 / CHEB/ -6.511e-02 8.231e-03 3.967e-03 9.184e-04 /

865.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.4	-2.1	+1.8	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-1.3	+2.8	+4.4

H298 (kcal/mol) = 61.93
S298 (cal/mol*K) = 16.63
G298 (kcal/mol) = 56.97

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(135); C7H10(18)(+M)=>H(25)+C7H9(135)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.480e+01 1.580e+00 -2.271e-01 -7.400e-02 / CHEB/ 1.888e+01 2.633e-01 1.247e-01 2.434e-02 / CHEB/ -3.356e-01 5.860e-02 3.602e-02 1.508e-02 / CHEB/ -1.517e-01 -1.029e-02 -5.013e-04 4.511e-03 / CHEB/ -1.125e-01 7.484e-04 1.245e-03 1.472e-03 / CHEB/ -6.511e-02 8.231e-03 3.967e-03 9.184e-04 /

866.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.2	-4.6	+0.1	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-3.7	+1.0	+3.0

Chebyshev(coeffs=[[-19.3189,1.68871,-0.180593,-0.0698268],[22.0517,0.189186,0.100339,0.0297678],[-0.369213,0.0532096,0.0320823,0.013369],[-0.170584,-0.00596203,0.000208019,0.00351503],[-0.122099,0.00264169,0.00191131,0.00121105],[-0.0692613,0.00585737,0.00305104,0.000885299]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.33
S298 (cal/mol*K) = 17.31
G298 (kcal/mol) = 68.17

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(136); C7H10(18)(+M)=>H(25)+C7H9(136)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.932e+01 1.689e+00 -1.806e-01 -6.983e-02 / CHEB/ 2.205e+01 1.892e-01 1.003e-01 2.977e-02 / CHEB/ -3.692e-01 5.321e-02 3.208e-02 1.337e-02 / CHEB/ -1.706e-01 -5.962e-03 2.080e-04 3.515e-03 / CHEB/ -1.221e-01 2.642e-03 1.911e-03 1.211e-03 / CHEB/ -6.926e-02 5.857e-03 3.051e-03 8.853e-04 /

867.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-1.1	+2.6	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-0.2	+3.5	+5.0

Chebyshev(coeffs=[[-13.3788,1.57347,-0.229449,-0.0739442],[18.1826,0.267612,0.125862,0.0238173],[-0.456981,0.0590518,0.0363243,0.0151799],[-0.186976,-0.0105715,-0.000536928,0.00458129],[-0.123999,0.000585995,0.00118753,0.00149055],[-0.0690834,0.0083295,0.00399181,0.000907974]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.71
S298 (cal/mol*K) = 25.56
G298 (kcal/mol) = 52.09

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), CH2(137); C7H10(18), C6H8(94); C7H10(18)(+M)=>CH2(137)+C6H8(94)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.338e+01 1.573e+00 -2.294e-01 -7.394e-02 / CHEB/ 1.818e+01 2.676e-01 1.259e-01 2.382e-02 / CHEB/ -4.570e-01 5.905e-02 3.632e-02 1.518e-02 / CHEB/ -1.870e-01 -1.057e-02 -5.369e-04 4.581e-03 / CHEB/ -1.240e-01 5.860e-04 1.188e-03 1.491e-03 / CHEB/ -6.908e-02 8.330e-03 3.992e-03 9.080e-04 /

868.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+3.6	+4.9	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+4.0	+5.6	+6.0

Chebyshev(coeffs=[[-1.6929,0.58911,-0.208423,-0.0163536],[7.25891,0.868177,-0.0493538,-0.0218096],[-0.211829,0.269171,0.0552772,-0.0198823],[-0.156835,-0.0137781,0.0394655,0.000917658],[-0.0982128,-0.0362945,0.0122563,0.0102111],[-0.0318993,-0.00312249,-0.00174559,0.00443127]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.01
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = 16.84

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(138); C7H10(18)(+M)=>C7H10(138)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.693e+00 5.891e-01 -2.084e-01 -1.635e-02 / CHEB/ 7.259e+00 8.682e-01 -4.935e-02 -2.181e-02 / CHEB/ -2.118e-01 2.692e-01 5.528e-02 -1.988e-02 / CHEB/ -1.568e-01 -1.378e-02 3.947e-02 9.177e-04 / CHEB/ -9.821e-02 -3.629e-02 1.226e-02 1.021e-02 / CHEB/ -3.190e-02 -3.122e-03 -1.746e-03 4.431e-03 /

869.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	+0.7	+3.7	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-8.9	+1.5	+4.5	+5.7

Chebyshev(coeffs=[[-9.08299,1.31052,-0.298057,-0.0537154],[14.4027,0.454834,0.146804,-0.0107269],[-0.307151,0.0885598,0.053204,0.0162256],[-0.13718,-0.0219552,0.00117775,0.00877435],[-0.100438,-0.00801006,-0.00114816,0.00311091],[-0.0545517,0.00974699,0.00327271,0.000276295]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.83
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = 42.02

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(139); C7H10(18)(+M)=>C7H10(139)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.083e+00 1.311e+00 -2.981e-01 -5.372e-02 / CHEB/ 1.440e+01 4.548e-01 1.468e-01 -1.073e-02 / CHEB/ -3.072e-01 8.856e-02 5.320e-02 1.623e-02 / CHEB/ -1.372e-01 -2.196e-02 1.178e-03 8.774e-03 / CHEB/ -1.004e-01 -8.010e-03 -1.148e-03 3.111e-03 / CHEB/ -5.455e-02 9.747e-03 3.273e-03 2.763e-04 /

870.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	+1.0	+3.9	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-8.5	+1.8	+4.8	+6.0

Chebyshev(coeffs=[[-8.73483,1.31102,-0.297981,-0.0537728],[14.3161,0.454513,0.146823,-0.0106557],[-0.327658,0.08846,0.0531669,0.0162359],[-0.143275,-0.0219332,0.00116622,0.0087646],[-0.10246,-0.00798818,-0.00114453,0.00310561],[-0.0552718,0.00974715,0.00327647,0.000277345]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.70
S298 (cal/mol*K) = 0.83
G298 (kcal/mol) = 41.45

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(140); C7H10(18)(+M)=>C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.735e+00 1.311e+00 -2.980e-01 -5.377e-02 / CHEB/ 1.432e+01 4.545e-01 1.468e-01 -1.066e-02 / CHEB/ -3.277e-01 8.846e-02 5.317e-02 1.624e-02 / CHEB/ -1.433e-01 -2.193e-02 1.166e-03 8.765e-03 / CHEB/ -1.025e-01 -7.988e-03 -1.145e-03 3.106e-03 / CHEB/ -5.527e-02 9.747e-03 3.276e-03 2.773e-04 /

871.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	+1.1	+3.7	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+1.8	+4.5	+5.6

Chebyshev(coeffs=[[-7.56003,1.14784,-0.307797,-0.0326695],[12.6441,0.579987,0.130499,-0.0347688],[-0.195672,0.112938,0.0652483,0.0131408],[-0.113243,-0.0287034,0.00606084,0.011663],[-0.110573,-0.0135371,-0.00190371,0.00475544],[-0.0430337,0.00882162,0.00181438,0.000163195]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.51
S298 (cal/mol*K) = -2.12
G298 (kcal/mol) = 26.14

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(141); C7H10(18)(+M)=>C7H10(141)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.560e+00 1.148e+00 -3.078e-01 -3.267e-02 / CHEB/ 1.264e+01 5.800e-01 1.305e-01 -3.477e-02 / CHEB/ -1.957e-01 1.129e-01 6.525e-02 1.314e-02 / CHEB/ -1.132e-01 -2.870e-02 6.061e-03 1.166e-02 / CHEB/ -1.106e-01 -1.354e-02 -1.904e-03 4.755e-03 / CHEB/ -4.303e-02 8.822e-03 1.814e-03 1.632e-04 /

872.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-2.2	+1.4	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-1.4	+2.3	+3.9

Chebyshev(coeffs=[[-14.0118,1.51362,-0.249951,-0.0717404],[17.521,0.314512,0.137415,0.0178117],[-0.323929,0.0641108,0.0398809,0.0163359],[-0.141566,-0.0135372,-0.000802282,0.00538969],[-0.0901442,-0.00145005,0.000458084,0.00169519],[-0.0653932,0.00904517,0.00406128,0.000751]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.83
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = 42.02

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(142); C7H10(18)(+M)=>C7H10(142)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.401e+01 1.514e+00 -2.500e-01 -7.174e-02 / CHEB/ 1.752e+01 3.145e-01 1.374e-01 1.781e-02 / CHEB/ -3.239e-01 6.411e-02 3.988e-02 1.634e-02 / CHEB/ -1.416e-01 -1.354e-02 -8.023e-04 5.390e-03 / CHEB/ -9.014e-02 -1.450e-03 4.581e-04 1.695e-03 / CHEB/ -6.539e-02 9.045e-03 4.061e-03 7.510e-04 /

873.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	+0.0	+2.8	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-9.2	+0.7	+3.6	+4.7

Chebyshev(coeffs=[[-9.479,1.07006,-0.421648,-0.0965985],[13.8381,0.65895,0.24156,0.0147428],[-0.373215,0.0678615,0.0445486,0.0160157],[-0.137862,-0.0363286,-0.00615016,0.00546221],[-0.085381,0.00224976,0.00514031,0.00554995],[-0.0441121,0.0199857,0.0096096,0.00344768]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.90
S298 (cal/mol*K) = 0.41
G298 (kcal/mol) = 43.78

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(143); C7H10(18)(+M)=>C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.479e+00 1.070e+00 -4.216e-01 -9.660e-02 / CHEB/ 1.384e+01 6.589e-01 2.416e-01 1.474e-02 / CHEB/ -3.732e-01 6.786e-02 4.455e-02 1.602e-02 / CHEB/ -1.379e-01 -3.633e-02 -6.150e-03 5.462e-03 / CHEB/ -8.538e-02 2.250e-03 5.140e-03 5.550e-03 / CHEB/ -4.411e-02 1.999e-02 9.610e-03 3.448e-03 /

874.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	+0.0	+2.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+0.7	+3.2	+4.2

Chebyshev(coeffs=[[-8.46028,1.14592,-0.309921,-0.0330264],[12.2689,0.569225,0.128973,-0.0342941],[-0.346811,0.11575,0.0642963,0.0122593],[-0.151451,-0.0271148,0.0063486,0.011358],[-0.102137,-0.0143309,-0.00164972,0.00493414],[-0.0509206,0.00894821,0.00178812,0.000170613]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.70
S298 (cal/mol*K) = 3.53
G298 (kcal/mol) = 37.65

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(144); C7H10(18)(+M)=>C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.460e+00 1.146e+00 -3.099e-01 -3.303e-02 / CHEB/ 1.227e+01 5.692e-01 1.290e-01 -3.429e-02 / CHEB/ -3.468e-01 1.157e-01 6.430e-02 1.226e-02 / CHEB/ -1.515e-01 -2.711e-02 6.349e-03 1.136e-02 / CHEB/ -1.021e-01 -1.433e-02 -1.650e-03 4.934e-03 / CHEB/ -5.092e-02 8.948e-03 1.788e-03 1.706e-04 /

875.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+0.5	+2.2	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+1.1	+2.9	+3.6

Chebyshev(coeffs=[[-5.81794,0.749527,-0.253455,-0.00654235],[8.92697,0.810987,0.00951802,-0.0451988],[-0.220527,0.209364,0.0715067,-0.0111268],[-0.136484,-0.0271098,0.0295688,0.00897172],[-0.0929009,-0.0301996,0.00455872,0.0100279],[-0.0365445,0.00263076,-0.00196784,0.00238318]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.33
S298 (cal/mol*K) = -7.88
G298 (kcal/mol) = 28.68

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(145); C7H10(18)(+M)=>C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.818e+00 7.495e-01 -2.535e-01 -6.542e-03 / CHEB/ 8.927e+00 8.110e-01 9.518e-03 -4.520e-02 / CHEB/ -2.205e-01 2.094e-01 7.151e-02 -1.113e-02 / CHEB/ -1.365e-01 -2.711e-02 2.957e-02 8.972e-03 / CHEB/ -9.290e-02 -3.020e-02 4.559e-03 1.003e-02 / CHEB/ -3.654e-02 2.631e-03 -1.968e-03 2.383e-03 /

876.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	+1.1	+3.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+1.7	+4.0	+4.9

Chebyshev(coeffs=[[-5.73833,0.829887,-0.259753,-0.00839547],[9.83645,0.822911,0.0363711,-0.0490429],[-0.0294997,0.182673,0.0815957,-0.00494345],[-0.084467,-0.0387238,0.0254867,0.0130216],[-0.0790881,-0.0296346,0.000613539,0.00989475],[-0.0368945,0.00487375,-0.0021876,0.00146084]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.11
S298 (cal/mol*K) = -4.07
G298 (kcal/mol) = 25.32

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(146); C7H10(18)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.738e+00 8.299e-01 -2.598e-01 -8.395e-03 / CHEB/ 9.836e+00 8.229e-01 3.637e-02 -4.904e-02 / CHEB/ -2.950e-02 1.827e-01 8.160e-02 -4.943e-03 / CHEB/ -8.447e-02 -3.872e-02 2.549e-02 1.302e-02 / CHEB/ -7.909e-02 -2.963e-02 6.135e-04 9.895e-03 / CHEB/ -3.689e-02 4.874e-03 -2.188e-03 1.461e-03 /

877.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+2.4	+3.5	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-2.4	+2.8	+4.2	+4.5

Chebyshev(coeffs=[[-2.2181,0.501905,-0.185717,-0.0242113],[6.27398,0.872863,-0.0717764,-0.00736963],[-0.172298,0.310302,0.0368137,-0.0205664],[-0.168917,0.00360282,0.0414313,-0.00504166],[-0.101624,-0.0377291,0.0184469,0.00852423],[-0.0278293,-0.00796346,-3.1759e-05,0.00543528]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.23
S298 (cal/mol*K) = -7.53
G298 (kcal/mol) = 18.47

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(147); C7H10(18)(+M)=>C7H10(147)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.218e+00 5.019e-01 -1.857e-01 -2.421e-02 / CHEB/ 6.274e+00 8.729e-01 -7.178e-02 -7.370e-03 / CHEB/ -1.723e-01 3.103e-01 3.681e-02 -2.057e-02 / CHEB/ -1.689e-01 3.603e-03 4.143e-02 -5.042e-03 / CHEB/ -1.016e-01 -3.773e-02 1.845e-02 8.524e-03 / CHEB/ -2.783e-02 -7.963e-03 -3.176e-05 5.435e-03 /

878.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+4.0	+4.3	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+4.2	+4.9	+4.9

Chebyshev(coeffs=[[1.50436,0.291112,-0.163579,-0.0378033],[2.93304,0.791625,-0.0628662,0.0162758],[-0.0671778,0.377504,-0.0225847,-0.0114813],[-0.252133,0.088754,0.0182402,-0.0130375],[-0.132888,-0.00976956,0.0277487,-0.000753005],[-0.0224646,-0.0170997,0.0101847,0.00386104]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.73
S298 (cal/mol*K) = -14.75
G298 (kcal/mol) = 5.13

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(148); C7H10(18)(+M)=>C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.504e+00 2.911e-01 -1.636e-01 -3.780e-02 / CHEB/ 2.933e+00 7.916e-01 -6.287e-02 1.628e-02 / CHEB/ -6.718e-02 3.775e-01 -2.258e-02 -1.148e-02 / CHEB/ -2.521e-01 8.875e-02 1.824e-02 -1.304e-02 / CHEB/ -1.329e-01 -9.770e-03 2.775e-02 -7.530e-04 / CHEB/ -2.246e-02 -1.710e-02 1.018e-02 3.861e-03 /

879.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	+1.7	+3.1	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+2.2	+3.8	+4.3

Chebyshev(coeffs=[[-3.93406,0.657836,-0.228076,-0.0109287],[7.84645,0.849473,-0.0254796,-0.0331082],[-0.253169,0.241036,0.0646243,-0.0169557],[-0.157077,-0.021511,0.035674,0.00496687],[-0.0989033,-0.0338666,0.00839422,0.0105099],[-0.0352731,-0.00025505,-0.00214888,0.00351366]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.91
S298 (cal/mol*K) = -5.56
G298 (kcal/mol) = 24.57

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(149); C7H10(18)(+M)=>C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.934e+00 6.578e-01 -2.281e-01 -1.093e-02 / CHEB/ 7.846e+00 8.495e-01 -2.548e-02 -3.311e-02 / CHEB/ -2.532e-01 2.410e-01 6.462e-02 -1.696e-02 / CHEB/ -1.571e-01 -2.151e-02 3.567e-02 4.967e-03 / CHEB/ -9.890e-02 -3.387e-02 8.394e-03 1.051e-02 / CHEB/ -3.527e-02 -2.551e-04 -2.149e-03 3.514e-03 /

880.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+5.6	+6.5	+6.7
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+6.0	+7.2	+7.5

Chebyshev(coeffs=[[1.89075,0.409722,-0.167071,-0.032371],[4.96799,0.862239,-0.0768392,0.00504962],[-0.0105257,0.361437,0.00979943,-0.0165963],[-0.177084,0.0366586,0.0372191,-0.0107026],[-0.103686,-0.0352308,0.0263817,0.00488081],[-0.0205623,-0.0159065,0.00413693,0.00597438]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.78
S298 (cal/mol*K) = -13.07
G298 (kcal/mol) = -24.89

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(150); C7H10(18)(+M)=>C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.891e+00 4.097e-01 -1.671e-01 -3.237e-02 / CHEB/ 4.968e+00 8.622e-01 -7.684e-02 5.050e-03 / CHEB/ -1.053e-02 3.614e-01 9.799e-03 -1.660e-02 / CHEB/ -1.771e-01 3.666e-02 3.722e-02 -1.070e-02 / CHEB/ -1.037e-01 -3.523e-02 2.638e-02 4.881e-03 / CHEB/ -2.056e-02 -1.591e-02 4.137e-03 5.974e-03 /

881.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+4.5	+5.9	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+4.9	+6.7	+7.2

Chebyshev(coeffs=[[-1.19224,0.626869,-0.219174,-0.0132087],[7.90318,0.859245,-0.0366771,-0.0281518],[-0.165995,0.253196,0.0609317,-0.0184829],[-0.136295,-0.0185162,0.0375242,0.00324468],[-0.0917241,-0.0350287,0.0100207,0.0104638],[-0.0314321,-0.00145107,-0.00204588,0.00392784]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.05
S298 (cal/mol*K) = 1.53
G298 (kcal/mol) = 21.59

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(151); C7H10(18)(+M)=>C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.192e+00 6.269e-01 -2.192e-01 -1.321e-02 / CHEB/ 7.903e+00 8.592e-01 -3.668e-02 -2.815e-02 / CHEB/ -1.660e-01 2.532e-01 6.093e-02 -1.848e-02 / CHEB/ -1.363e-01 -1.852e-02 3.752e-02 3.245e-03 / CHEB/ -9.172e-02 -3.503e-02 1.002e-02 1.046e-02 / CHEB/ -3.143e-02 -1.451e-03 -2.046e-03 3.928e-03 /

882.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+4.8	+7.7	+8.9
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+5.5	+8.5	+9.8

Chebyshev(coeffs=[[-4.67543,1.26071,-0.301385,-0.0463657],[13.9039,0.507816,0.147294,-0.0191395],[-0.208479,0.0944057,0.0580765,0.0165276],[-0.105259,-0.0260561,0.00191827,0.0100381],[-0.0873771,-0.0104401,-0.00187419,0.00354063],[-0.0493323,0.00952409,0.00278813,0.000148733]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.89
S298 (cal/mol*K) = 14.46
G298 (kcal/mol) = 36.58

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(152); C7H10(18)(+M)=>C7H10(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.675e+00 1.261e+00 -3.014e-01 -4.637e-02 / CHEB/ 1.390e+01 5.078e-01 1.473e-01 -1.914e-02 / CHEB/ -2.085e-01 9.441e-02 5.808e-02 1.653e-02 / CHEB/ -1.053e-01 -2.606e-02 1.918e-03 1.004e-02 / CHEB/ -8.738e-02 -1.044e-02 -1.874e-03 3.541e-03 / CHEB/ -4.933e-02 9.524e-03 2.788e-03 1.487e-04 /

883.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	+3.0	+5.8	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-6.4	+3.7	+6.7	+7.9

Chebyshev(coeffs=[[-6.53709,1.26007,-0.304214,-0.047531],[13.935,0.490306,0.143836,-0.0183094],[-0.269404,0.096287,0.056776,0.0154043],[-0.126474,-0.0237538,0.00240671,0.00964753],[-0.095853,-0.00991829,-0.00142801,0.00361701],[-0.0516611,0.00962117,0.00287359,0.000199382]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.89
S298 (cal/mol*K) = 14.46
G298 (kcal/mol) = 36.58

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(153); C7H10(18)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.537e+00 1.260e+00 -3.042e-01 -4.753e-02 / CHEB/ 1.393e+01 4.903e-01 1.438e-01 -1.831e-02 / CHEB/ -2.694e-01 9.629e-02 5.678e-02 1.540e-02 / CHEB/ -1.265e-01 -2.375e-02 2.407e-03 9.648e-03 / CHEB/ -9.585e-02 -9.918e-03 -1.428e-03 3.617e-03 / CHEB/ -5.166e-02 9.621e-03 2.874e-03 1.994e-04 /

884.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	+1.7	+4.3	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-7.1	+2.4	+5.1	+6.1

Chebyshev(coeffs=[[-7.33971,1.22446,-0.307204,-0.0430215],[13.1459,0.515145,0.140382,-0.0235351],[-0.349199,0.102074,0.0592354,0.0146136],[-0.150443,-0.0249145,0.0034657,0.0102307],[-0.103117,-0.0112837,-0.00156508,0.00400428],[-0.0533021,0.00946323,0.00255807,0.000167563]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.37
S298 (cal/mol*K) = 14.01
G298 (kcal/mol) = 34.19

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(154); C7H10(18)(+M)=>C7H10(154)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.340e+00 1.224e+00 -3.072e-01 -4.302e-02 / CHEB/ 1.315e+01 5.151e-01 1.404e-01 -2.354e-02 / CHEB/ -3.492e-01 1.021e-01 5.924e-02 1.461e-02 / CHEB/ -1.504e-01 -2.491e-02 3.466e-03 1.023e-02 / CHEB/ -1.031e-01 -1.128e-02 -1.565e-03 4.004e-03 / CHEB/ -5.330e-02 9.463e-03 2.558e-03 1.676e-04 /

885.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-0.2	+2.8	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-9.9	+0.6	+3.6	+4.9

Chebyshev(coeffs=[[-10.1053,1.32032,-0.296588,-0.0548716],[14.5533,0.447961,0.147116,-0.00925108],[-0.302325,0.0870738,0.0525005,0.016352],[-0.135863,-0.0215766,0.000974833,0.0085986],[-0.100212,-0.00763623,-0.00108134,0.00301793],[-0.0547087,0.00975995,0.00334329,0.000294858]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.64
S298 (cal/mol*K) = -4.80
G298 (kcal/mol) = 45.07

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(155); C7H10(18)(+M)=>C7H10(155)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.011e+01 1.320e+00 -2.966e-01 -5.487e-02 / CHEB/ 1.455e+01 4.480e-01 1.471e-01 -9.251e-03 / CHEB/ -3.023e-01 8.707e-02 5.250e-02 1.635e-02 / CHEB/ -1.359e-01 -2.158e-02 9.748e-04 8.599e-03 / CHEB/ -1.002e-01 -7.636e-03 -1.081e-03 3.018e-03 / CHEB/ -5.471e-02 9.760e-03 3.343e-03 2.949e-04 /

886.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	+0.1	+2.1	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-9.2	+0.0	+2.4	+3.0

Chebyshev(coeffs=[[-8.37685,-0.2018,-0.204956,0.00329858],[11.6107,0.903434,-0.118054,-0.0362796],[-0.33968,0.435548,0.0280051,-0.0168896],[-0.37495,0.132301,0.0465145,0.00412225],[-0.225241,0.0268968,0.0294875,0.00581895],[-0.0805662,0.00913572,0.00819689,0.00141862]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.87
S298 (cal/mol*K) = 23.27
G298 (kcal/mol) = 27.94

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C4H5(156); C7H10(18), C3H5(98); C7H10(18)(+M)=>C4H5(156)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.377e+00 -2.018e-01 -2.050e-01 3.299e-03 / CHEB/ 1.161e+01 9.034e-01 -1.181e-01 -3.628e-02 / CHEB/ -3.397e-01 4.355e-01 2.801e-02 -1.689e-02 / CHEB/ -3.750e-01 1.323e-01 4.651e-02 4.122e-03 / CHEB/ -2.252e-01 2.690e-02 2.949e-02 5.819e-03 / CHEB/ -8.057e-02 9.136e-03 8.197e-03 1.419e-03 /

887.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.7	-4.8	-1.9	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-4.7	-1.4	-0.3

Chebyshev(coeffs=[[-16.2857,0.0720847,-0.285883,-0.0180355],[16.181,1.00386,-0.0222441,-0.0274046],[-0.484477,0.417673,0.0533313,-0.00787566],[-0.368534,0.080776,0.0528105,-0.00160117],[-0.193237,-0.00478748,0.0277564,0.00551696],[-0.064674,0.000822345,0.00390947,0.00562278]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.80
S298 (cal/mol*K) = 14.02
G298 (kcal/mol) = 47.62

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(157); C7H10(18)(+M)=>H(25)+C7H9(157)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.629e+01 7.208e-02 -2.859e-01 -1.804e-02 / CHEB/ 1.618e+01 1.004e+00 -2.224e-02 -2.740e-02 / CHEB/ -4.845e-01 4.177e-01 5.333e-02 -7.876e-03 / CHEB/ -3.685e-01 8.078e-02 5.281e-02 -1.601e-03 / CHEB/ -1.932e-01 -4.787e-03 2.776e-02 5.517e-03 / CHEB/ -6.467e-02 8.223e-04 3.909e-03 5.623e-03 /

888.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.9	-5.8	-2.5	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-20.0	-5.4	-1.7	-0.5

Chebyshev(coeffs=[[-19.8115,0.495941,-0.331106,-0.0340449],[19.9392,1.03746,0.064509,-0.0265961],[-0.937377,0.30116,0.107875,-0.00768027],[-0.429746,-0.0185155,0.0476005,0.0145824],[-0.177744,-0.0345416,0.00467602,0.0130375],[-0.0588798,0.00386868,-0.00522261,0.00222305]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.72
S298 (cal/mol*K) = 33.47
G298 (kcal/mol) = 58.75

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C5H7(158); C7H10(18), C2H3(100); C7H10(18)(+M)=>C5H7(158)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.981e+01 4.959e-01 -3.311e-01 -3.404e-02 / CHEB/ 1.994e+01 1.037e+00 6.451e-02 -2.660e-02 / CHEB/ -9.374e-01 3.012e-01 1.079e-01 -7.680e-03 / CHEB/ -4.297e-01 -1.852e-02 4.760e-02 1.458e-02 / CHEB/ -1.777e-01 -3.454e-02 4.676e-03 1.304e-02 / CHEB/ -5.888e-02 3.869e-03 -5.223e-03 2.223e-03 /

889.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-5.5	-2.3	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-5.2	-1.8	-0.6

Chebyshev(coeffs=[[-17.5559,0.15674,-0.2949,-0.0252525],[17.196,1.0332,-0.00587446,-0.0215337],[-0.531006,0.406838,0.0648729,-0.00984111],[-0.371893,0.060815,0.0559915,-0.000741972],[-0.176792,-0.01556,0.0251231,0.00798715],[-0.0634089,-0.00131201,0.00142935,0.00629831]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.87
S298 (cal/mol*K) = 14.78
G298 (kcal/mol) = 49.46

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(159); C7H10(18)(+M)=>H(25)+C7H9(159)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.756e+01 1.567e-01 -2.949e-01 -2.525e-02 / CHEB/ 1.720e+01 1.033e+00 -5.874e-03 -2.153e-02 / CHEB/ -5.310e-01 4.068e-01 6.487e-02 -9.841e-03 / CHEB/ -3.719e-01 6.081e-02 5.599e-02 -7.420e-04 / CHEB/ -1.768e-01 -1.556e-02 2.512e-02 7.987e-03 / CHEB/ -6.341e-02 -1.312e-03 1.429e-03 6.298e-03 /

890.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-7.1	-3.8	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-6.8	-3.1	-1.7

Chebyshev(coeffs=[[-19.9736,0.281826,-0.306982,-0.0323017],[18.4117,1.05631,0.0163867,-0.0176481],[-0.598938,0.37629,0.0825169,-0.0124845],[-0.32973,0.0267465,0.0573241,0.0035552],[-0.157377,-0.0293476,0.0185431,0.0116518],[-0.0333483,-0.00232918,-0.00208352,0.00593339]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.60
S298 (cal/mol*K) = 13.90
G298 (kcal/mol) = 55.45

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(160); C7H10(18)(+M)=>H(25)+C7H9(160)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.997e+01 2.818e-01 -3.070e-01 -3.230e-02 / CHEB/ 1.841e+01 1.056e+00 1.639e-02 -1.765e-02 / CHEB/ -5.989e-01 3.763e-01 8.252e-02 -1.248e-02 / CHEB/ -3.297e-01 2.675e-02 5.732e-02 3.555e-03 / CHEB/ -1.574e-01 -2.935e-02 1.854e-02 1.165e-02 / CHEB/ -3.335e-02 -2.329e-03 -2.084e-03 5.933e-03 /

891.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.9	-11.2	-6.7	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-27.9	-10.6	-5.8	-3.9

Chebyshev(coeffs=[[-27.6191,0.83412,-0.362715,-0.0416512],[24.0112,0.922346,0.165482,-0.0351228],[-0.773376,0.185166,0.113746,0.0185469],[-0.341215,-0.0592024,0.0156689,0.0219202],[-0.135831,-0.0292353,-0.0104402,0.00552551],[-0.0474543,0.0116608,-0.00277172,-0.0026875]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.90
S298 (cal/mol*K) = 19.52
G298 (kcal/mol) = 75.08

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(161); C7H10(18)(+M)=>H(25)+C7H9(161)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.762e+01 8.341e-01 -3.627e-01 -4.165e-02 / CHEB/ 2.401e+01 9.223e-01 1.655e-01 -3.512e-02 / CHEB/ -7.734e-01 1.852e-01 1.137e-01 1.855e-02 / CHEB/ -3.412e-01 -5.920e-02 1.567e-02 2.192e-02 / CHEB/ -1.358e-01 -2.924e-02 -1.044e-02 5.526e-03 / CHEB/ -4.745e-02 1.166e-02 -2.772e-03 -2.687e-03 /

892.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.9	-11.2	-6.7	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-27.9	-10.6	-5.8	-3.9

H298 (kcal/mol) = 80.90
S298 (cal/mol*K) = 19.52
G298 (kcal/mol) = 75.08

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(162); C7H10(18)(+M)=>H(25)+C7H9(162)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.762e+01 8.341e-01 -3.627e-01 -4.165e-02 / CHEB/ 2.401e+01 9.223e-01 1.655e-01 -3.512e-02 / CHEB/ -7.734e-01 1.852e-01 1.137e-01 1.855e-02 / CHEB/ -3.412e-01 -5.920e-02 1.567e-02 2.192e-02 / CHEB/ -1.358e-01 -2.924e-02 -1.044e-02 5.526e-03 / CHEB/ -4.745e-02 1.166e-02 -2.772e-03 -2.687e-03 /

893.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.5	-10.4	-6.0	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-9.7	-5.2	-3.4

Chebyshev(coeffs=[[-26.1511,0.720361,-0.354489,-0.0363961],[23.0214,0.974176,0.13133,-0.0368384],[-0.759013,0.221865,0.116996,0.00927294],[-0.348806,-0.0502311,0.0272714,0.0216993],[-0.141684,-0.0326073,-0.00693626,0.00872335],[-0.0483757,0.00943012,-0.00438238,-0.00156964]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.40
S298 (cal/mol*K) = 19.52
G298 (kcal/mol) = 71.58

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(163); C7H10(18)(+M)=>H(25)+C7H9(163)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.615e+01 7.204e-01 -3.545e-01 -3.640e-02 / CHEB/ 2.302e+01 9.742e-01 1.313e-01 -3.684e-02 / CHEB/ -7.590e-01 2.219e-01 1.170e-01 9.273e-03 / CHEB/ -3.488e-01 -5.023e-02 2.727e-02 2.170e-02 / CHEB/ -1.417e-01 -3.261e-02 -6.936e-03 8.723e-03 / CHEB/ -4.838e-02 9.430e-03 -4.382e-03 -1.570e-03 /

894.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.4	-9.9	-5.4	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-26.4	-9.2	-4.5	-2.6

Chebyshev(coeffs=[[-26.0519,0.786453,-0.35977,-0.0390592],[23.6917,0.945389,0.151446,-0.0365642],[-0.747187,0.200191,0.115695,0.0147711],[-0.338283,-0.0559265,0.0205319,0.0220962],[-0.13623,-0.0307546,-0.00918256,0.00688891],[-0.0470729,0.0107722,-0.00350786,-0.00229359]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.60
S298 (cal/mol*K) = 19.10
G298 (kcal/mol) = 73.90

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(164); C7H10(18)(+M)=>H(25)+C7H9(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.605e+01 7.865e-01 -3.598e-01 -3.906e-02 / CHEB/ 2.369e+01 9.454e-01 1.514e-01 -3.656e-02 / CHEB/ -7.472e-01 2.002e-01 1.157e-01 1.477e-02 / CHEB/ -3.383e-01 -5.593e-02 2.053e-02 2.210e-02 / CHEB/ -1.362e-01 -3.075e-02 -9.183e-03 6.889e-03 / CHEB/ -4.707e-02 1.077e-02 -3.508e-03 -2.294e-03 /

895.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-1.5	+0.5	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-1.6	+0.8	+1.5

Chebyshev(coeffs=[[-9.56513,-0.245064,-0.182324,-0.00229092],[11.1166,0.873968,-0.141523,-0.0232019],[-0.214516,0.435372,0.0216629,-0.0241811],[-0.348644,0.139233,0.047802,0.00383384],[-0.220653,0.0320682,0.0296269,0.00810365],[-0.0795021,0.0107505,0.00800768,0.00154946]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.32
S298 (cal/mol*K) = 0.74
G298 (kcal/mol) = 26.10

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(165); C7H10(18)(+M)=>C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.565e+00 -2.451e-01 -1.823e-01 -2.291e-03 / CHEB/ 1.112e+01 8.740e-01 -1.415e-01 -2.320e-02 / CHEB/ -2.145e-01 4.354e-01 2.166e-02 -2.418e-02 / CHEB/ -3.486e-01 1.392e-01 4.780e-02 3.834e-03 / CHEB/ -2.207e-01 3.207e-02 2.963e-02 8.104e-03 / CHEB/ -7.950e-02 1.075e-02 8.008e-03 1.549e-03 /

896.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-1.4	+0.7	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-1.5	+1.0	+1.6

Chebyshev(coeffs=[[-9.56288,-0.243442,-0.183225,-0.00194344],[11.2641,0.875268,-0.140629,-0.0239016],[-0.191454,0.435379,0.0219632,-0.0238432],[-0.341328,0.13897,0.0477347,0.0038676],[-0.218113,0.0318682,0.0296107,0.00800223],[-0.0785838,0.0106872,0.00802179,0.0015325]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.72
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = 26.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(166); C7H10(18)(+M)=>C7H10(166)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.563e+00 -2.434e-01 -1.832e-01 -1.943e-03 / CHEB/ 1.126e+01 8.753e-01 -1.406e-01 -2.390e-02 / CHEB/ -1.915e-01 4.354e-01 2.196e-02 -2.384e-02 / CHEB/ -3.413e-01 1.390e-01 4.773e-02 3.868e-03 / CHEB/ -2.181e-01 3.187e-02 2.961e-02 8.002e-03 / CHEB/ -7.858e-02 1.069e-02 8.022e-03 1.533e-03 /

897.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-4.5	-2.2	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-4.6	-1.8	-0.8

Chebyshev(coeffs=[[-13.7559,-0.136796,-0.228143,0.00322504],[12.9583,0.949578,-0.0906745,-0.0426472],[-0.358294,0.442697,0.034864,-0.0112482],[-0.310347,0.121942,0.0477688,0.00341356],[-0.117509,0.015845,0.0305723,0.00428272],[-0.06224,0.00484561,0.00788825,0.00197012]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.33
S298 (cal/mol*K) = -4.33
G298 (kcal/mol) = 16.62

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(167); C7H10(18)(+M)=>C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.376e+01 -1.368e-01 -2.281e-01 3.225e-03 / CHEB/ 1.296e+01 9.496e-01 -9.067e-02 -4.265e-02 / CHEB/ -3.583e-01 4.427e-01 3.486e-02 -1.125e-02 / CHEB/ -3.103e-01 1.219e-01 4.777e-02 3.414e-03 / CHEB/ -1.175e-01 1.584e-02 3.057e-02 4.283e-03 / CHEB/ -6.224e-02 4.846e-03 7.888e-03 1.970e-03 /

898.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-2.8	-0.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-2.7	+0.1	+1.2

Chebyshev(coeffs=[[-12.2812,-0.091629,-0.246553,0.000185067],[13.5332,0.96261,-0.0695729,-0.0424604],[-0.546415,0.438441,0.0379489,-0.00817749],[-0.299686,0.113934,0.0479428,0.00194775],[-0.0259583,0.0116121,0.0303308,0.00353829],[-0.0448413,0.00385604,0.00743652,0.00276995]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.72
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = 26.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(168); C7H10(18)(+M)=>C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.228e+01 -9.163e-02 -2.466e-01 1.851e-04 / CHEB/ 1.353e+01 9.626e-01 -6.957e-02 -4.246e-02 / CHEB/ -5.464e-01 4.384e-01 3.795e-02 -8.177e-03 / CHEB/ -2.997e-01 1.139e-01 4.794e-02 1.948e-03 / CHEB/ -2.596e-02 1.161e-02 3.033e-02 3.538e-03 / CHEB/ -4.484e-02 3.856e-03 7.437e-03 2.770e-03 /

899.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-3.1	-0.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-3.1	-0.5	+0.3

Chebyshev(coeffs=[[-11.7572,-0.203649,-0.196254,0.00101552],[12.0215,0.915894,-0.125943,-0.0323267],[-0.142633,0.443848,0.0297041,-0.0193899],[-0.332686,0.135076,0.0484122,0.00464402],[-0.212996,0.0268269,0.0296733,0.00647906],[-0.0777983,0.00826136,0.00797419,0.00129008]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.54
S298 (cal/mol*K) = -8.29
G298 (kcal/mol) = 21.01

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(169); C7H10(18)(+M)=>C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.176e+01 -2.036e-01 -1.963e-01 1.016e-03 / CHEB/ 1.202e+01 9.159e-01 -1.259e-01 -3.233e-02 / CHEB/ -1.426e-01 4.438e-01 2.970e-02 -1.939e-02 / CHEB/ -3.327e-01 1.351e-01 4.841e-02 4.644e-03 / CHEB/ -2.130e-01 2.683e-02 2.967e-02 6.479e-03 / CHEB/ -7.780e-02 8.261e-03 7.974e-03 1.290e-03 /

900.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-2.5	-0.0	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-2.5	+0.4	+1.3

Chebyshev(coeffs=[[-12.3845,-0.102269,-0.245858,0.000676113],[13.7566,0.949722,-0.0717692,-0.0423137],[-0.329543,0.433748,0.0366388,-0.00827456],[-0.352758,0.115693,0.0469613,0.00192251],[-0.207331,0.015374,0.0297678,0.00338812],[-0.0726025,0.00568374,0.00752281,0.00264486]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.32
S298 (cal/mol*K) = 2.12
G298 (kcal/mol) = 25.69

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(170); C7H10(18)(+M)=>C7H10(170)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.238e+01 -1.023e-01 -2.459e-01 6.761e-04 / CHEB/ 1.376e+01 9.497e-01 -7.177e-02 -4.231e-02 / CHEB/ -3.295e-01 4.337e-01 3.664e-02 -8.275e-03 / CHEB/ -3.528e-01 1.157e-01 4.696e-02 1.923e-03 / CHEB/ -2.073e-01 1.537e-02 2.977e-02 3.388e-03 / CHEB/ -7.260e-02 5.684e-03 7.523e-03 2.645e-03 /

901.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-2.1	-0.6	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-2.4	-0.4	+0.0

Chebyshev(coeffs=[[-8.24709,-0.338576,-0.152774,-0.0633186],[8.20101,0.661631,-0.126098,0.0727816],[0.0562206,0.439547,-0.0541047,-0.0442446],[-0.323282,0.166391,0.0522693,-0.0173717],[-0.214405,0.0469128,0.0426389,0.0175074],[-0.0762713,0.0159391,0.00642589,0.00864572]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.89
S298 (cal/mol*K) = -6.58
G298 (kcal/mol) = 17.85

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(171); C7H10(18)(+M)=>C7H10(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.247e+00 -3.386e-01 -1.528e-01 -6.332e-02 / CHEB/ 8.201e+00 6.616e-01 -1.261e-01 7.278e-02 / CHEB/ 5.622e-02 4.395e-01 -5.410e-02 -4.424e-02 / CHEB/ -3.233e-01 1.664e-01 5.227e-02 -1.737e-02 / CHEB/ -2.144e-01 4.691e-02 4.264e-02 1.751e-02 / CHEB/ -7.627e-02 1.594e-02 6.426e-03 8.646e-03 /

902.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.0	-9.1	-5.9	-4.9
log₁₀(k(10 bar)/[mole,m,s])	-22.3	-8.9	-5.3	-4.1

Chebyshev(coeffs=[[-21.4763,0.204101,-0.300361,-0.0285748],[17.5368,1.04132,0.00206113,-0.0191006],[-0.47139,0.394071,0.0715133,-0.0111674],[-0.342233,0.0479134,0.0569107,0.000445452],[-0.24129,-0.019373,0.0226241,0.00939432],[-0.0361457,-0.0015761,0.0001098,0.00635441]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.64
S298 (cal/mol*K) = -2.79
G298 (kcal/mol) = 48.47

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(172); C7H10(18)(+M)=>C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.148e+01 2.041e-01 -3.004e-01 -2.857e-02 / CHEB/ 1.754e+01 1.041e+00 2.061e-03 -1.910e-02 / CHEB/ -4.714e-01 3.941e-01 7.151e-02 -1.117e-02 / CHEB/ -3.422e-01 4.791e-02 5.691e-02 4.455e-04 / CHEB/ -2.413e-01 -1.937e-02 2.262e-02 9.394e-03 / CHEB/ -3.615e-02 -1.576e-03 1.098e-04 6.354e-03 /

903.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.6	-7.5	-4.5	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-19.9	-7.3	-3.9	-2.8

Chebyshev(coeffs=[[-19.2332,0.113858,-0.291719,-0.0221134],[16.6584,1.01374,-0.0140872,-0.0237408],[-0.528649,0.411034,0.0584399,-0.00904755],[-0.374299,0.0711724,0.0542311,-0.00148117],[-0.190648,-0.00944373,0.0265178,0.00668373],[-0.063206,8.66811e-05,0.00277168,0.00603524]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.82
S298 (cal/mol*K) = -1.31
G298 (kcal/mol) = 39.21

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(173); C7H10(18)(+M)=>C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.923e+01 1.139e-01 -2.917e-01 -2.211e-02 / CHEB/ 1.666e+01 1.014e+00 -1.409e-02 -2.374e-02 / CHEB/ -5.286e-01 4.110e-01 5.844e-02 -9.048e-03 / CHEB/ -3.743e-01 7.117e-02 5.423e-02 -1.481e-03 / CHEB/ -1.906e-01 -9.444e-03 2.652e-02 6.684e-03 / CHEB/ -6.321e-02 8.668e-05 2.772e-03 6.035e-03 /

904.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-4.6	-2.5	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-4.7	-2.2	-1.5

Chebyshev(coeffs=[[-12.9559,-0.23551,-0.187547,-0.000464818],[11.4774,0.88138,-0.136312,-0.0269841],[-0.189485,0.435409,0.02338,-0.0223118],[-0.338689,0.137689,0.0474175,0.00401931],[-0.216506,0.0309047,0.0295459,0.00752027],[-0.0779299,0.0103828,0.00808229,0.00146452]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.69
S298 (cal/mol*K) = -6.70
G298 (kcal/mol) = 25.69

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(174); C7H10(18)(+M)=>C7H10(174)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.296e+01 -2.355e-01 -1.875e-01 -4.648e-04 / CHEB/ 1.148e+01 8.814e-01 -1.363e-01 -2.698e-02 / CHEB/ -1.895e-01 4.354e-01 2.338e-02 -2.231e-02 / CHEB/ -3.387e-01 1.377e-01 4.742e-02 4.019e-03 / CHEB/ -2.165e-01 3.090e-02 2.955e-02 7.520e-03 / CHEB/ -7.793e-02 1.038e-02 8.082e-03 1.465e-03 /

905.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-7.9	-4.9	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-7.7	-4.4	-3.3

Chebyshev(coeffs=[[-19.811,0.141051,-0.295073,-0.0244665],[16.841,1.01957,-0.00912144,-0.0217168],[-0.582946,0.406092,0.0619645,-0.00986452],[-0.385519,0.0647042,0.055036,-0.00115403],[-0.191498,-0.0123713,0.025542,0.00749018],[-0.0632239,-0.000260889,0.00200488,0.00620503]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.99
S298 (cal/mol*K) = -1.08
G298 (kcal/mol) = 45.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(175); C7H10(18)(+M)=>C7H10(175)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.981e+01 1.411e-01 -2.951e-01 -2.447e-02 / CHEB/ 1.684e+01 1.020e+00 -9.121e-03 -2.172e-02 / CHEB/ -5.829e-01 4.061e-01 6.196e-02 -9.865e-03 / CHEB/ -3.855e-01 6.470e-02 5.504e-02 -1.154e-03 / CHEB/ -1.915e-01 -1.237e-02 2.554e-02 7.490e-03 / CHEB/ -6.322e-02 -2.609e-04 2.005e-03 6.205e-03 /

906.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.1	-6.8	-4.1	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-6.7	-3.6	-2.6

Chebyshev(coeffs=[[-17.7008,0.0117666,-0.275463,-0.0114244],[15.2646,0.98763,-0.0358597,-0.0333725],[-0.461031,0.425283,0.0467111,-0.00671273],[-0.371907,0.0938291,0.0505673,-0.000994073],[-0.201045,0.00215127,0.0289913,0.00413859],[-0.0683388,0.00223009,0.00541701,0.00474913]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.82
S298 (cal/mol*K) = -1.31
G298 (kcal/mol) = 39.21

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(176); C7H10(18)(+M)=>C7H10(176)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.770e+01 1.177e-02 -2.755e-01 -1.142e-02 / CHEB/ 1.526e+01 9.876e-01 -3.586e-02 -3.337e-02 / CHEB/ -4.610e-01 4.253e-01 4.671e-02 -6.713e-03 / CHEB/ -3.719e-01 9.383e-02 5.057e-02 -9.941e-04 / CHEB/ -2.010e-01 2.151e-03 2.899e-02 4.139e-03 / CHEB/ -6.834e-02 2.230e-03 5.417e-03 4.749e-03 /

907.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-8.9	-5.7	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-22.0	-8.6	-5.1	-3.9

Chebyshev(coeffs=[[-21.3146,0.191254,-0.300609,-0.028103],[17.674,1.02914,-0.000322991,-0.0189202],[-0.567668,0.395602,0.0688163,-0.0112929],[-0.372224,0.0523898,0.0561661,-4.88023e-05],[-0.181947,-0.0174871,0.0233943,0.00899175],[-0.0594422,-0.000636606,0.000580688,0.00630485]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.64
S298 (cal/mol*K) = -2.79
G298 (kcal/mol) = 48.47

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(177); C7H10(18)(+M)=>C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.131e+01 1.913e-01 -3.006e-01 -2.810e-02 / CHEB/ 1.767e+01 1.029e+00 -3.230e-04 -1.892e-02 / CHEB/ -5.677e-01 3.956e-01 6.882e-02 -1.129e-02 / CHEB/ -3.722e-01 5.239e-02 5.617e-02 -4.880e-05 / CHEB/ -1.819e-01 -1.749e-02 2.339e-02 8.992e-03 / CHEB/ -5.944e-02 -6.366e-04 5.807e-04 6.305e-03 /

908.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-6.6	-3.7	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-18.4	-6.5	-3.3	-2.2

Chebyshev(coeffs=[[-17.6345,0.0294807,-0.278819,-0.0134273],[15.5949,0.992618,-0.0315679,-0.0315843],[-0.455764,0.423294,0.048551,-0.00696253],[-0.367299,0.0901031,0.0512329,-0.00126081],[-0.19756,9.91887e-05,0.0286949,0.00449312],[-0.0668302,0.00178074,0.00499525,0.00503455]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.02
S298 (cal/mol*K) = -1.73
G298 (kcal/mol) = 41.54

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(178); C7H10(18)(+M)=>C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.763e+01 2.948e-02 -2.788e-01 -1.343e-02 / CHEB/ 1.559e+01 9.926e-01 -3.157e-02 -3.158e-02 / CHEB/ -4.558e-01 4.233e-01 4.855e-02 -6.963e-03 / CHEB/ -3.673e-01 9.010e-02 5.123e-02 -1.261e-03 / CHEB/ -1.976e-01 9.919e-05 2.869e-02 4.493e-03 / CHEB/ -6.683e-02 1.781e-03 4.995e-03 5.035e-03 /

909.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-7.9	-4.9	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-7.7	-4.4	-3.3

H298 (kcal/mol) = 44.99
S298 (cal/mol*K) = -1.08
G298 (kcal/mol) = 45.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(179); C7H10(18)(+M)=>C7H10(179)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.981e+01 1.411e-01 -2.951e-01 -2.447e-02 / CHEB/ 1.684e+01 1.020e+00 -9.121e-03 -2.172e-02 / CHEB/ -5.829e-01 4.061e-01 6.196e-02 -9.865e-03 / CHEB/ -3.855e-01 6.470e-02 5.504e-02 -1.154e-03 / CHEB/ -1.915e-01 -1.237e-02 2.554e-02 7.490e-03 / CHEB/ -6.322e-02 -2.609e-04 2.005e-03 6.205e-03 /

910.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-6.6	-3.9	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-18.1	-6.5	-3.4	-2.4

Chebyshev(coeffs=[[-17.2599,-0.0140176,-0.270066,-0.00847984],[15.0088,0.979982,-0.0426286,-0.0359222],[-0.417047,0.427851,0.0441756,-0.0065376],[-0.363342,0.0990851,0.0496197,-0.000488233],[-0.201063,0.00514001,0.0293325,0.00371743],[-0.0687881,0.00293548,0.00599094,0.00429905]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.02
S298 (cal/mol*K) = -1.73
G298 (kcal/mol) = 41.54

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(180); C7H10(18)(+M)=>C7H10(180)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.726e+01 -1.402e-02 -2.701e-01 -8.480e-03 / CHEB/ 1.501e+01 9.800e-01 -4.263e-02 -3.592e-02 / CHEB/ -4.170e-01 4.279e-01 4.418e-02 -6.538e-03 / CHEB/ -3.633e-01 9.909e-02 4.962e-02 -4.882e-04 / CHEB/ -2.011e-01 5.140e-03 2.933e-02 3.717e-03 / CHEB/ -6.879e-02 2.935e-03 5.991e-03 4.299e-03 /

911.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-2.4	+0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-2.4	+0.5	+1.3

Chebyshev(coeffs=[[-12.0395,-0.120012,-0.239712,0.00204525],[13.4902,0.942701,-0.0789554,-0.0427105],[-0.310628,0.434408,0.0352601,-0.00918917],[-0.350396,0.118794,0.0466201,0.00244019],[-0.208495,0.0174258,0.0297435,0.00357599],[-0.0733138,0.00627656,0.00773721,0.0023378]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.88
S298 (cal/mol*K) = 4.98
G298 (kcal/mol) = 37.40

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(181); C7H10(18)(+M)=>C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.204e+01 -1.200e-01 -2.397e-01 2.045e-03 / CHEB/ 1.349e+01 9.427e-01 -7.896e-02 -4.271e-02 / CHEB/ -3.106e-01 4.344e-01 3.526e-02 -9.189e-03 / CHEB/ -3.504e-01 1.188e-01 4.662e-02 2.440e-03 / CHEB/ -2.085e-01 1.743e-02 2.974e-02 3.576e-03 / CHEB/ -7.331e-02 6.277e-03 7.737e-03 2.338e-03 /

912.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.8	-2.3	+1.1	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-2.0	+1.7	+3.0

Chebyshev(coeffs=[[-15.3141,0.262222,-0.306697,-0.0315475],[18.5246,1.04468,0.0124381,-0.0173603],[-0.533762,0.377756,0.0796482,-0.0124488],[-0.386182,0.0346042,0.0570097,0.00251226],[-0.226673,-0.0226718,0.0194348,0.0108976],[-0.0612212,-0.000395016,-0.00147299,0.00596274]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.73
S298 (cal/mol*K) = 12.63
G298 (kcal/mol) = 35.96

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(182); C7H10(18)(+M)=>C7H10(182)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.531e+01 2.622e-01 -3.067e-01 -3.155e-02 / CHEB/ 1.852e+01 1.045e+00 1.244e-02 -1.736e-02 / CHEB/ -5.338e-01 3.778e-01 7.965e-02 -1.245e-02 / CHEB/ -3.862e-01 3.460e-02 5.701e-02 2.512e-03 / CHEB/ -2.267e-01 -2.267e-02 1.943e-02 1.090e-02 / CHEB/ -6.122e-02 -3.950e-04 -1.473e-03 5.963e-03 /

913.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.8	-2.3	+1.1	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-2.0	+1.7	+3.0

H298 (kcal/mol) = 39.73
S298 (cal/mol*K) = 11.25
G298 (kcal/mol) = 36.37

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(183); C7H10(18)(+M)=>C7H10(183)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.531e+01 2.622e-01 -3.067e-01 -3.155e-02 / CHEB/ 1.852e+01 1.045e+00 1.244e-02 -1.736e-02 / CHEB/ -5.338e-01 3.778e-01 7.965e-02 -1.245e-02 / CHEB/ -3.862e-01 3.460e-02 5.701e-02 2.512e-03 / CHEB/ -2.267e-01 -2.267e-02 1.943e-02 1.090e-02 / CHEB/ -6.122e-02 -3.950e-04 -1.473e-03 5.963e-03 /

914.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-2.4	+1.0	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-2.1	+1.7	+3.0

Chebyshev(coeffs=[[-15.5224,0.278874,-0.309207,-0.0322352],[18.7512,1.04113,0.0152665,-0.017208],[-0.607353,0.373301,0.0812861,-0.012903],[-0.36806,0.0304148,0.0566324,0.00324405],[-0.172455,-0.0251077,0.0187009,0.0113206],[-0.055832,-0.000388923,-0.00176862,0.00582272]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.85
S298 (cal/mol*K) = 12.25
G298 (kcal/mol) = 37.20

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(184); C7H10(18)(+M)=>C7H10(184)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.552e+01 2.789e-01 -3.092e-01 -3.224e-02 / CHEB/ 1.875e+01 1.041e+00 1.527e-02 -1.721e-02 / CHEB/ -6.074e-01 3.733e-01 8.129e-02 -1.290e-02 / CHEB/ -3.681e-01 3.041e-02 5.663e-02 3.244e-03 / CHEB/ -1.725e-01 -2.511e-02 1.870e-02 1.132e-02 / CHEB/ -5.583e-02 -3.889e-04 -1.769e-03 5.823e-03 /

915.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.1	-6.7	-3.7	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-6.5	-3.1	-2.0

Chebyshev(coeffs=[[-18.7411,0.144852,-0.29552,-0.0247745],[17.004,1.02035,-0.00844325,-0.0214608],[-0.559961,0.405361,0.0624683,-0.00997862],[-0.378056,0.0637842,0.0551393,-0.00109254],[-0.188629,-0.0127765,0.0253954,0.00760408],[-0.0621702,-0.000306008,0.00189837,0.00622255]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.11
S298 (cal/mol*K) = -6.56
G298 (kcal/mol) = 48.07

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(185); C7H10(18)(+M)=>C7H10(185)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.874e+01 1.449e-01 -2.955e-01 -2.477e-02 / CHEB/ 1.700e+01 1.020e+00 -8.443e-03 -2.146e-02 / CHEB/ -5.600e-01 4.054e-01 6.247e-02 -9.979e-03 / CHEB/ -3.781e-01 6.378e-02 5.514e-02 -1.093e-03 / CHEB/ -1.886e-01 -1.278e-02 2.540e-02 7.604e-03 / CHEB/ -6.217e-02 -3.060e-04 1.898e-03 6.223e-03 /

916.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.3	-0.8	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-2.5	-0.6	-0.2

Chebyshev(coeffs=[[-8.92311,-0.321652,-0.143689,-0.041518],[8.82528,0.753219,-0.16256,0.0425032],[-0.113707,0.43892,-0.0167163,-0.0449673],[-0.351598,0.155411,0.053166,-0.00567667],[-0.22667,0.0429334,0.0350728,0.0153966],[-0.0814613,0.0145427,0.00640537,0.00500333]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.99
S298 (cal/mol*K) = -15.77
G298 (kcal/mol) = 27.69

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(186); C7H10(18)(+M)=>C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.923e+00 -3.217e-01 -1.437e-01 -4.152e-02 / CHEB/ 8.825e+00 7.532e-01 -1.626e-01 4.250e-02 / CHEB/ -1.137e-01 4.389e-01 -1.672e-02 -4.497e-02 / CHEB/ -3.516e-01 1.554e-01 5.317e-02 -5.677e-03 / CHEB/ -2.267e-01 4.293e-02 3.507e-02 1.540e-02 / CHEB/ -8.146e-02 1.454e-02 6.405e-03 5.003e-03 /

917.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-2.4	+0.8	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-13.8	-1.6	+1.7	+2.8

Chebyshev(coeffs=[[-14.2964,1.42421,-0.321583,-0.11506],[17.2678,0.382574,0.192689,0.0496506],[-0.694363,0.0298225,0.0205242,0.0103769],[-0.244808,-0.0224724,-0.00839912,0.000561768],[-0.136509,0.0082191,0.00577975,0.00338131],[-0.0731271,0.0157817,0.00888626,0.00337676]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.76
S298 (cal/mol*K) = 24.62
G298 (kcal/mol) = 53.42

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C4H5(156); C7H10(18), C3H5(129); C7H10(18)(+M)=>C4H5(156)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.430e+01 1.424e+00 -3.216e-01 -1.151e-01 / CHEB/ 1.727e+01 3.826e-01 1.927e-01 4.965e-02 / CHEB/ -6.944e-01 2.982e-02 2.052e-02 1.038e-02 / CHEB/ -2.448e-01 -2.247e-02 -8.399e-03 5.618e-04 / CHEB/ -1.365e-01 8.219e-03 5.780e-03 3.381e-03 / CHEB/ -7.313e-02 1.578e-02 8.886e-03 3.377e-03 /

918.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.9	-6.2	-1.9	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-5.3	-1.0	+0.7

Chebyshev(coeffs=[[-20.298,1.54879,-0.266536,-0.107882],[20.8964,0.291793,0.159784,0.0527292],[-0.518867,0.0260542,0.0166521,0.00780086],[-0.20298,-0.0163052,-0.006519,0.000131875],[-0.128319,0.00936382,0.00613217,0.00314709],[-0.0723404,0.0129484,0.00766651,0.00318174]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.58
S298 (cal/mol*K) = 14.98
G298 (kcal/mol) = 66.11

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(187); C7H10(18)(+M)=>H(25)+C7H9(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.030e+01 1.549e+00 -2.665e-01 -1.079e-01 / CHEB/ 2.090e+01 2.918e-01 1.598e-01 5.273e-02 / CHEB/ -5.189e-01 2.605e-02 1.665e-02 7.801e-03 / CHEB/ -2.030e-01 -1.631e-02 -6.519e-03 1.319e-04 / CHEB/ -1.283e-01 9.364e-03 6.132e-03 3.147e-03 / CHEB/ -7.234e-02 1.295e-02 7.667e-03 3.182e-03 /

919.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-3.7	-0.1	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-2.9	+0.7	+2.2

Chebyshev(coeffs=[[-15.307,1.33896,-0.353532,-0.114879],[17.1709,0.446717,0.210688,0.0435272],[-0.396626,0.0347941,0.024499,0.0121331],[-0.154293,-0.0269035,-0.00929697,0.00120043],[-0.103229,0.00676747,0.00530887,0.00359761],[-0.059343,0.0170763,0.00927141,0.00335109]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.48
S298 (cal/mol*K) = 7.42
G298 (kcal/mol) = 55.26

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(188); C7H10(18)(+M)=>H(25)+C7H9(188)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.531e+01 1.339e+00 -3.535e-01 -1.149e-01 / CHEB/ 1.717e+01 4.467e-01 2.107e-01 4.353e-02 / CHEB/ -3.966e-01 3.479e-02 2.450e-02 1.213e-02 / CHEB/ -1.543e-01 -2.690e-02 -9.297e-03 1.200e-03 / CHEB/ -1.032e-01 6.767e-03 5.309e-03 3.598e-03 / CHEB/ -5.934e-02 1.708e-02 9.271e-03 3.351e-03 /

920.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.4	-7.7	-2.8	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-6.8	-1.8	+0.2

Chebyshev(coeffs=[[-23.6398,1.63439,-0.223126,-0.0967939],[23.7882,0.233579,0.134191,0.0502247],[-0.532606,0.0262869,0.015942,0.00678805],[-0.21774,-0.01288,-0.00527734,5.25545e-05],[-0.137179,0.00880093,0.00571697,0.0028648],[-0.0758152,0.0101327,0.00618392,0.00272086]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.08
S298 (cal/mol*K) = 15.62
G298 (kcal/mol) = 75.42

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(189); C7H10(18)(+M)=>H(25)+C7H9(189)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.364e+01 1.634e+00 -2.231e-01 -9.679e-02 / CHEB/ 2.379e+01 2.336e-01 1.342e-01 5.022e-02 / CHEB/ -5.326e-01 2.629e-02 1.594e-02 6.788e-03 / CHEB/ -2.177e-01 -1.288e-02 -5.277e-03 5.255e-05 / CHEB/ -1.372e-01 8.801e-03 5.717e-03 2.865e-03 / CHEB/ -7.582e-02 1.013e-02 6.184e-03 2.721e-03 /

921.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.8	-6.0	-1.9	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-19.1	-5.2	-1.0	+0.8

Chebyshev(coeffs=[[-19.2778,1.49711,-0.29024,-0.111683],[19.7249,0.335395,0.177422,0.053108],[-0.408236,0.0267222,0.0179762,0.00903717],[-0.12759,-0.0195179,-0.00771609,0.000157483],[-0.100344,0.00876557,0.00584437,0.00313488],[-0.04545,0.013789,0.00802764,0.00323686]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.28
S298 (cal/mol*K) = 7.30
G298 (kcal/mol) = 63.10

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(190); C7H10(18)(+M)=>H(25)+C7H9(190)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.928e+01 1.497e+00 -2.902e-01 -1.117e-01 / CHEB/ 1.972e+01 3.354e-01 1.774e-01 5.311e-02 / CHEB/ -4.082e-01 2.672e-02 1.798e-02 9.037e-03 / CHEB/ -1.276e-01 -1.952e-02 -7.716e-03 1.575e-04 / CHEB/ -1.003e-01 8.766e-03 5.844e-03 3.135e-03 / CHEB/ -4.545e-02 1.379e-02 8.028e-03 3.237e-03 /

922.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.2	-9.9	-4.6	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-27.3	-9.0	-3.6	-1.4

Chebyshev(coeffs=[[-27.2283,1.67653,-0.200208,-0.0894222],[25.8323,0.207329,0.121612,0.0478992],[-0.530802,0.0268638,0.016107,0.00668623],[-0.224571,-0.011742,-0.00491161,-4.07006e-05],[-0.140815,0.00785702,0.00512712,0.00258433],[-0.0765704,0.00843231,0.00520698,0.00234417]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.58
S298 (cal/mol*K) = 12.92
G298 (kcal/mol) = 82.72

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(191); C7H10(18)(+M)=>H(25)+C7H9(191)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.723e+01 1.677e+00 -2.002e-01 -8.942e-02 / CHEB/ 2.583e+01 2.073e-01 1.216e-01 4.790e-02 / CHEB/ -5.308e-01 2.686e-02 1.611e-02 6.686e-03 / CHEB/ -2.246e-01 -1.174e-02 -4.912e-03 -4.070e-05 / CHEB/ -1.408e-01 7.857e-03 5.127e-03 2.584e-03 / CHEB/ -7.657e-02 8.432e-03 5.207e-03 2.344e-03 /

923.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.2	-9.9	-4.6	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-27.3	-9.0	-3.6	-1.4

H298 (kcal/mol) = 86.58
S298 (cal/mol*K) = 12.92
G298 (kcal/mol) = 82.72

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(192); C7H10(18)(+M)=>H(25)+C7H9(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.723e+01 1.677e+00 -2.002e-01 -8.942e-02 / CHEB/ 2.583e+01 2.073e-01 1.216e-01 4.790e-02 / CHEB/ -5.308e-01 2.686e-02 1.611e-02 6.686e-03 / CHEB/ -2.246e-01 -1.174e-02 -4.912e-03 -4.070e-05 / CHEB/ -1.408e-01 7.857e-03 5.127e-03 2.584e-03 / CHEB/ -7.657e-02 8.432e-03 5.207e-03 2.344e-03 /

924.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-5.7	-1.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-21.0	-4.8	-0.2	+1.6

Chebyshev(coeffs=[[-21.1281,1.6248,-0.228203,-0.0982968],[22.8532,0.239845,0.137107,0.0506769],[-0.651056,0.026158,0.0159338,0.00684729],[-0.251333,-0.0132055,-0.00539472,6.264e-05],[-0.147879,0.00894399,0.005808,0.00291097],[-0.0796329,0.0104922,0.0063834,0.0027916]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.08
S298 (cal/mol*K) = 24.35
G298 (kcal/mol) = 68.82

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C6H8(193); C7H10(18), CH2(137); C7H10(18)(+M)=>C6H8(193)+CH2(137)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.113e+01 1.625e+00 -2.282e-01 -9.830e-02 / CHEB/ 2.285e+01 2.398e-01 1.371e-01 5.068e-02 / CHEB/ -6.511e-01 2.616e-02 1.593e-02 6.847e-03 / CHEB/ -2.513e-01 -1.321e-02 -5.395e-03 6.264e-05 / CHEB/ -1.479e-01 8.944e-03 5.808e-03 2.911e-03 / CHEB/ -7.963e-02 1.049e-02 6.383e-03 2.792e-03 /

925.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	+0.2	+2.3	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+0.8	+3.1	+3.9

Chebyshev(coeffs=[[-7.757,0.79453,-0.446816,-0.0723153],[11.3436,0.852042,0.217331,-0.0174452],[-0.387932,0.101709,0.0564921,0.0105978],[-0.157283,-0.0502004,-0.00159454,0.00679699],[-0.0904636,-0.00772859,0.00395275,0.0069266],[-0.0410539,0.0188375,0.00759626,0.00356588]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.00
S298 (cal/mol*K) = -5.86
G298 (kcal/mol) = 33.75

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(194); C7H10(18)(+M)=>C7H10(194)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.757e+00 7.945e-01 -4.468e-01 -7.232e-02 / CHEB/ 1.134e+01 8.520e-01 2.173e-01 -1.745e-02 / CHEB/ -3.879e-01 1.017e-01 5.649e-02 1.060e-02 / CHEB/ -1.573e-01 -5.020e-02 -1.595e-03 6.797e-03 / CHEB/ -9.046e-02 -7.729e-03 3.953e-03 6.927e-03 / CHEB/ -4.105e-02 1.884e-02 7.596e-03 3.566e-03 /

926.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	+0.3	+2.5	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+0.9	+3.2	+4.1

Chebyshev(coeffs=[[-7.76297,0.80006,-0.446858,-0.0727888],[11.4989,0.847682,0.218149,-0.0169469],[-0.364002,0.101053,0.0562544,0.0107071],[-0.14957,-0.0499735,-0.00177917,0.00676871],[-0.0881505,-0.00753977,0.00391423,0.00688363],[-0.0402438,0.0187725,0.00763893,0.00355892]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.40
S298 (cal/mol*K) = -5.21
G298 (kcal/mol) = 33.95

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(195); C7H10(18)(+M)=>C7H10(195)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.763e+00 8.001e-01 -4.469e-01 -7.279e-02 / CHEB/ 1.150e+01 8.477e-01 2.181e-01 -1.695e-02 / CHEB/ -3.640e-01 1.011e-01 5.625e-02 1.071e-02 / CHEB/ -1.496e-01 -4.997e-02 -1.779e-03 6.769e-03 / CHEB/ -8.815e-02 -7.540e-03 3.914e-03 6.884e-03 / CHEB/ -4.024e-02 1.877e-02 7.639e-03 3.559e-03 /

927.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-1.2	+1.7	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-0.4	+2.5	+3.7

Chebyshev(coeffs=[[-11.0387,1.11029,-0.415918,-0.101518],[14.3915,0.619114,0.236302,0.0182219],[-0.365825,0.0568954,0.0382674,0.0144655],[-0.142996,-0.0381827,-0.00907082,0.00382191],[-0.0924651,0.00130008,0.00397963,0.00465088],[-0.0497574,0.0189168,0.00918606,0.00318843]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.00
S298 (cal/mol*K) = -5.86
G298 (kcal/mol) = 33.75

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(196); C7H10(18)(+M)=>C7H10(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.104e+01 1.110e+00 -4.159e-01 -1.015e-01 / CHEB/ 1.439e+01 6.191e-01 2.363e-01 1.822e-02 / CHEB/ -3.658e-01 5.690e-02 3.827e-02 1.447e-02 / CHEB/ -1.430e-01 -3.818e-02 -9.071e-03 3.822e-03 / CHEB/ -9.247e-02 1.300e-03 3.980e-03 4.651e-03 / CHEB/ -4.976e-02 1.892e-02 9.186e-03 3.188e-03 /

928.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-1.4	+1.4	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-0.7	+2.2	+3.6

Chebyshev(coeffs=[[-11.0089,1.11891,-0.413446,-0.101766],[14.2334,0.619178,0.238016,0.0192926],[-0.550124,0.0573716,0.0385584,0.0146923],[-0.0925769,-0.0390409,-0.00950243,0.00381458],[0.0721879,-0.000438809,0.00331637,0.00462028],[-0.0276179,0.018473,0.00899383,0.00314713]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.40
S298 (cal/mol*K) = -5.21
G298 (kcal/mol) = 33.95

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(197); C7H10(18)(+M)=>C7H10(197)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.101e+01 1.119e+00 -4.134e-01 -1.018e-01 / CHEB/ 1.423e+01 6.192e-01 2.380e-01 1.929e-02 / CHEB/ -5.501e-01 5.737e-02 3.856e-02 1.469e-02 / CHEB/ -9.258e-02 -3.904e-02 -9.502e-03 3.815e-03 / CHEB/ 7.219e-02 -4.388e-04 3.316e-03 4.620e-03 / CHEB/ -2.762e-02 1.847e-02 8.994e-03 3.147e-03 /

929.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-1.2	+1.7	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-0.4	+2.5	+3.7

H298 (kcal/mol) = 32.00
S298 (cal/mol*K) = -4.48
G298 (kcal/mol) = 33.34

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(198); C7H10(18)(+M)=>C7H10(198)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.104e+01 1.110e+00 -4.159e-01 -1.015e-01 / CHEB/ 1.439e+01 6.191e-01 2.363e-01 1.822e-02 / CHEB/ -3.658e-01 5.690e-02 3.827e-02 1.447e-02 / CHEB/ -1.430e-01 -3.818e-02 -9.071e-03 3.822e-03 / CHEB/ -9.247e-02 1.300e-03 3.980e-03 4.651e-03 / CHEB/ -4.976e-02 1.892e-02 9.186e-03 3.188e-03 /

930.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-0.8	+1.1	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-0.2	+1.9	+2.6

Chebyshev(coeffs=[[-8.11191,0.661253,-0.443346,-0.0627403],[10.3693,0.946132,0.194251,-0.0259631],[-0.369149,0.12518,0.0613071,0.00663998],[-0.157785,-0.0535267,0.00356167,0.00682807],[-0.088486,-0.01172,0.00509436,0.0079385],[-0.0369422,0.0180953,0.00683552,0.00409563]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.00
S298 (cal/mol*K) = -5.86
G298 (kcal/mol) = 33.75

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(199); C7H10(18)(+M)=>C7H10(199)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.112e+00 6.613e-01 -4.433e-01 -6.274e-02 / CHEB/ 1.037e+01 9.461e-01 1.943e-01 -2.596e-02 / CHEB/ -3.691e-01 1.252e-01 6.131e-02 6.640e-03 / CHEB/ -1.578e-01 -5.353e-02 3.562e-03 6.828e-03 / CHEB/ -8.849e-02 -1.172e-02 5.094e-03 7.938e-03 / CHEB/ -3.694e-02 1.810e-02 6.836e-03 4.096e-03 /

931.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-2.4	+0.2	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-1.7	+1.0	+2.0

Chebyshev(coeffs=[[-11.4347,0.991811,-0.434735,-0.0907113],[13.0943,0.707271,0.236053,0.00360484],[-0.386962,0.072306,0.0458068,0.0139371],[-0.150409,-0.0432617,-0.00719249,0.00522687],[-0.0921222,-0.00203324,0.00360152,0.00544214],[-0.0466373,0.019179,0.00870526,0.00321066]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.50
S298 (cal/mol*K) = -5.21
G298 (kcal/mol) = 43.05

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(200); C7H10(18)(+M)=>C7H10(200)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.143e+01 9.918e-01 -4.347e-01 -9.071e-02 / CHEB/ 1.309e+01 7.073e-01 2.361e-01 3.605e-03 / CHEB/ -3.870e-01 7.231e-02 4.581e-02 1.394e-02 / CHEB/ -1.504e-01 -4.326e-02 -7.192e-03 5.227e-03 / CHEB/ -9.212e-02 -2.033e-03 3.602e-03 5.442e-03 / CHEB/ -4.664e-02 1.918e-02 8.705e-03 3.211e-03 /

932.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-2.6	-0.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-1.9	+0.7	+1.7

Chebyshev(coeffs=[[-11.6054,0.991811,-0.434735,-0.0907113],[13.0276,0.707271,0.236053,0.00360484],[-0.401702,0.072306,0.0458068,0.0139371],[-0.154749,-0.0432617,-0.00719249,0.00522687],[-0.093559,-0.00203324,0.00360152,0.00544214],[-0.0471435,0.019179,0.00870526,0.00321066]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.50
S298 (cal/mol*K) = -5.21
G298 (kcal/mol) = 43.05

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(201); C7H10(18)(+M)=>C7H10(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.161e+01 9.918e-01 -4.347e-01 -9.071e-02 / CHEB/ 1.303e+01 7.073e-01 2.361e-01 3.605e-03 / CHEB/ -4.017e-01 7.231e-02 4.581e-02 1.394e-02 / CHEB/ -1.547e-01 -4.326e-02 -7.192e-03 5.227e-03 / CHEB/ -9.356e-02 -2.033e-03 3.602e-03 5.442e-03 / CHEB/ -4.714e-02 1.918e-02 8.705e-03 3.211e-03 /

933.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	+0.6	+2.8	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-7.0	+1.2	+3.5	+4.4

Chebyshev(coeffs=[[-7.16059,0.71967,-0.445882,-0.0664726],[11.1263,0.905444,0.205222,-0.0229901],[-0.302486,0.114436,0.0595031,0.00853066],[-0.135435,-0.052232,0.00119306,0.00695026],[-0.0819694,-0.00994978,0.0044908,0.00750311],[-0.0361543,0.0184731,0.0071573,0.00383087]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.00
S298 (cal/mol*K) = -3.27
G298 (kcal/mol) = 34.97

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(202); C7H10(18)(+M)=>C7H10(202)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.161e+00 7.197e-01 -4.459e-01 -6.647e-02 / CHEB/ 1.113e+01 9.054e-01 2.052e-01 -2.299e-02 / CHEB/ -3.025e-01 1.144e-01 5.950e-02 8.531e-03 / CHEB/ -1.354e-01 -5.223e-02 1.193e-03 6.950e-03 / CHEB/ -8.197e-02 -9.950e-03 4.491e-03 7.503e-03 / CHEB/ -3.615e-02 1.847e-02 7.157e-03 3.831e-03 /

934.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-1.0	+1.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-0.3	+2.6	+3.8

Chebyshev(coeffs=[[-10.6471,1.0797,-0.421639,-0.0988589],[14.0825,0.642136,0.237117,0.0144078],[-0.361728,0.0604377,0.0402218,0.0144709],[-0.142334,-0.0395095,-0.00870309,0.00419303],[-0.0915907,0.000567062,0.0038585,0.00482847],[-0.0484598,0.0189494,0.00907816,0.00319236]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.56
S298 (cal/mol*K) = -1.62
G298 (kcal/mol) = 45.04

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(203); C7H10(18)(+M)=>C7H10(203)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.065e+01 1.080e+00 -4.216e-01 -9.886e-02 / CHEB/ 1.408e+01 6.421e-01 2.371e-01 1.441e-02 / CHEB/ -3.617e-01 6.044e-02 4.022e-02 1.447e-02 / CHEB/ -1.423e-01 -3.951e-02 -8.703e-03 4.193e-03 / CHEB/ -9.159e-02 5.671e-04 3.858e-03 4.828e-03 / CHEB/ -4.846e-02 1.895e-02 9.078e-03 3.192e-03 /

935.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-1.2	+2.9	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-0.4	+3.8	+5.5

Chebyshev(coeffs=[[-14.6043,1.48779,-0.294546,-0.112432],[19.8168,0.338703,0.178168,0.0524547],[-0.350134,0.0261996,0.017791,0.00904204],[-0.18452,-0.0191437,-0.00744827,0.000281134],[-0.168073,0.00971384,0.00637047,0.00331835],[-0.0716117,0.0144348,0.00835541,0.00332679]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.41
S298 (cal/mol*K) = 6.03
G298 (kcal/mol) = 43.61

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(204); C7H10(18)(+M)=>C7H10(204)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.460e+01 1.488e+00 -2.945e-01 -1.124e-01 / CHEB/ 1.982e+01 3.387e-01 1.782e-01 5.245e-02 / CHEB/ -3.501e-01 2.620e-02 1.779e-02 9.042e-03 / CHEB/ -1.845e-01 -1.914e-02 -7.448e-03 2.811e-04 / CHEB/ -1.681e-01 9.714e-03 6.370e-03 3.318e-03 / CHEB/ -7.161e-02 1.443e-02 8.355e-03 3.327e-03 /

936.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-1.2	+2.9	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-0.4	+3.8	+5.5

H298 (kcal/mol) = 45.41
S298 (cal/mol*K) = 4.65
G298 (kcal/mol) = 44.02

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(205); C7H10(18)(+M)=>C7H10(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.460e+01 1.488e+00 -2.945e-01 -1.124e-01 / CHEB/ 1.982e+01 3.387e-01 1.782e-01 5.245e-02 / CHEB/ -3.501e-01 2.620e-02 1.779e-02 9.042e-03 / CHEB/ -1.845e-01 -1.914e-02 -7.448e-03 2.811e-04 / CHEB/ -1.681e-01 9.714e-03 6.370e-03 3.318e-03 / CHEB/ -7.161e-02 1.443e-02 8.355e-03 3.327e-03 /

937.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.1	+6.0	+5.6	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+6.1	+6.3	+6.1	+5.9

Chebyshev(coeffs=[[11.7615,0.409734,-0.0887013,0.00429588],[-0.225692,0.672137,-0.119901,-0.00620908],[-0.34885,0.383093,-0.0278636,-0.0190783],[-0.129871,0.13469,0.0269419,-0.015605],[-0.0444195,0.00704927,0.0319541,-0.00387343],[-0.00248203,-0.0234904,0.0141471,0.00383161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.07
S298 (cal/mol*K) = -29.25
G298 (kcal/mol) = -39.35

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(5); H(25), C7H9(5); C7H8(58)+H(25)(+M)=>C7H9(5)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.176e+01 4.097e-01 -8.870e-02 4.296e-03 / CHEB/ -2.257e-01 6.721e-01 -1.199e-01 -6.209e-03 / CHEB/ -3.489e-01 3.831e-01 -2.786e-02 -1.908e-02 / CHEB/ -1.299e-01 1.347e-01 2.694e-02 -1.561e-02 / CHEB/ -4.442e-02 7.049e-03 3.195e-02 -3.873e-03 / CHEB/ -2.482e-03 -2.349e-02 1.415e-02 3.832e-03 /

938.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-1.2	+1.6	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-1.4	+1.6	+3.1

Chebyshev(coeffs=[[-3.05039,-0.757924,-0.237694,-0.000701085],[11.9243,0.667047,0.144031,-0.0446397],[0.189643,0.139327,0.0812636,0.0153055],[0.0219116,-0.0473221,0.0081787,0.0189083],[-0.0242298,-0.0498691,-0.0179567,0.00384636],[-0.00460533,-0.0121442,-0.0113051,-0.00429964]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.44
S298 (cal/mol*K) = -1.70
G298 (kcal/mol) = 30.94

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H8(255); H(25), H(25); C7H8(58)+H(25)(+M)=>H(25)+C7H8(255)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.050e+00 -7.579e-01 -2.377e-01 -7.011e-04 / CHEB/ 1.192e+01 6.670e-01 1.440e-01 -4.464e-02 / CHEB/ 1.896e-01 1.393e-01 8.126e-02 1.531e-02 / CHEB/ 2.191e-02 -4.732e-02 8.179e-03 1.891e-02 / CHEB/ -2.423e-02 -4.987e-02 -1.796e-02 3.846e-03 / CHEB/ -4.605e-03 -1.214e-02 -1.131e-02 -4.300e-03 /

939.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.1	+2.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-0.3	+1.9	+2.9

Chebyshev(coeffs=[[0.228884,-1.00993,-0.205364,0.0218162],[8.5286,0.833761,0.05943,-0.0647016],[0.252694,0.212699,0.0933809,-0.00399469],[0.0011868,-0.0403859,0.0344607,0.0210881],[-0.0441785,-0.0619752,-0.00969456,0.0124209],[-0.0115519,-0.0205944,-0.0151607,-0.000772843]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.07
S298 (cal/mol*K) = -22.01
G298 (kcal/mol) = -8.51

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(249); H(25), C7H9(249); C7H8(58)+H(25)(+M)=>C7H9(249)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.289e-01 -1.010e+00 -2.054e-01 2.182e-02 / CHEB/ 8.529e+00 8.338e-01 5.943e-02 -6.470e-02 / CHEB/ 2.527e-01 2.127e-01 9.338e-02 -3.995e-03 / CHEB/ 1.187e-03 -4.039e-02 3.446e-02 2.109e-02 / CHEB/ -4.418e-02 -6.198e-02 -9.695e-03 1.242e-02 / CHEB/ -1.155e-02 -2.059e-02 -1.516e-02 -7.728e-04 /

940.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	+0.5	+2.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+0.2	+2.3	+3.3

Chebyshev(coeffs=[[1.10637,-1.05239,-0.195405,0.022702],[7.98566,0.858499,0.0411637,-0.0634443],[0.267358,0.226603,0.0932264,-0.00810107],[-0.00278401,-0.0380907,0.0393258,0.0202007],[-0.0476011,-0.0637624,-0.00737976,0.0137372],[-0.0125602,-0.022129,-0.0154807,0.000155288]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.07
S298 (cal/mol*K) = -22.01
G298 (kcal/mol) = -8.51

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(248); H(25), C7H9(248); C7H8(58)+H(25)(+M)=>C7H9(248)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.106e+00 -1.052e+00 -1.954e-01 2.270e-02 / CHEB/ 7.986e+00 8.585e-01 4.116e-02 -6.344e-02 / CHEB/ 2.674e-01 2.266e-01 9.323e-02 -8.101e-03 / CHEB/ -2.784e-03 -3.809e-02 3.933e-02 2.020e-02 / CHEB/ -4.760e-02 -6.376e-02 -7.380e-03 1.374e-02 / CHEB/ -1.256e-02 -2.213e-02 -1.548e-02 1.553e-04 /

941.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+0.4	+1.8	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-4.7	+0.1	+1.7	+2.3

Chebyshev(coeffs=[[2.90699,-1.26383,-0.128741,0.0104536],[5.0779,0.957998,-0.0573776,-0.0347501],[0.443909,0.313874,0.0767981,-0.0261059],[-0.0237148,-0.0168728,0.0641735,0.00802931],[-0.0595465,-0.0735118,0.00984366,0.017509],[-0.0128958,-0.0323887,-0.0147352,0.00642262]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -38.47
S298 (cal/mol*K) = -29.01
G298 (kcal/mol) = -29.82

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(247); H(25), C7H9(247); C7H8(58)+H(25)(+M)=>C7H9(247)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.907e+00 -1.264e+00 -1.287e-01 1.045e-02 / CHEB/ 5.078e+00 9.580e-01 -5.738e-02 -3.475e-02 / CHEB/ 4.439e-01 3.139e-01 7.680e-02 -2.611e-02 / CHEB/ -2.371e-02 -1.687e-02 6.417e-02 8.029e-03 / CHEB/ -5.955e-02 -7.351e-02 9.844e-03 1.751e-02 / CHEB/ -1.290e-02 -3.239e-02 -1.474e-02 6.423e-03 /

942.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-2.7	+0.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-2.8	+0.2	+1.7

Chebyshev(coeffs=[[-4.95829,-0.710732,-0.239788,-0.00743125],[12.5667,0.625851,0.153509,-0.037047],[0.122463,0.129022,0.076553,0.0170364],[0.00976509,-0.0455712,0.00469753,0.0173431],[-0.0262074,-0.046924,-0.0179758,0.0025362],[-0.00561322,-0.0109815,-0.0102909,-0.0044132]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.53
S298 (cal/mol*K) = -5.64
G298 (kcal/mol) = 39.21

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H8(256); H(25), H(25); C7H8(58)+H(25)(+M)=>H(25)+C7H8(256)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.958e+00 -7.107e-01 -2.398e-01 -7.431e-03 / CHEB/ 1.257e+01 6.259e-01 1.535e-01 -3.705e-02 / CHEB/ 1.225e-01 1.290e-01 7.655e-02 1.704e-02 / CHEB/ 9.765e-03 -4.557e-02 4.698e-03 1.734e-02 / CHEB/ -2.621e-02 -4.692e-02 -1.798e-02 2.536e-03 / CHEB/ -5.613e-03 -1.098e-02 -1.029e-02 -4.413e-03 /

943.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-6.1	-1.6	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-19.6	-6.1	-1.6	+0.6

Chebyshev(coeffs=[[-12.4646,-0.363094,-0.181981,-0.0470514],[19.0623,0.348666,0.15802,0.02487],[0.000730858,0.045246,0.0348516,0.019437],[0.0146335,-0.036128,-0.0135721,0.00153977],[-0.00811559,-0.02373,-0.0141437,-0.00533256],[7.35705e-05,-0.00156539,-0.00290251,-0.00291474]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.93
S298 (cal/mol*K) = 1.36
G298 (kcal/mol) = 60.53

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H8(257); H(25), H(25); C7H8(58)+H(25)(+M)=>H(25)+C7H8(257)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.246e+01 -3.631e-01 -1.820e-01 -4.705e-02 / CHEB/ 1.906e+01 3.487e-01 1.580e-01 2.487e-02 / CHEB/ 7.309e-04 4.525e-02 3.485e-02 1.944e-02 / CHEB/ 1.463e-02 -3.613e-02 -1.357e-02 1.540e-03 / CHEB/ -8.116e-03 -2.373e-02 -1.414e-02 -5.333e-03 / CHEB/ 7.357e-05 -1.565e-03 -2.903e-03 -2.915e-03 /

944.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.4	-10.2	-5.6	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-23.7	-10.2	-5.7	-3.4

Chebyshev(coeffs=[[-16.4362,-0.372412,-0.184232,-0.045773],[18.9483,0.362256,0.161689,0.023549],[0.0918852,0.0443027,0.0352335,0.0200413],[0.0367531,-0.0381154,-0.0142331,0.00169565],[-0.00146554,-0.0240528,-0.0144713,-0.00551759],[0.00293072,-0.00126665,-0.0028664,-0.00301752]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.37
S298 (cal/mol*K) = -19.36
G298 (kcal/mol) = 65.14

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H8(258); H(25), H(25); C7H8(58)+H(25)(+M)=>H(25)+C7H8(258)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.644e+01 -3.724e-01 -1.842e-01 -4.577e-02 / CHEB/ 1.895e+01 3.623e-01 1.617e-01 2.355e-02 / CHEB/ 9.189e-02 4.430e-02 3.523e-02 2.004e-02 / CHEB/ 3.675e-02 -3.812e-02 -1.423e-02 1.696e-03 / CHEB/ -1.466e-03 -2.405e-02 -1.447e-02 -5.518e-03 / CHEB/ 2.931e-03 -1.267e-03 -2.866e-03 -3.018e-03 /

945.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+1.3	+2.5	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+0.9	+2.4	+2.9

Chebyshev(coeffs=[[3.75162,-1.25686,-0.137602,0.0130598],[5.02606,0.936635,-0.0520721,-0.0391625],[0.314507,0.309529,0.0747544,-0.0258952],[-0.0508975,-0.013157,0.0621208,0.00806283],[-0.0753739,-0.0702405,0.0101325,0.016975],[-0.0194796,-0.031457,-0.0137492,0.00628814]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.27
S298 (cal/mol*K) = -21.31
G298 (kcal/mol) = -6.92

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(259); H(25), C7H9(259); C7H8(58)+H(25)(+M)=>C7H9(259)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.752e+00 -1.257e+00 -1.376e-01 1.306e-02 / CHEB/ 5.026e+00 9.366e-01 -5.207e-02 -3.916e-02 / CHEB/ 3.145e-01 3.095e-01 7.475e-02 -2.590e-02 / CHEB/ -5.090e-02 -1.316e-02 6.212e-02 8.063e-03 / CHEB/ -7.537e-02 -7.024e-02 1.013e-02 1.697e-02 / CHEB/ -1.948e-02 -3.146e-02 -1.375e-02 6.288e-03 /

946.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-1.9	+1.1	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-2.0	+1.1	+2.6

Chebyshev(coeffs=[[-4.76536,-0.624524,-0.236571,-0.0194245],[13.4496,0.556462,0.166046,-0.0216163],[-0.0346981,0.109866,0.0678971,0.0196836],[-0.0169475,-0.0437263,-0.00132904,0.0141275],[-0.0304124,-0.0424223,-0.0181397,0.000125851],[-0.00820712,-0.00879226,-0.00860762,-0.00458524]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.42
S298 (cal/mol*K) = -9.06
G298 (kcal/mol) = 9.12

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(260); H(25), C7H9(260); C7H8(58)+H(25)(+M)=>C7H9(260)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.765e+00 -6.245e-01 -2.366e-01 -1.942e-02 / CHEB/ 1.345e+01 5.565e-01 1.660e-01 -2.162e-02 / CHEB/ -3.470e-02 1.099e-01 6.790e-02 1.968e-02 / CHEB/ -1.695e-02 -4.373e-02 -1.329e-03 1.413e-02 / CHEB/ -3.041e-02 -4.242e-02 -1.814e-02 1.259e-04 / CHEB/ -8.207e-03 -8.792e-03 -8.608e-03 -4.585e-03 /

947.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.1	-10.9	-6.5	-4.2
log₁₀(k(10 bar)/[mole,m,s])	-24.4	-11.0	-6.5	-4.2

Chebyshev(coeffs=[[-17.1395,-0.375388,-0.185365,-0.0457832],[18.8439,0.363269,0.161608,0.0230622],[0.0671404,0.0457345,0.035864,0.0200742],[0.0297361,-0.0379047,-0.0139452,0.00192335],[-0.00391904,-0.024351,-0.0145352,-0.00543231],[0.00205099,-0.0014553,-0.0029864,-0.00306096]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.37
S298 (cal/mol*K) = -20.74
G298 (kcal/mol) = 65.55

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H8(261); H(25), H(25); C7H8(58)+H(25)(+M)=>H(25)+C7H8(261)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.714e+01 -3.754e-01 -1.854e-01 -4.578e-02 / CHEB/ 1.884e+01 3.633e-01 1.616e-01 2.306e-02 / CHEB/ 6.714e-02 4.573e-02 3.586e-02 2.007e-02 / CHEB/ 2.974e-02 -3.790e-02 -1.395e-02 1.923e-03 / CHEB/ -3.919e-03 -2.435e-02 -1.454e-02 -5.432e-03 / CHEB/ 2.051e-03 -1.455e-03 -2.986e-03 -3.061e-03 /

948.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.9	+4.1	+5.0	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+3.6	+4.9	+5.3

Chebyshev(coeffs=[[7.5387,-1.35354,-0.107041,0.00384884],[3.46515,0.939662,-0.0879335,-0.0227163],[0.426836,0.366783,0.0507121,-0.0279474],[-0.0692113,0.016302,0.0688498,-0.00172295],[-0.0747695,-0.0711406,0.0237516,0.0142728],[-0.0166523,-0.0398577,-0.00898289,0.00938961]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.58
S298 (cal/mol*K) = -40.16
G298 (kcal/mol) = -15.61

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(24); H(25), C7H9(24); C7H8(58)+H(25)(+M)=>C7H9(24)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.539e+00 -1.354e+00 -1.070e-01 3.849e-03 / CHEB/ 3.465e+00 9.397e-01 -8.793e-02 -2.272e-02 / CHEB/ 4.268e-01 3.668e-01 5.071e-02 -2.795e-02 / CHEB/ -6.921e-02 1.630e-02 6.885e-02 -1.723e-03 / CHEB/ -7.477e-02 -7.114e-02 2.375e-02 1.427e-02 / CHEB/ -1.665e-02 -3.986e-02 -8.983e-03 9.390e-03 /

949.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-4.2	-1.5	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-4.4	-1.6	-0.2

Chebyshev(coeffs=[[-5.44221,-0.824424,-0.23303,0.00750633],[11.0021,0.717032,0.126406,-0.0536224],[0.227574,0.156766,0.086698,0.0115138],[0.0236181,-0.047365,0.014317,0.020592],[-0.0268517,-0.0535962,-0.0169298,0.00604631],[-0.00539796,-0.014193,-0.0126431,-0.00377451]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.03
S298 (cal/mol*K) = -41.87
G298 (kcal/mol) = -4.55

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(26); H(25), C7H9(26); C7H8(58)+H(25)(+M)=>C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.442e+00 -8.244e-01 -2.330e-01 7.506e-03 / CHEB/ 1.100e+01 7.170e-01 1.264e-01 -5.362e-02 / CHEB/ 2.276e-01 1.568e-01 8.670e-02 1.151e-02 / CHEB/ 2.362e-02 -4.736e-02 1.432e-02 2.059e-02 / CHEB/ -2.685e-02 -5.360e-02 -1.693e-02 6.046e-03 / CHEB/ -5.398e-03 -1.419e-02 -1.264e-02 -3.775e-03 /

950.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	-1.3	+0.1	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-1.7	+0.0	+0.7

Chebyshev(coeffs=[[0.965079,-1.24272,-0.136168,0.0126448],[5.41543,0.951736,-0.0480532,-0.0387425],[0.41459,0.302399,0.0804101,-0.024972],[-0.0207708,-0.0206394,0.0617672,0.00992828],[-0.059144,-0.0723913,0.00737417,0.01754],[-0.0134489,-0.030883,-0.015138,0.00565736]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.23
S298 (cal/mol*K) = -42.97
G298 (kcal/mol) = -13.42

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(27); H(25), C7H9(27); C7H8(58)+H(25)(+M)=>C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.651e-01 -1.243e+00 -1.362e-01 1.264e-02 / CHEB/ 5.415e+00 9.517e-01 -4.805e-02 -3.874e-02 / CHEB/ 4.146e-01 3.024e-01 8.041e-02 -2.497e-02 / CHEB/ -2.077e-02 -2.064e-02 6.177e-02 9.928e-03 / CHEB/ -5.914e-02 -7.239e-02 7.374e-03 1.754e-02 / CHEB/ -1.345e-02 -3.088e-02 -1.514e-02 5.657e-03 /

951.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+3.4	+4.2	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+3.0	+4.0	+4.3

Chebyshev(coeffs=[[6.68152,-1.31433,-0.120341,0.00761606],[3.61026,0.940588,-0.0758137,-0.0293968],[0.231426,0.338636,0.0623403,-0.0282808],[-0.10621,0.00146455,0.066559,0.00245067],[-0.0923353,-0.0703091,0.0173537,0.0159008],[-0.0240963,-0.0352994,-0.011392,0.00814155]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.51
S298 (cal/mol*K) = -22.96
G298 (kcal/mol) = -2.67

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(45); H(25), C7H9(45); C7H8(58)+H(25)(+M)=>C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.682e+00 -1.314e+00 -1.203e-01 7.616e-03 / CHEB/ 3.610e+00 9.406e-01 -7.581e-02 -2.940e-02 / CHEB/ 2.314e-01 3.386e-01 6.234e-02 -2.828e-02 / CHEB/ -1.062e-01 1.465e-03 6.656e-02 2.451e-03 / CHEB/ -9.234e-02 -7.031e-02 1.735e-02 1.590e-02 / CHEB/ -2.410e-02 -3.530e-02 -1.139e-02 8.142e-03 /

952.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+3.6	+4.0	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+3.0	+3.7	+3.8

Chebyshev(coeffs=[[7.71289,-1.41018,-0.100691,0.00226409],[2.16592,0.894891,-0.100908,-0.0186109],[0.210321,0.391832,0.0292152,-0.0272482],[-0.131208,0.0479804,0.0645438,-0.00758196],[-0.103318,-0.0604189,0.0318171,0.00985827],[-0.0265819,-0.0428548,-0.00232525,0.00985246]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.56
S298 (cal/mol*K) = -30.93
G298 (kcal/mol) = -23.35

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(262); H(25), C7H9(262); C7H8(58)+H(25)(+M)=>C7H9(262)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.713e+00 -1.410e+00 -1.007e-01 2.264e-03 / CHEB/ 2.166e+00 8.949e-01 -1.009e-01 -1.861e-02 / CHEB/ 2.103e-01 3.918e-01 2.922e-02 -2.725e-02 / CHEB/ -1.312e-01 4.798e-02 6.454e-02 -7.582e-03 / CHEB/ -1.033e-01 -6.042e-02 3.182e-02 9.858e-03 / CHEB/ -2.658e-02 -4.285e-02 -2.325e-03 9.852e-03 /

953.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+5.8	+6.3	+6.2
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+5.2	+6.0	+6.1

Chebyshev(coeffs=[[10.0925,-1.42819,-0.0968596,0.00179115],[2.05045,0.881703,-0.102451,-0.0170232],[0.24664,0.404108,0.0221393,-0.0261622],[-0.103694,0.061898,0.0624398,-0.00910995],[-0.0955816,-0.05617,0.0345923,0.00817375],[-0.0234036,-0.0448299,0.000317772,0.00978719]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -37.15
S298 (cal/mol*K) = -12.82
G298 (kcal/mol) = -33.33

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(60); H(25), C7H9(60); C7H8(58)+H(25)(+M)=>C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.009e+01 -1.428e+00 -9.686e-02 1.791e-03 / CHEB/ 2.050e+00 8.817e-01 -1.025e-01 -1.702e-02 / CHEB/ 2.466e-01 4.041e-01 2.214e-02 -2.616e-02 / CHEB/ -1.037e-01 6.190e-02 6.244e-02 -9.110e-03 / CHEB/ -9.558e-02 -5.617e-02 3.459e-02 8.174e-03 / CHEB/ -2.340e-02 -4.483e-02 3.178e-04 9.787e-03 /

954.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+3.7	+4.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+3.3	+4.7	+5.2

Chebyshev(coeffs=[[6.29087,-1.27097,-0.133177,0.0116981],[4.81834,0.93911,-0.0582906,-0.0366868],[0.291607,0.316256,0.0721861,-0.0266613],[-0.0574408,-0.0101984,0.0634026,0.0067689],[-0.0759425,-0.0704135,0.0117525,0.0168464],[-0.0200662,-0.0323102,-0.0133143,0.00675304]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.74
S298 (cal/mol*K) = -18.67
G298 (kcal/mol) = -24.17

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(263); H(25), C7H9(263); C7H8(58)+H(25)(+M)=>C7H9(263)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.291e+00 -1.271e+00 -1.332e-01 1.170e-02 / CHEB/ 4.818e+00 9.391e-01 -5.829e-02 -3.669e-02 / CHEB/ 2.916e-01 3.163e-01 7.219e-02 -2.666e-02 / CHEB/ -5.744e-02 -1.020e-02 6.340e-02 6.769e-03 / CHEB/ -7.594e-02 -7.041e-02 1.175e-02 1.685e-02 / CHEB/ -2.007e-02 -3.231e-02 -1.331e-02 6.753e-03 /

955.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.7	+6.5	+6.1	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+6.7	+7.0	+6.8	+6.6

Chebyshev(coeffs=[[12.2484,0.628961,-0.115995,0.00870774],[-0.154708,0.835775,-0.0720614,-0.0251818],[-0.309572,0.315394,0.0360111,-0.0204121],[-0.107902,0.0396711,0.040652,-0.000456309],[-0.0177147,-0.0232571,0.0134326,0.00583139],[-0.00618609,-0.00711847,-0.000643285,0.00245866]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.23
S298 (cal/mol*K) = -9.55
G298 (kcal/mol) = -40.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(22); H(25), C7H11(22); C7H10(1)+H(25)(+M)=>C7H11(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.225e+01 6.290e-01 -1.160e-01 8.708e-03 / CHEB/ -1.547e-01 8.358e-01 -7.206e-02 -2.518e-02 / CHEB/ -3.096e-01 3.154e-01 3.601e-02 -2.041e-02 / CHEB/ -1.079e-01 3.967e-02 4.065e-02 -4.563e-04 / CHEB/ -1.771e-02 -2.326e-02 1.343e-02 5.831e-03 / CHEB/ -6.186e-03 -7.118e-03 -6.433e-04 2.459e-03 /

956.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.4	+6.3	+5.8	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+4.8	+6.7	+6.6	+6.3

Chebyshev(coeffs=[[10.8896,-0.234852,-0.307471,0.0143559],[1.05087,1.74191,0.00789821,-0.0785131],[-0.324138,0.44597,0.140664,-0.0117117],[-0.285757,-0.0170712,0.0667464,0.0183727],[-0.0758268,-0.0824566,0.00862274,0.0139057],[0.0142238,-0.0341749,-0.00820595,0.00478132]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.48
S298 (cal/mol*K) = 15.44
G298 (kcal/mol) = -22.08

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(46); H(25), C7H11(46); C7H10(1)+H(25)(+M)=>C7H11(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.089e+01 -2.349e-01 -3.075e-01 1.436e-02 / CHEB/ 1.051e+00 1.742e+00 7.898e-03 -7.851e-02 / CHEB/ -3.241e-01 4.460e-01 1.407e-01 -1.171e-02 / CHEB/ -2.858e-01 -1.707e-02 6.675e-02 1.837e-02 / CHEB/ -7.583e-02 -8.246e-02 8.623e-03 1.391e-02 / CHEB/ 1.422e-02 -3.417e-02 -8.206e-03 4.781e-03 /

957.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.1	+7.1	+7.6	+7.8
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+6.6	+7.4	+7.7

Chebyshev(coeffs=[[10.9974,-1.9497,-0.348479,0.00799902],[2.63904,1.68788,0.0878858,-0.0817387],[0.174708,0.281816,0.164304,0.00485165],[-0.0708798,-0.0663268,0.0445863,0.0248421],[-0.0404901,-0.0718488,-0.00873522,0.0121048],[-0.00338144,-0.0183191,-0.0118833,0.00172309]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.37
S298 (cal/mol*K) = 44.53
G298 (kcal/mol) = -29.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(210); H(25), C2H4(115); C7H10(1)+H(25)(+M)=>C5H7(210)+C2H4(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.100e+01 -1.950e+00 -3.485e-01 7.999e-03 / CHEB/ 2.639e+00 1.688e+00 8.789e-02 -8.174e-02 / CHEB/ 1.747e-01 2.818e-01 1.643e-01 4.852e-03 / CHEB/ -7.088e-02 -6.633e-02 4.459e-02 2.484e-02 / CHEB/ -4.049e-02 -7.185e-02 -8.735e-03 1.210e-02 / CHEB/ -3.381e-03 -1.832e-02 -1.188e-02 1.723e-03 /

958.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-0.6	+2.6	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-0.6	+2.6	+4.2

Chebyshev(coeffs=[[-2.20463,-0.182514,-0.107611,-0.0431703],[11.9711,0.176571,0.0995007,0.0353899],[0.364453,0.00559492,0.00596422,0.00496211],[0.0899079,-0.02279,-0.0125724,-0.00418179],[0.0166291,-0.00426435,-0.00315552,-0.00187587],[0.00436977,0.00523974,0.00278222,0.000815517]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.84
S298 (cal/mol*K) = 20.64
G298 (kcal/mol) = 22.69

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(264); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(264)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.205e+00 -1.825e-01 -1.076e-01 -4.317e-02 / CHEB/ 1.197e+01 1.766e-01 9.950e-02 3.539e-02 / CHEB/ 3.645e-01 5.595e-03 5.964e-03 4.962e-03 / CHEB/ 8.991e-02 -2.279e-02 -1.257e-02 -4.182e-03 / CHEB/ 1.663e-02 -4.264e-03 -3.156e-03 -1.876e-03 / CHEB/ 4.370e-03 5.240e-03 2.782e-03 8.155e-04 /

959.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+5.0	+5.2	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+5.5	+5.9	+5.8

Chebyshev(coeffs=[[9.50724,0.587371,0.157181,0.0312269],[1.62663,1.10195,-0.365638,-0.0306133],[0.0168571,0.0609822,0.0403153,-0.0128789],[-0.131595,0.0165987,0.0528592,-0.0078785],[-0.126197,0.0189041,0.0226586,-0.00102744],[-0.0681954,0.0142839,0.00400486,0.00161339]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.38
S298 (cal/mol*K) = 0.54
G298 (kcal/mol) = -30.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(40); H(25), C7H11(40); C7H10(1)+H(25)(+M)=>C7H11(40)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.507e+00 5.874e-01 1.572e-01 3.123e-02 / CHEB/ 1.627e+00 1.102e+00 -3.656e-01 -3.061e-02 / CHEB/ 1.686e-02 6.098e-02 4.032e-02 -1.288e-02 / CHEB/ -1.316e-01 1.660e-02 5.286e-02 -7.878e-03 / CHEB/ -1.262e-01 1.890e-02 2.266e-02 -1.027e-03 / CHEB/ -6.820e-02 1.428e-02 4.005e-03 1.613e-03 /

960.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+0.9	+3.2	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+0.7	+3.2	+4.7

Chebyshev(coeffs=[[3.38813,-0.999939,-0.169578,-0.0230207],[5.90484,1.04152,0.0974363,-0.000937099],[1.06752,0.0438239,0.066171,0.00906789],[0.243985,-0.0948129,0.00903651,0.0112139],[0.0628176,-0.0248292,-0.0140522,-0.00139668],[0.00537125,0.00703092,-0.0085343,-0.00459648]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.83
S298 (cal/mol*K) = -2.55
G298 (kcal/mol) = -19.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(265); H(25), C7H11(265); C7H10(1)+H(25)(+M)=>C7H11(265)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.388e+00 -9.999e-01 -1.696e-01 -2.302e-02 / CHEB/ 5.905e+00 1.042e+00 9.744e-02 -9.371e-04 / CHEB/ 1.068e+00 4.382e-02 6.617e-02 9.068e-03 / CHEB/ 2.440e-01 -9.481e-02 9.037e-03 1.121e-02 / CHEB/ 6.282e-02 -2.483e-02 -1.405e-02 -1.397e-03 / CHEB/ 5.371e-03 7.031e-03 -8.534e-03 -4.596e-03 /

961.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+2.8	+3.5	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-0.0	+3.4	+4.3	+4.4

Chebyshev(coeffs=[[6.25306,0.707853,-0.204445,-0.0413456],[3.18382,1.03273,0.0184274,-0.0107434],[0.301447,0.180514,0.0612258,-0.00541704],[-0.164447,-0.03955,0.0403811,0.0144722],[-0.140987,-0.0265003,0.00602094,0.00954109],[-0.043109,0.00634868,-0.00167674,0.000364009]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.38
S298 (cal/mol*K) = -0.84
G298 (kcal/mol) = -30.13

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(266); H(25), C7H11(266); C7H10(1)+H(25)(+M)=>C7H11(266)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.253e+00 7.079e-01 -2.044e-01 -4.135e-02 / CHEB/ 3.184e+00 1.033e+00 1.843e-02 -1.074e-02 / CHEB/ 3.014e-01 1.805e-01 6.123e-02 -5.417e-03 / CHEB/ -1.644e-01 -3.955e-02 4.038e-02 1.447e-02 / CHEB/ -1.410e-01 -2.650e-02 6.021e-03 9.541e-03 / CHEB/ -4.311e-02 6.349e-03 -1.677e-03 3.640e-04 /

962.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-4.9	-0.4	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-4.9	-0.4	+1.9

Chebyshev(coeffs=[[-10.5634,-0.0356321,-0.0236978,-0.0122871],[18.1561,0.0246221,0.0167695,0.00897729],[0.21674,0.00107168,0.000394421,8.70311e-06],[0.0557156,-0.0029831,-0.0023722,-0.00151235],[-0.000878581,-9.23714e-05,-0.000186208,-0.000218832],[-0.00370978,0.00135822,0.000985396,0.000547028]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.22
S298 (cal/mol*K) = 24.15
G298 (kcal/mol) = 48.03

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(28); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.056e+01 -3.563e-02 -2.370e-02 -1.229e-02 / CHEB/ 1.816e+01 2.462e-02 1.677e-02 8.977e-03 / CHEB/ 2.167e-01 1.072e-03 3.944e-04 8.703e-06 / CHEB/ 5.572e-02 -2.983e-03 -2.372e-03 -1.512e-03 / CHEB/ -8.786e-04 -9.237e-05 -1.862e-04 -2.188e-04 / CHEB/ -3.710e-03 1.358e-03 9.854e-04 5.470e-04 /

963.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-3.9	-0.1	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-3.9	-0.1	+1.9

Chebyshev(coeffs=[[-7.47923,-0.0934797,-0.056832,-0.0261524],[14.9174,0.0815136,0.0484474,0.0217385],[0.350062,0.00295174,0.0023615,0.00119781],[0.0734854,-0.0081122,-0.00583609,-0.00311111],[-0.00275185,-0.00149418,-0.00104028,-0.000674816],[-0.00284928,0.00247005,0.0017806,0.000931006]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.37
S298 (cal/mol*K) = 14.06
G298 (kcal/mol) = 38.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(33); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.479e+00 -9.348e-02 -5.683e-02 -2.615e-02 / CHEB/ 1.492e+01 8.151e-02 4.845e-02 2.174e-02 / CHEB/ 3.501e-01 2.952e-03 2.361e-03 1.198e-03 / CHEB/ 7.349e-02 -8.112e-03 -5.836e-03 -3.111e-03 / CHEB/ -2.752e-03 -1.494e-03 -1.040e-03 -6.748e-04 / CHEB/ -2.849e-03 2.470e-03 1.781e-03 9.310e-04 /

964.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.4	-7.1	-1.7	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-7.1	-1.7	+1.0

Chebyshev(coeffs=[[-14.9217,-0.0163362,-0.0112324,-0.00611216],[21.5808,0.00995084,0.00682413,0.0036963],[0.264637,-0.000489793,-0.000331722,-0.000174871],[0.0721903,-0.0022071,-0.00151674,-0.000823718],[0.00516758,-0.000462034,-0.000319829,-0.000176094],[-0.00186926,0.00067303,0.000460844,0.000248691]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.77
S298 (cal/mol*K) = 21.06
G298 (kcal/mol) = 59.50

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(32); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.492e+01 -1.634e-02 -1.123e-02 -6.112e-03 / CHEB/ 2.158e+01 9.951e-03 6.824e-03 3.696e-03 / CHEB/ 2.646e-01 -4.898e-04 -3.317e-04 -1.749e-04 / CHEB/ 7.219e-02 -2.207e-03 -1.517e-03 -8.237e-04 / CHEB/ 5.168e-03 -4.620e-04 -3.198e-04 -1.761e-04 / CHEB/ -1.869e-03 6.730e-04 4.608e-04 2.487e-04 /

965.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.2	-7.8	-2.4	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-7.8	-2.4	+0.4

Chebyshev(coeffs=[[-15.6405,-0.0164962,-0.0113412,-0.00617026],[21.6302,0.0101046,0.00692846,0.00375178],[0.287687,-0.000490501,-0.000332016,-0.000174847],[0.0780062,-0.00223511,-0.0015357,-0.000833752],[0.00667593,-0.00045994,-0.000318441,-0.000175386],[-0.00112546,0.000682037,0.000466913,0.000251878]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.77
S298 (cal/mol*K) = 19.68
G298 (kcal/mol) = 59.91

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(34); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.564e+01 -1.650e-02 -1.134e-02 -6.170e-03 / CHEB/ 2.163e+01 1.010e-02 6.928e-03 3.752e-03 / CHEB/ 2.877e-01 -4.905e-04 -3.320e-04 -1.748e-04 / CHEB/ 7.801e-02 -2.235e-03 -1.536e-03 -8.338e-04 / CHEB/ 6.676e-03 -4.599e-04 -3.184e-04 -1.754e-04 / CHEB/ -1.125e-03 6.820e-04 4.669e-04 2.519e-04 /

966.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+0.2	+2.1	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+0.1	+2.1	+3.1

Chebyshev(coeffs=[[1.90205,-0.58454,-0.214295,-0.0175405],[6.72791,0.566078,0.165976,-0.0183486],[0.393827,0.0384488,0.0415417,0.0201334],[0.0477637,-0.0636369,-0.0148113,0.00700677],[-0.00133055,-0.0190948,-0.0125567,-0.00368767],[0.00800535,0.0103833,0.00100429,-0.00236564]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.47
S298 (cal/mol*K) = -1.16
G298 (kcal/mol) = -10.12

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(267); H(25), C7H11(267); C7H10(1)+H(25)(+M)=>C7H11(267)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.902e+00 -5.845e-01 -2.143e-01 -1.754e-02 / CHEB/ 6.728e+00 5.661e-01 1.660e-01 -1.835e-02 / CHEB/ 3.938e-01 3.845e-02 4.154e-02 2.013e-02 / CHEB/ 4.776e-02 -6.364e-02 -1.481e-02 7.007e-03 / CHEB/ -1.331e-03 -1.909e-02 -1.256e-02 -3.688e-03 / CHEB/ 8.005e-03 1.038e-02 1.004e-03 -2.366e-03 /

967.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+5.7	+5.9	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+3.9	+5.9	+6.3	+6.4

Chebyshev(coeffs=[[10.0736,-0.068926,-0.123671,-0.0146684],[1.60135,1.37375,-0.273881,-0.0475946],[-0.0438818,0.12388,0.0632838,-0.00104601],[-0.101807,0.0927333,0.0804013,-0.00743117],[-0.084331,0.0592914,0.0399833,-0.00037475],[-0.0533153,0.0201475,0.00958215,0.00374686]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.95
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = -34.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(268); H(25), C7H11(268); C7H10(1)+H(25)(+M)=>C7H11(268)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.007e+01 -6.893e-02 -1.237e-01 -1.467e-02 / CHEB/ 1.601e+00 1.374e+00 -2.739e-01 -4.759e-02 / CHEB/ -4.388e-02 1.239e-01 6.328e-02 -1.046e-03 / CHEB/ -1.018e-01 9.273e-02 8.040e-02 -7.431e-03 / CHEB/ -8.433e-02 5.929e-02 3.998e-02 -3.748e-04 / CHEB/ -5.332e-02 2.015e-02 9.582e-03 3.747e-03 /

968.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+4.1	+4.0	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+4.3	+4.7	+4.5

Chebyshev(coeffs=[[8.45224,-0.993314,-0.456391,0.00277289],[1.48596,2.41386,0.0978862,-0.0927249],[-0.131058,0.400928,0.150045,0.00404833],[-0.131941,-0.0297016,0.041227,0.0120954],[-0.0983584,-0.0481385,0.0139051,0.0073914],[-0.0539572,-0.0199214,0.00460801,0.00627551]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.99
S298 (cal/mol*K) = 6.40
G298 (kcal/mol) = -23.89

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(269); H(25), C7H11(269); C7H10(1)+H(25)(+M)=>C7H11(269)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.452e+00 -9.933e-01 -4.564e-01 2.773e-03 / CHEB/ 1.486e+00 2.414e+00 9.789e-02 -9.272e-02 / CHEB/ -1.311e-01 4.009e-01 1.500e-01 4.048e-03 / CHEB/ -1.319e-01 -2.970e-02 4.123e-02 1.210e-02 / CHEB/ -9.836e-02 -4.814e-02 1.391e-02 7.391e-03 / CHEB/ -5.396e-02 -1.992e-02 4.608e-03 6.276e-03 /

969.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+3.2	+5.3	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+2.9	+5.1	+6.2

Chebyshev(coeffs=[[3.89183,-1.04264,-0.376282,-0.0766101],[7.99423,0.740895,0.269756,0.0294614],[0.358799,0.145385,0.0376564,0.0291267],[0.0236325,0.0241943,-0.017126,-0.00374274],[-0.0230408,-0.00279378,-0.00971419,-0.00897406],[-0.0111103,-0.000902053,0.00474487,-0.00504634]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.08
S298 (cal/mol*K) = 37.78
G298 (kcal/mol) = 4.82

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(146); H(25), H(25); C7H10(1)+H(25)(+M)=>C7H10(146)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.892e+00 -1.043e+00 -3.763e-01 -7.661e-02 / CHEB/ 7.994e+00 7.409e-01 2.698e-01 2.946e-02 / CHEB/ 3.588e-01 1.454e-01 3.766e-02 2.913e-02 / CHEB/ 2.363e-02 2.419e-02 -1.713e-02 -3.743e-03 / CHEB/ -2.304e-02 -2.794e-03 -9.714e-03 -8.974e-03 / CHEB/ -1.111e-02 -9.021e-04 4.745e-03 -5.046e-03 /

970.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+3.5	+3.5	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+3.1	+3.9	+4.1

Chebyshev(coeffs=[[6.33531,-2.01255,-0.679921,-0.036014],[3.21115,3.05341,0.0315889,-0.0855574],[-0.202888,0.558869,0.307637,-0.00276445],[-0.200638,0.0764072,0.128109,0.0189726],[-0.04376,-0.0169106,0.0191706,0.0163424],[-0.00112995,-0.0170682,-0.0111642,0.00763634]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.13
S298 (cal/mol*K) = 17.16
G298 (kcal/mol) = -25.24

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(270); H(25), C7H11(270); C7H10(1)+H(25)(+M)=>C7H11(270)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.335e+00 -2.013e+00 -6.799e-01 -3.601e-02 / CHEB/ 3.211e+00 3.053e+00 3.159e-02 -8.556e-02 / CHEB/ -2.029e-01 5.589e-01 3.076e-01 -2.764e-03 / CHEB/ -2.006e-01 7.641e-02 1.281e-01 1.897e-02 / CHEB/ -4.376e-02 -1.691e-02 1.917e-02 1.634e-02 / CHEB/ -1.130e-03 -1.707e-02 -1.116e-02 7.636e-03 /

971.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+3.1	+4.1	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+2.9	+4.4	+4.8

Chebyshev(coeffs=[[5.49581,-1.09486,-0.35244,0.00955176],[4.47086,2.10955,-0.0612628,-0.0870147],[0.32113,0.294849,0.146961,0.0316432],[-0.123947,0.0849802,0.0100721,0.0150325],[-0.180142,0.0852893,-0.0017027,-0.0181541],[-0.104647,0.0506818,0.0202913,-0.0129268]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -41.52
S298 (cal/mol*K) = 11.83
G298 (kcal/mol) = -45.04

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(271); H(25), C7H11(271); C7H10(1)+H(25)(+M)=>C7H11(271)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.496e+00 -1.095e+00 -3.524e-01 9.552e-03 / CHEB/ 4.471e+00 2.110e+00 -6.126e-02 -8.701e-02 / CHEB/ 3.211e-01 2.948e-01 1.470e-01 3.164e-02 / CHEB/ -1.239e-01 8.498e-02 1.007e-02 1.503e-02 / CHEB/ -1.801e-01 8.529e-02 -1.703e-03 -1.815e-02 / CHEB/ -1.046e-01 5.068e-02 2.029e-02 -1.293e-02 /

972.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+4.1	+4.3	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+0.4	+4.1	+4.9	+4.8

Chebyshev(coeffs=[[7.15482,-1.01776,-0.51958,0.000108601],[3.13203,2.32308,0.0895806,-0.101821],[-0.0764534,0.462297,0.188162,5.56218e-06],[-0.218494,0.016193,0.0654546,0.0169162],[-0.129009,-0.0337292,0.0118345,0.00924527],[-0.0459571,-0.0222812,0.00268292,0.00540625]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.58
S298 (cal/mol*K) = 13.84
G298 (kcal/mol) = -13.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(272); H(25), C7H11(272); C7H10(1)+H(25)(+M)=>C7H11(272)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.155e+00 -1.018e+00 -5.196e-01 1.086e-04 / CHEB/ 3.132e+00 2.323e+00 8.958e-02 -1.018e-01 / CHEB/ -7.645e-02 4.623e-01 1.882e-01 5.562e-06 / CHEB/ -2.185e-01 1.619e-02 6.545e-02 1.692e-02 / CHEB/ -1.290e-01 -3.373e-02 1.183e-02 9.245e-03 / CHEB/ -4.596e-02 -2.228e-02 2.683e-03 5.406e-03 /

973.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+3.6	+3.6	+3.3
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+3.5	+4.2	+4.1

Chebyshev(coeffs=[[6.87991,-0.997163,-0.565202,0.00992736],[2.66367,2.26276,0.0966402,-0.117065],[-0.0527962,0.408663,0.203919,-0.00154959],[-0.229334,0.0335473,0.0621563,0.0169291],[-0.134793,-0.0186986,0.0107909,0.00833452],[-0.0406545,-0.017263,0.00171002,0.00564703]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.78
S298 (cal/mol*K) = 12.74
G298 (kcal/mol) = -22.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(273); H(25), C7H11(273); C7H10(1)+H(25)(+M)=>C7H11(273)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.880e+00 -9.972e-01 -5.652e-01 9.927e-03 / CHEB/ 2.664e+00 2.263e+00 9.664e-02 -1.171e-01 / CHEB/ -5.280e-02 4.087e-01 2.039e-01 -1.550e-03 / CHEB/ -2.293e-01 3.355e-02 6.216e-02 1.693e-02 / CHEB/ -1.348e-01 -1.870e-02 1.079e-02 8.335e-03 / CHEB/ -4.065e-02 -1.726e-02 1.710e-03 5.647e-03 /

974.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.0	+3.2	+4.5	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+2.8	+4.3	+5.0

Chebyshev(coeffs=[[6.15628,-1.68882,-0.418008,-0.00406027],[4.32893,1.42077,0.161503,-0.085041],[0.477806,0.164914,0.142861,0.0172869],[0.0270619,-0.0325534,0.0231904,0.0194618],[-0.0318661,-0.0186549,-0.00560632,0.00583966],[-0.0240783,0.00582321,0.00093301,0.00203957]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.78
S298 (cal/mol*K) = 12.74
G298 (kcal/mol) = -22.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(274); H(25), C7H11(274); C7H10(1)+H(25)(+M)=>C7H11(274)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.156e+00 -1.689e+00 -4.180e-01 -4.060e-03 / CHEB/ 4.329e+00 1.421e+00 1.615e-01 -8.504e-02 / CHEB/ 4.778e-01 1.649e-01 1.429e-01 1.729e-02 / CHEB/ 2.706e-02 -3.255e-02 2.319e-02 1.946e-02 / CHEB/ -3.187e-02 -1.865e-02 -5.606e-03 5.840e-03 / CHEB/ -2.408e-02 5.823e-03 9.330e-04 2.040e-03 /

975.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.3	+2.1	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-0.9	+1.9	+3.3

Chebyshev(coeffs=[[0.520769,-2.32909,-0.344422,0.012586],[7.96971,2.09341,0.201672,-0.0400575],[0.774671,0.173522,0.0938483,0.0171202],[0.0511938,-0.0051487,-0.0366165,-0.0155035],[-0.0114678,0.0016173,0.00190508,-0.0121611],[-0.00697367,-0.0141049,0.0179968,0.00232373]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.38
S298 (cal/mol*K) = 13.42
G298 (kcal/mol) = -11.37

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(275); H(25), C7H11(275); C7H10(1)+H(25)(+M)=>C7H11(275)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.208e-01 -2.329e+00 -3.444e-01 1.259e-02 / CHEB/ 7.970e+00 2.093e+00 2.017e-01 -4.006e-02 / CHEB/ 7.747e-01 1.735e-01 9.385e-02 1.712e-02 / CHEB/ 5.119e-02 -5.149e-03 -3.662e-02 -1.550e-02 / CHEB/ -1.147e-02 1.617e-03 1.905e-03 -1.216e-02 / CHEB/ -6.974e-03 -1.410e-02 1.800e-02 2.324e-03 /

976.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	+0.5	+4.1	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-10.9	+0.4	+4.1	+5.8

Chebyshev(coeffs=[[-3.90609,-0.28793,-0.172289,-0.0720187],[15.7661,0.172211,0.10081,0.0399579],[0.0237419,0.0779393,0.0436649,0.0154056],[-0.0348464,0.0237374,0.0133956,0.00490505],[-0.0365289,-0.0140292,-0.00594368,-0.000176467],[-0.0216421,-0.0125992,-0.00602499,-0.00111804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.71
S298 (cal/mol*K) = 53.97
G298 (kcal/mol) = 32.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(210); H(25), C2H4(72); C7H10(1)+H(25)(+M)=>C5H7(210)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.906e+00 -2.879e-01 -1.723e-01 -7.202e-02 / CHEB/ 1.577e+01 1.722e-01 1.008e-01 3.996e-02 / CHEB/ 2.374e-02 7.794e-02 4.366e-02 1.541e-02 / CHEB/ -3.485e-02 2.374e-02 1.340e-02 4.905e-03 / CHEB/ -3.653e-02 -1.403e-02 -5.944e-03 -1.765e-04 / CHEB/ -2.164e-02 -1.260e-02 -6.025e-03 -1.118e-03 /

977.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.4	-7.1	-1.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-25.5	-7.1	-1.2	+1.6

Chebyshev(coeffs=[[-18.0564,-0.120263,-0.0778478,-0.0380138],[25.915,0.0525301,0.0335519,0.0159461],[-0.14021,0.0433929,0.0271603,0.0123935],[-0.087276,0.0183274,0.0115577,0.00536208],[-0.0511125,-0.00760636,-0.00419778,-0.00137428],[-0.0267227,-0.00857905,-0.00505111,-0.00199979]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.85
S298 (cal/mol*K) = 56.94
G298 (kcal/mol) = 65.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H5(99); H(25), C3H6(276); C7H10(1)+H(25)(+M)=>C3H6(276)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.806e+01 -1.203e-01 -7.785e-02 -3.801e-02 / CHEB/ 2.591e+01 5.253e-02 3.355e-02 1.595e-02 / CHEB/ -1.402e-01 4.339e-02 2.716e-02 1.239e-02 / CHEB/ -8.728e-02 1.833e-02 1.156e-02 5.362e-03 / CHEB/ -5.111e-02 -7.606e-03 -4.198e-03 -1.374e-03 / CHEB/ -2.672e-02 -8.579e-03 -5.051e-03 -2.000e-03 /

978.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.1	-4.5	+0.2	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-18.4	-4.6	+0.1	+2.5

Chebyshev(coeffs=[[-11.1442,-0.382619,-0.140754,-0.0276375],[19.5084,0.234291,0.0640769,0.0026496],[0.0619252,0.0811136,0.0376379,0.010175],[0.0284483,0.0492092,0.0162468,0.00100933],[0.0337065,0.00669603,0.00142043,-0.0028895],[0.00349854,-0.0123035,-0.00273416,-0.000210104]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.58
S298 (cal/mol*K) = 42.66
G298 (kcal/mol) = 46.87

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(18); H(25), H(25); C7H10(1)+H(25)(+M)=>C7H10(18)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.114e+01 -3.826e-01 -1.408e-01 -2.764e-02 / CHEB/ 1.951e+01 2.343e-01 6.408e-02 2.650e-03 / CHEB/ 6.193e-02 8.111e-02 3.764e-02 1.018e-02 / CHEB/ 2.845e-02 4.921e-02 1.625e-02 1.009e-03 / CHEB/ 3.371e-02 6.696e-03 1.420e-03 -2.889e-03 / CHEB/ 3.499e-03 -1.230e-02 -2.734e-03 -2.101e-04 /

979.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-4.5	+0.1	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-4.6	+0.0	+2.2

Chebyshev(coeffs=[[-11.1771,-0.354736,-0.146773,-0.0397178],[19.3328,0.187951,0.0580237,0.0099917],[0.17855,0.102669,0.0403158,0.00577386],[-0.012255,0.0301786,0.0152,0.00427334],[-0.0559883,-0.0149878,-0.00126224,0.00129988],[-0.0312877,-0.0118334,-0.00212425,0.000628938]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.01
S298 (cal/mol*K) = 38.82
G298 (kcal/mol) = 47.45

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(89); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.118e+01 -3.547e-01 -1.468e-01 -3.972e-02 / CHEB/ 1.933e+01 1.880e-01 5.802e-02 9.992e-03 / CHEB/ 1.785e-01 1.027e-01 4.032e-02 5.774e-03 / CHEB/ -1.226e-02 3.018e-02 1.520e-02 4.273e-03 / CHEB/ -5.599e-02 -1.499e-02 -1.262e-03 1.300e-03 / CHEB/ -3.129e-02 -1.183e-02 -2.124e-03 6.289e-04 /

980.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.3	-10.6	-3.8	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-10.6	-3.9	-0.6

Chebyshev(coeffs=[[-23.6568,-0.16697,-0.109105,-0.0542027],[29.2022,0.0797666,0.0511912,0.0245378],[-0.022605,0.0444975,0.0290213,0.0143741],[-0.0690214,0.032832,0.0207487,0.00964885],[-0.0444085,-0.000755599,1.66746e-05,0.000481885],[-0.0261582,-0.0104138,-0.00630809,-0.0026693]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.52
S298 (cal/mol*K) = 44.67
G298 (kcal/mol) = 78.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(95); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.366e+01 -1.670e-01 -1.091e-01 -5.420e-02 / CHEB/ 2.920e+01 7.977e-02 5.119e-02 2.454e-02 / CHEB/ -2.261e-02 4.450e-02 2.902e-02 1.437e-02 / CHEB/ -6.902e-02 3.283e-02 2.075e-02 9.649e-03 / CHEB/ -4.441e-02 -7.556e-04 1.667e-05 4.819e-04 / CHEB/ -2.616e-02 -1.041e-02 -6.308e-03 -2.669e-03 /

981.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.6	-8.7	-1.7	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-30.7	-8.8	-1.7	+1.6

Chebyshev(coeffs=[[-23.0167,-0.156325,-0.0972025,-0.0437923],[30.9789,0.0691376,0.0429337,0.0192398],[-0.199723,0.0694125,0.0404775,0.0156999],[-0.109603,0.0231692,0.0140718,0.00604693],[-0.0612149,-0.0122046,-0.00572841,-0.000838039],[-0.029455,-0.0120343,-0.0063513,-0.0018105]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.68
S298 (cal/mol*K) = 60.68
G298 (kcal/mol) = 81.60

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(277); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C5H8(277)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.302e+01 -1.563e-01 -9.720e-02 -4.379e-02 / CHEB/ 3.098e+01 6.914e-02 4.293e-02 1.924e-02 / CHEB/ -1.997e-01 6.941e-02 4.048e-02 1.570e-02 / CHEB/ -1.096e-01 2.317e-02 1.407e-02 6.047e-03 / CHEB/ -6.121e-02 -1.220e-02 -5.728e-03 -8.380e-04 / CHEB/ -2.946e-02 -1.203e-02 -6.351e-03 -1.811e-03 /

982.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.4	-8.4	-2.1	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-8.5	-2.1	+1.0

Chebyshev(coeffs=[[-19.7836,-0.125032,-0.080428,-0.0388587],[26.71,0.0555697,0.0350636,0.01632],[0.102376,0.0441702,0.0276031,0.0125514],[-0.0156931,0.0188692,0.0118177,0.00541361],[-0.0274592,-0.00763531,-0.00417323,-0.00133091],[-0.0185044,-0.00871491,-0.00509244,-0.00198165]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.32
S298 (cal/mol*K) = 43.57
G298 (kcal/mol) = 69.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(96); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.978e+01 -1.250e-01 -8.043e-02 -3.886e-02 / CHEB/ 2.671e+01 5.557e-02 3.506e-02 1.632e-02 / CHEB/ 1.024e-01 4.417e-02 2.760e-02 1.255e-02 / CHEB/ -1.569e-02 1.887e-02 1.182e-02 5.414e-03 / CHEB/ -2.746e-02 -7.635e-03 -4.173e-03 -1.331e-03 / CHEB/ -1.850e-02 -8.715e-03 -5.092e-03 -1.982e-03 /

983.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.4	-8.4	-2.1	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-8.5	-2.1	+1.0

Chebyshev(coeffs=[[-19.7901,-0.122678,-0.0792938,-0.0386125],[26.7121,0.0538838,0.0343565,0.0162727],[0.102471,0.0441002,0.0275437,0.012513],[-0.0156285,0.0185497,0.0116754,0.00539614],[-0.0274298,-0.00772514,-0.00424266,-0.00136757],[-0.0184206,-0.00868588,-0.00509605,-0.00200016]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.32
S298 (cal/mol*K) = 43.57
G298 (kcal/mol) = 69.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(97); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.979e+01 -1.227e-01 -7.929e-02 -3.861e-02 / CHEB/ 2.671e+01 5.388e-02 3.436e-02 1.627e-02 / CHEB/ 1.025e-01 4.410e-02 2.754e-02 1.251e-02 / CHEB/ -1.563e-02 1.855e-02 1.168e-02 5.396e-03 / CHEB/ -2.743e-02 -7.725e-03 -4.243e-03 -1.368e-03 / CHEB/ -1.842e-02 -8.686e-03 -5.096e-03 -2.000e-03 /

984.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.0	-10.8	-3.7	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-32.1	-10.8	-3.7	-0.3

Chebyshev(coeffs=[[-24.2475,-0.0992736,-0.0651129,-0.0325827],[29.9482,0.0412849,0.0267936,0.0131331],[0.0903796,0.0369882,0.023593,0.0111823],[-0.0216484,0.0161631,0.0103674,0.00497137],[-0.0287616,-0.00655639,-0.00377891,-0.00140578],[-0.0183822,-0.0075751,-0.00459978,-0.00195886]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.72
S298 (cal/mol*K) = 44.25
G298 (kcal/mol) = 80.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(37); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.425e+01 -9.927e-02 -6.511e-02 -3.258e-02 / CHEB/ 2.995e+01 4.128e-02 2.679e-02 1.313e-02 / CHEB/ 9.038e-02 3.699e-02 2.359e-02 1.118e-02 / CHEB/ -2.165e-02 1.616e-02 1.037e-02 4.971e-03 / CHEB/ -2.876e-02 -6.556e-03 -3.779e-03 -1.406e-03 / CHEB/ -1.838e-02 -7.575e-03 -4.600e-03 -1.959e-03 /

985.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+4.3	+4.7	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+4.0	+4.9	+5.2

Chebyshev(coeffs=[[7.71114,-1.3228,-0.336885,0.0742808],[2.89829,2.07154,-0.0472105,-0.113742],[-0.0166186,0.497578,0.0520992,-0.0273491],[-0.168304,0.120631,0.0366696,0.0155667],[-0.104819,0.0295455,0.0160703,0.00510599],[-0.0590901,0.0118771,0.00833438,-0.0054626]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.70
S298 (cal/mol*K) = 9.55
G298 (kcal/mol) = -31.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(278); H(25), C7H11(278); C7H10(1)+H(25)(+M)=>C7H11(278)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.711e+00 -1.323e+00 -3.369e-01 7.428e-02 / CHEB/ 2.898e+00 2.072e+00 -4.721e-02 -1.137e-01 / CHEB/ -1.662e-02 4.976e-01 5.210e-02 -2.735e-02 / CHEB/ -1.683e-01 1.206e-01 3.667e-02 1.557e-02 / CHEB/ -1.048e-01 2.955e-02 1.607e-02 5.106e-03 / CHEB/ -5.909e-02 1.188e-02 8.334e-03 -5.463e-03 /

986.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.7	+4.7	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+2.9	+4.2	+4.9

Chebyshev(coeffs=[[6.15141,-2.46191,-0.407568,-0.0139508],[4.59936,1.98847,-0.0124835,-0.077776],[0.228043,0.139832,0.195822,0.0101444],[-0.0715792,-0.00205372,0.0651641,0.0244344],[-0.0411801,0.0497593,0.00695469,0.00549036],[-0.0158545,0.0413062,0.00397733,-0.00184656]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.42
S298 (cal/mol*K) = 14.61
G298 (kcal/mol) = -24.77

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(279); H(25), C7H11(279); C7H10(1)+H(25)(+M)=>C7H11(279)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.151e+00 -2.462e+00 -4.076e-01 -1.395e-02 / CHEB/ 4.599e+00 1.988e+00 -1.248e-02 -7.778e-02 / CHEB/ 2.280e-01 1.398e-01 1.958e-01 1.014e-02 / CHEB/ -7.158e-02 -2.054e-03 6.516e-02 2.443e-02 / CHEB/ -4.118e-02 4.976e-02 6.955e-03 5.490e-03 / CHEB/ -1.585e-02 4.131e-02 3.977e-03 -1.847e-03 /

987.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+3.0	+3.8	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+3.2	+4.4	+4.7

Chebyshev(coeffs=[[5.83089,-0.0712741,-0.215235,0.0309058],[3.94252,1.50775,-0.167512,-0.0810716],[0.179648,0.194683,0.145363,-0.0266932],[-0.122314,0.0616631,0.0699346,0.0104087],[-0.117301,0.0469132,0.0156821,0.00895867],[-0.0583059,0.00289588,0.00211859,0.00508985]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.28
S298 (cal/mol*K) = 10.64
G298 (kcal/mol) = -8.45

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(280); H(25), C7H11(280); C7H10(1)+H(25)(+M)=>C7H11(280)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.831e+00 -7.127e-02 -2.152e-01 3.091e-02 / CHEB/ 3.943e+00 1.508e+00 -1.675e-01 -8.107e-02 / CHEB/ 1.796e-01 1.947e-01 1.454e-01 -2.669e-02 / CHEB/ -1.223e-01 6.166e-02 6.993e-02 1.041e-02 / CHEB/ -1.173e-01 4.691e-02 1.568e-02 8.959e-03 / CHEB/ -5.831e-02 2.896e-03 2.119e-03 5.090e-03 /

988.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.9	-8.7	-2.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-29.0	-8.8	-2.1	+1.1

Chebyshev(coeffs=[[-21.3153,-0.106393,-0.0694683,-0.0344734],[28.4965,0.045004,0.029045,0.0140853],[0.0110699,0.0392045,0.0248468,0.0116276],[-0.044226,0.0169459,0.0108068,0.0051244],[-0.0364698,-0.00691593,-0.00392709,-0.00140101],[-0.0212899,-0.00793106,-0.00476567,-0.00198104]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.01
S298 (cal/mol*K) = 52.66
G298 (kcal/mol) = 65.32

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(281); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>C6H9(281)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.132e+01 -1.064e-01 -6.947e-02 -3.447e-02 / CHEB/ 2.850e+01 4.500e-02 2.905e-02 1.409e-02 / CHEB/ 1.107e-02 3.920e-02 2.485e-02 1.163e-02 / CHEB/ -4.423e-02 1.695e-02 1.081e-02 5.124e-03 / CHEB/ -3.647e-02 -6.916e-03 -3.927e-03 -1.401e-03 / CHEB/ -2.129e-02 -7.931e-03 -4.766e-03 -1.981e-03 /

989.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.3	-12.2	-5.2	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-33.4	-12.3	-5.2	-1.7

Chebyshev(coeffs=[[-25.5068,-0.10041,-0.0658003,-0.0328734],[29.7019,0.0427209,0.0276885,0.0135373],[0.118338,0.0372885,0.0237715,0.011255],[-0.00796937,0.0160829,0.0103163,0.00494748],[-0.0196085,-0.00674517,-0.00388395,-0.00144128],[-0.015892,-0.00764289,-0.00463821,-0.00197273]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 92.72
S298 (cal/mol*K) = 41.63
G298 (kcal/mol) = 80.32

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(282); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(282)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.551e+01 -1.004e-01 -6.580e-02 -3.287e-02 / CHEB/ 2.970e+01 4.272e-02 2.769e-02 1.354e-02 / CHEB/ 1.183e-01 3.729e-02 2.377e-02 1.126e-02 / CHEB/ -7.969e-03 1.608e-02 1.032e-02 4.947e-03 / CHEB/ -1.961e-02 -6.745e-03 -3.884e-03 -1.441e-03 / CHEB/ -1.589e-02 -7.643e-03 -4.638e-03 -1.973e-03 /

990.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+1.4	+2.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+1.3	+3.0	+3.7

Chebyshev(coeffs=[[-3.66253,-0.59032,-0.302302,0.0317834],[6.77055,1.50527,-0.0930246,-0.070345],[-0.0787768,0.477032,0.0539203,-0.0318316],[-0.173255,0.0811343,0.028131,-0.00429918],[-0.0677097,-0.0135394,0.0169099,-0.00503647],[-0.00650863,-0.00990693,0.0171911,-0.00354797]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.48
S298 (cal/mol*K) = -15.44
G298 (kcal/mol) = 22.08

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H10(1); C7H11(46), H(25); C7H11(46)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.663e+00 -5.903e-01 -3.023e-01 3.178e-02 / CHEB/ 6.771e+00 1.505e+00 -9.302e-02 -7.034e-02 / CHEB/ -7.878e-02 4.770e-01 5.392e-02 -3.183e-02 / CHEB/ -1.733e-01 8.113e-02 2.813e-02 -4.299e-03 / CHEB/ -6.771e-02 -1.354e-02 1.691e-02 -5.036e-03 / CHEB/ -6.509e-03 -9.907e-03 1.719e-02 -3.548e-03 /

991.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-1.4	+1.8	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-1.1	+2.5	+4.1

Chebyshev(coeffs=[[-12.0414,0.836197,-0.411352,-0.036536],[15.53,0.461748,0.128646,-0.00940967],[-0.250233,0.25441,0.0401323,-0.0252056],[-0.0993151,0.11006,0.0157263,-0.0156392],[-0.042425,0.00413436,0.019095,0.00358709],[-0.0201305,-0.0158216,0.0133919,0.00792896]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.31
S298 (cal/mol*K) = 5.20
G298 (kcal/mol) = 44.76

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(264); C7H11(46)(+M)=>H(25)+C7H10(264)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.204e+01 8.362e-01 -4.114e-01 -3.654e-02 / CHEB/ 1.553e+01 4.617e-01 1.286e-01 -9.410e-03 / CHEB/ -2.502e-01 2.544e-01 4.013e-02 -2.521e-02 / CHEB/ -9.932e-02 1.101e-01 1.573e-02 -1.564e-02 / CHEB/ -4.243e-02 4.134e-03 1.909e-02 3.587e-03 / CHEB/ -2.013e-02 -1.582e-02 1.339e-02 7.929e-03 /

993.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-0.7	+2.2	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-0.4	+2.8	+4.4

Chebyshev(coeffs=[[-9.73944,0.314004,-0.430158,0.00400403],[12.956,1.16493,0.147337,-0.0696815],[0.519618,0.0342006,0.0191438,-0.00398039],[-0.339748,0.069414,0.0303773,-0.0094835],[-0.0586937,0.0949919,0.0185604,-0.00991967],[0.0507387,-0.0407917,0.00465924,0.00999314]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.35
S298 (cal/mol*K) = -17.99
G298 (kcal/mol) = 3.01

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(265); C7H11(46)(+M)=>C7H11(265)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.739e+00 3.140e-01 -4.302e-01 4.004e-03 / CHEB/ 1.296e+01 1.165e+00 1.473e-01 -6.968e-02 / CHEB/ 5.196e-01 3.420e-02 1.914e-02 -3.980e-03 / CHEB/ -3.397e-01 6.941e-02 3.038e-02 -9.483e-03 / CHEB/ -5.869e-02 9.499e-02 1.856e-02 -9.920e-03 / CHEB/ 5.074e-02 -4.079e-02 4.659e-03 9.993e-03 /

994.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+4.3	+5.3	+5.5
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+4.2	+5.6	+6.1

Chebyshev(coeffs=[[-0.416474,-0.681141,-0.287601,0.0304891],[6.17009,1.47937,-0.116842,-0.063852],[-0.221121,0.505484,0.0398764,-0.0332903],[-0.225082,0.0958384,0.0280096,-0.00547773],[-0.0914207,-0.00961985,0.0171169,-0.00507198],[-0.0152352,-0.00823928,0.0161038,-0.00433744]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.90
S298 (cal/mol*K) = -16.28
G298 (kcal/mol) = -8.05

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(266); C7H11(46)(+M)=>C7H11(266)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.165e-01 -6.811e-01 -2.876e-01 3.049e-02 / CHEB/ 6.170e+00 1.479e+00 -1.168e-01 -6.385e-02 / CHEB/ -2.211e-01 5.055e-01 3.988e-02 -3.329e-02 / CHEB/ -2.251e-01 9.584e-02 2.801e-02 -5.478e-03 / CHEB/ -9.142e-02 -9.620e-03 1.712e-02 -5.072e-03 / CHEB/ -1.524e-02 -8.239e-03 1.610e-02 -4.337e-03 /

995.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-6.3	-1.7	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-21.3	-5.8	-0.9	+1.4

Chebyshev(coeffs=[[-21.0622,1.24216,-0.320831,-0.0460079],[21.9378,0.217833,0.0733717,-0.00790282],[-0.334782,0.198293,0.0519314,-0.0167064],[-0.148967,0.109347,0.0308788,-0.00778499],[-0.0405298,0.00133925,0.0126008,0.00737536],[-0.00662906,-0.0201072,0.0045674,0.00820229]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.70
S298 (cal/mol*K) = 8.71
G298 (kcal/mol) = 70.11

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(28); C7H11(46)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.106e+01 1.242e+00 -3.208e-01 -4.601e-02 / CHEB/ 2.194e+01 2.178e-01 7.337e-02 -7.903e-03 / CHEB/ -3.348e-01 1.983e-01 5.193e-02 -1.671e-02 / CHEB/ -1.490e-01 1.093e-01 3.088e-02 -7.785e-03 / CHEB/ -4.053e-02 1.339e-03 1.260e-02 7.375e-03 / CHEB/ -6.629e-03 -2.011e-02 4.567e-03 8.202e-03 /

996.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-4.9	-0.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-4.5	-0.2	+1.7

Chebyshev(coeffs=[[-17.4153,1.05942,-0.362685,-0.0393609],[18.5532,0.31702,0.0956063,-0.00993498],[-0.288801,0.225071,0.0455524,-0.0228508],[-0.0927291,0.112012,0.0241036,-0.0122582],[-0.0410435,0.00374602,0.0165904,0.00615494],[-0.0261154,-0.0179664,0.00910211,0.00845914]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.85
S298 (cal/mol*K) = -1.38
G298 (kcal/mol) = 60.26

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(33); C7H11(46)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.742e+01 1.059e+00 -3.627e-01 -3.936e-02 / CHEB/ 1.855e+01 3.170e-01 9.561e-02 -9.935e-03 / CHEB/ -2.888e-01 2.251e-01 4.555e-02 -2.285e-02 / CHEB/ -9.273e-02 1.120e-01 2.410e-02 -1.226e-02 / CHEB/ -4.104e-02 3.746e-03 1.659e-02 6.155e-03 / CHEB/ -2.612e-02 -1.797e-02 9.102e-03 8.459e-03 /

997.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.5	-8.7	-3.1	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-26.1	-8.1	-2.3	+0.4

Chebyshev(coeffs=[[-25.5882,1.35215,-0.293978,-0.054001],[25.3966,0.173922,0.0654005,-0.00258726],[-0.268326,0.180275,0.0557227,-0.0108774],[-0.120574,0.101078,0.0333915,-0.00417773],[-0.0381812,-0.000451838,0.00974221,0.00761294],[-0.0076088,-0.0202175,0.00164604,0.0074801]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.25
S298 (cal/mol*K) = 5.62
G298 (kcal/mol) = 81.58

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(32); C7H11(46)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.559e+01 1.352e+00 -2.940e-01 -5.400e-02 / CHEB/ 2.540e+01 1.739e-01 6.540e-02 -2.587e-03 / CHEB/ -2.683e-01 1.803e-01 5.572e-02 -1.088e-02 / CHEB/ -1.206e-01 1.011e-01 3.339e-02 -4.178e-03 / CHEB/ -3.818e-02 -4.518e-04 9.742e-03 7.613e-03 / CHEB/ -7.609e-03 -2.022e-02 1.646e-03 7.480e-03 /

998.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-9.4	-3.8	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-26.8	-8.8	-3.0	-0.2

Chebyshev(coeffs=[[-26.285,1.35037,-0.294459,-0.053863],[25.4032,0.176117,0.0659499,-0.00279839],[-0.203816,0.178422,0.0551837,-0.0107576],[-0.142909,0.102422,0.0337031,-0.00432153],[-0.0307634,-0.000425649,0.00975413,0.00760701],[0.00515834,-0.0210229,0.00145977,0.00755761]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.25
S298 (cal/mol*K) = 4.24
G298 (kcal/mol) = 81.99

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(34); C7H11(46)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.628e+01 1.350e+00 -2.945e-01 -5.386e-02 / CHEB/ 2.540e+01 1.761e-01 6.595e-02 -2.798e-03 / CHEB/ -2.038e-01 1.784e-01 5.518e-02 -1.076e-02 / CHEB/ -1.429e-01 1.024e-01 3.370e-02 -4.322e-03 / CHEB/ -3.076e-02 -4.256e-04 9.754e-03 7.607e-03 / CHEB/ 5.158e-03 -2.102e-02 1.460e-03 7.558e-03 /

999.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-0.4	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-0.3	+2.0	+3.0

Chebyshev(coeffs=[[-7.44344,0.114479,-0.472821,0.0180739],[9.90974,0.968238,0.136387,-0.071117],[-0.241215,0.349975,0.0420686,-0.0179613],[-0.164244,0.0998175,0.00414724,-0.00991416],[-0.0642995,-0.005124,0.0180574,-0.00466687],[-0.00975576,-0.013856,0.0198541,0.00186395]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.01
S298 (cal/mol*K) = -16.60
G298 (kcal/mol) = 11.95

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(267); C7H11(46)(+M)=>C7H11(267)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.443e+00 1.145e-01 -4.728e-01 1.807e-02 / CHEB/ 9.910e+00 9.682e-01 1.364e-01 -7.112e-02 / CHEB/ -2.412e-01 3.500e-01 4.207e-02 -1.796e-02 / CHEB/ -1.642e-01 9.982e-02 4.147e-03 -9.914e-03 / CHEB/ -6.430e-02 -5.124e-03 1.806e-02 -4.667e-03 / CHEB/ -9.756e-03 -1.386e-02 1.985e-02 1.864e-03 /

1000.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.3	+7.8	+8.0	+7.8
log₁₀(k(10 bar)/[mole,m,s])	+6.3	+7.9	+8.3	+8.5

Chebyshev(coeffs=[[6.32332,0.332092,-0.0983181,0.00576165],[1.63977,0.554497,-0.143483,-0.0053929],[-0.182414,0.357026,-0.0634898,-0.0202439],[-0.129155,0.176707,-0.00536658,-0.0211822],[-0.057466,0.055145,0.0224768,-0.0145288],[-0.0156084,-0.000110008,0.0242325,-0.00571938]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.47
S298 (cal/mol*K) = -13.16
G298 (kcal/mol) = -12.55

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(268); C7H11(46)(+M)=>C7H11(268)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.323e+00 3.321e-01 -9.832e-02 5.762e-03 / CHEB/ 1.640e+00 5.545e-01 -1.435e-01 -5.393e-03 / CHEB/ -1.824e-01 3.570e-01 -6.349e-02 -2.024e-02 / CHEB/ -1.292e-01 1.767e-01 -5.367e-03 -2.118e-02 / CHEB/ -5.747e-02 5.514e-02 2.248e-02 -1.453e-02 / CHEB/ -1.561e-02 -1.100e-04 2.423e-02 -5.719e-03 /

1001.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+4.3	+4.5	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+4.7	+5.1	+5.1

Chebyshev(coeffs=[[9.03468,1.09022,-0.0402094,0.0163508],[1.37623,0.213483,-0.160429,-0.0290495],[-0.0460674,0.243677,-0.0119734,-0.0175207],[-0.0851615,0.119919,0.0265009,-0.00823445],[-0.0773036,0.0366332,0.0301765,-0.00237939],[-0.0266715,-0.000894618,0.0147517,0.000320762]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.25
S298 (cal/mol*K) = -32.05
G298 (kcal/mol) = -25.70

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(18); C5H6(62), C7H10(18); C2H4(115)+C5H6(62)(+M)=>C7H10(18)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.035e+00 1.090e+00 -4.021e-02 1.635e-02 / CHEB/ 1.376e+00 2.135e-01 -1.604e-01 -2.905e-02 / CHEB/ -4.607e-02 2.437e-01 -1.197e-02 -1.752e-02 / CHEB/ -8.516e-02 1.199e-01 2.650e-02 -8.234e-03 / CHEB/ -7.730e-02 3.663e-02 3.018e-02 -2.379e-03 / CHEB/ -2.667e-02 -8.946e-04 1.475e-02 3.208e-04 /

1002.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+0.3	+0.4	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-0.3	+0.6	+0.9	+0.9

Chebyshev(coeffs=[[5.22654,1.03756,-0.016025,0.0308364],[1.17898,0.0699133,-0.14654,-0.0083045],[-0.1663,0.142387,-0.0311123,-0.0108675],[-0.0851226,0.0900054,-0.00191387,-0.0082156],[-0.0365259,0.0490053,0.00959749,-0.00628868],[-0.0412784,0.0183482,0.00610598,-0.00611526]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -94.83
S298 (cal/mol*K) = -74.71
G298 (kcal/mol) = -72.57

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(1); C5H6(62), C7H10(1); C2H4(115)+C5H6(62)(+M)=>C7H10(1)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.227e+00 1.038e+00 -1.603e-02 3.084e-02 / CHEB/ 1.179e+00 6.991e-02 -1.465e-01 -8.304e-03 / CHEB/ -1.663e-01 1.424e-01 -3.111e-02 -1.087e-02 / CHEB/ -8.512e-02 9.001e-02 -1.914e-03 -8.216e-03 / CHEB/ -3.653e-02 4.901e-02 9.597e-03 -6.289e-03 / CHEB/ -4.128e-02 1.835e-02 6.106e-03 -6.115e-03 /

1003.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+3.2	+3.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+2.7	+3.1	+3.0

Chebyshev(coeffs=[[7.38887,-0.705993,-0.0963279,0.0322608],[1.67174,0.618049,-0.244095,-0.00695987],[-0.0907267,0.499542,-0.0200005,-0.0216704],[-0.259646,0.22603,0.0560827,-0.0193585],[-0.164486,0.0689695,0.0511858,-0.00512386],[-0.0808853,0.015309,0.0143842,0.00361005]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -78.75
S298 (cal/mol*K) = -36.94
G298 (kcal/mol) = -67.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(146); C5H6(62), C7H10(146); C2H4(115)+C5H6(62)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.389e+00 -7.060e-01 -9.633e-02 3.226e-02 / CHEB/ 1.672e+00 6.180e-01 -2.441e-01 -6.960e-03 / CHEB/ -9.073e-02 4.995e-01 -2.000e-02 -2.167e-02 / CHEB/ -2.596e-01 2.260e-01 5.608e-02 -1.936e-02 / CHEB/ -1.645e-01 6.897e-02 5.119e-02 -5.124e-03 / CHEB/ -8.089e-02 1.531e-02 1.438e-02 3.610e-03 /

1004.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+4.8	+4.9	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+4.1	+5.0	+5.4	+5.5

Chebyshev(coeffs=[[9.78809,0.584366,-0.24128,-0.0197784],[0.970271,0.485911,-0.00747479,-0.0137629],[-0.0317561,0.198152,0.00145012,0.0056382],[-0.0478272,0.0716611,-0.00534964,-0.00382085],[-0.0314361,0.0390261,0.00782943,-0.00786297],[-0.0308651,0.0230231,0.0113334,-0.00586727]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -73.12
S298 (cal/mol*K) = -43.56
G298 (kcal/mol) = -60.14

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(153); C5H6(62), C7H10(153); C2H4(115)+C5H6(62)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.788e+00 5.844e-01 -2.413e-01 -1.978e-02 / CHEB/ 9.703e-01 4.859e-01 -7.475e-03 -1.376e-02 / CHEB/ -3.176e-02 1.982e-01 1.450e-03 5.638e-03 / CHEB/ -4.783e-02 7.166e-02 -5.350e-03 -3.821e-03 / CHEB/ -3.144e-02 3.903e-02 7.829e-03 -7.863e-03 / CHEB/ -3.087e-02 2.302e-02 1.133e-02 -5.867e-03 /

1005.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+0.2	+0.1	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-2.0	-0.2	-0.1	-0.4

Chebyshev(coeffs=[[4.25147,-0.314642,-0.28113,0.0756069],[1.63378,0.412069,-0.181058,-0.0498311],[-0.221929,0.210016,0.0142011,-0.0236787],[-0.290589,0.16292,0.0176939,-0.00983608],[-0.191912,0.1248,0.015575,-0.00932265],[-0.098824,0.0614371,0.0117785,-0.00783006]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -76.77
S298 (cal/mol*K) = -58.43
G298 (kcal/mol) = -59.36

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(21); C5H6(62), C7H10(21); C2H4(115)+C5H6(62)(+M)=>C7H10(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.251e+00 -3.146e-01 -2.811e-01 7.561e-02 / CHEB/ 1.634e+00 4.121e-01 -1.811e-01 -4.983e-02 / CHEB/ -2.219e-01 2.100e-01 1.420e-02 -2.368e-02 / CHEB/ -2.906e-01 1.629e-01 1.769e-02 -9.836e-03 / CHEB/ -1.919e-01 1.248e-01 1.558e-02 -9.323e-03 / CHEB/ -9.882e-02 6.144e-02 1.178e-02 -7.830e-03 /

1006.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+0.6	+0.8	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+0.0	+0.7	+0.4

Chebyshev(coeffs=[[4.08557,-0.749817,-0.139124,0.0105641],[2.43685,0.677498,-0.226779,0.00125515],[0.0963319,0.49663,-0.0296316,-0.0282361],[-0.320641,0.222174,0.0552204,-0.021314],[-0.261317,0.0680858,0.0538813,-0.00347432],[-0.124922,0.0158307,0.0158755,0.00541258]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.85
S298 (cal/mol*K) = -41.76
G298 (kcal/mol) = -54.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(238); C5H6(62), C7H10(238); C2H4(115)+C5H6(62)(+M)=>C7H10(238)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.086e+00 -7.498e-01 -1.391e-01 1.056e-02 / CHEB/ 2.437e+00 6.775e-01 -2.268e-01 1.255e-03 / CHEB/ 9.633e-02 4.966e-01 -2.963e-02 -2.824e-02 / CHEB/ -3.206e-01 2.222e-01 5.522e-02 -2.131e-02 / CHEB/ -2.613e-01 6.809e-02 5.388e-02 -3.474e-03 / CHEB/ -1.249e-01 1.583e-02 1.588e-02 5.413e-03 /

1007.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+2.5	+2.8	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.8	+3.3	+3.2

Chebyshev(coeffs=[[7.07564,0.370644,-0.372643,-0.0688041],[1.45265,0.718206,0.0936005,0.00697156],[0.089233,0.178144,-0.00748617,0.00978291],[-0.0943679,0.0571078,-0.0141034,-0.00937605],[-0.120275,0.0486668,0.0160216,-0.0072941],[-0.0807947,0.0306051,0.0200077,-0.00182622]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.17
S298 (cal/mol*K) = -48.36
G298 (kcal/mol) = -46.76

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(187); C5H6(62), C7H10(187); C2H4(115)+C5H6(62)(+M)=>C7H10(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.076e+00 3.706e-01 -3.726e-01 -6.880e-02 / CHEB/ 1.453e+00 7.182e-01 9.360e-02 6.972e-03 / CHEB/ 8.923e-02 1.781e-01 -7.486e-03 9.783e-03 / CHEB/ -9.437e-02 5.711e-02 -1.410e-02 -9.376e-03 / CHEB/ -1.203e-01 4.867e-02 1.602e-02 -7.294e-03 / CHEB/ -8.079e-02 3.061e-02 2.001e-02 -1.826e-03 /

1008.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+0.9	+1.3	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-0.5	+1.3	+2.0	+2.2

Chebyshev(coeffs=[[5.42958,1.08915,-0.0412222,0.0160732],[1.79417,0.214851,-0.160594,-0.0291338],[0.16462,0.244011,-0.011462,-0.0173624],[-0.0793343,0.11881,0.0268497,-0.00817176],[-0.0650755,0.035512,0.030159,-0.00235753],[-0.0213868,-0.00128168,0.0145603,0.000364555]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.14
S298 (cal/mol*K) = -42.50
G298 (kcal/mol) = -17.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(57); C5H6(62), C7H10(57); C2H4(115)+C5H6(62)(+M)=>C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.430e+00 1.089e+00 -4.122e-02 1.607e-02 / CHEB/ 1.794e+00 2.149e-01 -1.606e-01 -2.913e-02 / CHEB/ 1.646e-01 2.440e-01 -1.146e-02 -1.736e-02 / CHEB/ -7.933e-02 1.188e-01 2.685e-02 -8.172e-03 / CHEB/ -6.508e-02 3.551e-02 3.016e-02 -2.358e-03 / CHEB/ -2.139e-02 -1.282e-03 1.456e-02 3.646e-04 /

1009.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+0.9	+2.4	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+0.4	+2.1	+3.0

Chebyshev(coeffs=[[3.54006,-1.38231,-0.329494,-0.0819058],[4.8463,0.884655,0.113317,0.0248501],[0.628997,0.210096,0.00660683,-0.000363128],[-0.0147143,0.0338474,0.018752,-0.018404],[-0.030809,0.00692429,0.0350787,0.00173752],[-0.000784549,-0.0017395,0.017111,0.0107921]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.66
S298 (cal/mol*K) = -32.21
G298 (kcal/mol) = 7.94

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(58); C5H6(62), C7H10(58); C2H4(115)+C5H6(62)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.540e+00 -1.382e+00 -3.295e-01 -8.191e-02 / CHEB/ 4.846e+00 8.847e-01 1.133e-01 2.485e-02 / CHEB/ 6.290e-01 2.101e-01 6.607e-03 -3.631e-04 / CHEB/ -1.471e-02 3.385e-02 1.875e-02 -1.840e-02 / CHEB/ -3.081e-02 6.924e-03 3.508e-02 1.738e-03 / CHEB/ -7.845e-04 -1.740e-03 1.711e-02 1.079e-02 /

1010.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-2.8	-0.8	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-3.2	-1.0	+0.1

Chebyshev(coeffs=[[-1.36349,-0.909189,-0.102482,-0.00258134],[6.77178,0.510364,-0.10382,-0.0343785],[0.649421,0.258221,0.0564205,-0.0161986],[0.032891,0.0362327,0.0546412,0.00144479],[-0.0209207,-0.0191663,0.0225132,0.0111412],[-0.00427898,-0.0149871,-0.000391448,0.00739723]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.53
S298 (cal/mol*K) = -36.25
G298 (kcal/mol) = -14.73

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(59); C5H6(62), C7H10(59); C2H4(115)+C5H6(62)(+M)=>C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.363e+00 -9.092e-01 -1.025e-01 -2.581e-03 / CHEB/ 6.772e+00 5.104e-01 -1.038e-01 -3.438e-02 / CHEB/ 6.494e-01 2.582e-01 5.642e-02 -1.620e-02 / CHEB/ 3.289e-02 3.623e-02 5.464e-02 1.445e-03 / CHEB/ -2.092e-02 -1.917e-02 2.251e-02 1.114e-02 / CHEB/ -4.279e-03 -1.499e-02 -3.914e-04 7.397e-03 /

1011.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+2.7	+4.3	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+2.2	+4.1	+5.0

Chebyshev(coeffs=[[5.58762,-0.883022,-0.0676115,0.00270188],[4.63278,0.3947,-0.138885,-0.0370921],[0.765036,0.301517,0.0368598,-0.0147755],[0.0508451,0.0741216,0.0554308,-0.00322802],[-0.0103784,-0.0132029,0.0319806,0.00672913],[0.00625392,-0.020449,0.00490787,0.00770651]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.95
S298 (cal/mol*K) = -15.05
G298 (kcal/mol) = -1.47

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(60); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.588e+00 -8.830e-01 -6.761e-02 2.702e-03 / CHEB/ 4.633e+00 3.947e-01 -1.389e-01 -3.709e-02 / CHEB/ 7.650e-01 3.015e-01 3.686e-02 -1.478e-02 / CHEB/ 5.085e-02 7.412e-02 5.543e-02 -3.228e-03 / CHEB/ -1.038e-02 -1.320e-02 3.198e-02 6.729e-03 / CHEB/ 6.254e-03 -2.045e-02 4.908e-03 7.707e-03 /

1012.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.7	+0.8	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-2.9	+0.7	+2.6

Chebyshev(coeffs=[[-4.94572,-0.832699,-0.193986,0.00849006],[12.7958,0.665624,0.0348679,-0.0670352],[0.657632,0.113348,0.0895226,0.0100159],[0.101359,0.00121316,0.0278777,0.0170045],[0.0123831,-0.0176168,0.000802316,0.010305],[-0.00154158,-0.00730566,-0.00478337,0.00140961]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.03
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = 33.37

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(61); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(61)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.946e+00 -8.327e-01 -1.940e-01 8.490e-03 / CHEB/ 1.280e+01 6.656e-01 3.487e-02 -6.704e-02 / CHEB/ 6.576e-01 1.133e-01 8.952e-02 1.002e-02 / CHEB/ 1.014e-01 1.213e-03 2.788e-02 1.700e-02 / CHEB/ 1.238e-02 -1.762e-02 8.023e-04 1.030e-02 / CHEB/ -1.542e-03 -7.306e-03 -4.783e-03 1.410e-03 /

1013.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+1.7	+2.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+2.1	+3.3	+3.7

Chebyshev(coeffs=[[5.81986,0.391492,-0.0177808,0.0483097],[2.6247,0.998468,-0.235717,-0.0870288],[0.318173,0.38604,0.0345687,-0.0279454],[0.00985417,0.0562061,0.0544037,0.00139117],[-0.0318528,-0.0294627,0.0317419,0.00908632],[-0.00745767,-0.035653,0.00775022,0.00653379]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.75
S298 (cal/mol*K) = -39.28
G298 (kcal/mol) = -39.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(63); C5H6(62), C7H10(63); C2H4(115)+C5H6(62)(+M)=>C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.820e+00 3.915e-01 -1.778e-02 4.831e-02 / CHEB/ 2.625e+00 9.985e-01 -2.357e-01 -8.703e-02 / CHEB/ 3.182e-01 3.860e-01 3.457e-02 -2.795e-02 / CHEB/ 9.854e-03 5.621e-02 5.440e-02 1.391e-03 / CHEB/ -3.185e-02 -2.946e-02 3.174e-02 9.086e-03 / CHEB/ -7.458e-03 -3.565e-02 7.750e-03 6.534e-03 /

1014.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	+0.2	+2.6	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.2	+2.4	+3.7

Chebyshev(coeffs=[[1.29989,-1.30381,-0.060472,0.0244006],[7.40693,1.19402,-0.153568,-0.08268],[1.03484,-0.0374327,0.0671065,0.0107239],[0.00219257,0.0477896,0.0903118,0.0015028],[-0.00630762,0.01501,-0.0049201,0.00632719],[0.00696827,-0.0317241,-0.00368057,0.0140097]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.25
S298 (cal/mol*K) = -30.88
G298 (kcal/mol) = 2.95

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(64); C5H6(62), C7H10(64); C2H4(115)+C5H6(62)(+M)=>C7H10(64)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.300e+00 -1.304e+00 -6.047e-02 2.440e-02 / CHEB/ 7.407e+00 1.194e+00 -1.536e-01 -8.268e-02 / CHEB/ 1.035e+00 -3.743e-02 6.711e-02 1.072e-02 / CHEB/ 2.193e-03 4.779e-02 9.031e-02 1.503e-03 / CHEB/ -6.308e-03 1.501e-02 -4.920e-03 6.327e-03 / CHEB/ 6.968e-03 -3.172e-02 -3.681e-03 1.401e-02 /

1015.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+0.6	+2.5	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+0.1	+2.4	+3.6

Chebyshev(coeffs=[[3.81771,-1.82558,-0.152769,0.0489549],[4.49588,1.42564,-0.0538133,-0.0747982],[1.02796,0.455578,0.0887375,-0.0388549],[0.190263,-0.0748004,0.0272641,0.00540483],[0.0300763,-0.114477,0.00684544,0.018541],[0.00200396,-0.0270868,0.00925073,0.0104501]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.35
S298 (cal/mol*K) = -33.66
G298 (kcal/mol) = -17.32

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(65); C5H6(62), C7H10(65); C2H4(115)+C5H6(62)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.818e+00 -1.826e+00 -1.528e-01 4.895e-02 / CHEB/ 4.496e+00 1.426e+00 -5.381e-02 -7.480e-02 / CHEB/ 1.028e+00 4.556e-01 8.874e-02 -3.885e-02 / CHEB/ 1.903e-01 -7.480e-02 2.726e-02 5.405e-03 / CHEB/ 3.008e-02 -1.145e-01 6.845e-03 1.854e-02 / CHEB/ 2.004e-03 -2.709e-02 9.251e-03 1.045e-02 /

1016.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-2.3	+0.4	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-2.8	+0.3	+1.9

Chebyshev(coeffs=[[-0.340304,-1.85217,-0.177892,0.03565],[6.57273,1.50679,-0.0397417,-0.078216],[1.42818,0.491067,0.126596,-0.0260087],[0.23519,-0.102163,0.0366348,0.0132749],[0.0466589,-0.153625,-0.00780353,0.019857],[0.00968982,-0.0414237,-0.00491764,0.00999877]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.45
S298 (cal/mol*K) = -31.98
G298 (kcal/mol) = -5.92

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(66); C5H6(62), C7H10(66); C2H4(115)+C5H6(62)(+M)=>C7H10(66)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.403e-01 -1.852e+00 -1.779e-01 3.565e-02 / CHEB/ 6.573e+00 1.507e+00 -3.974e-02 -7.822e-02 / CHEB/ 1.428e+00 4.911e-01 1.266e-01 -2.601e-02 / CHEB/ 2.352e-01 -1.022e-01 3.663e-02 1.327e-02 / CHEB/ 4.666e-02 -1.536e-01 -7.804e-03 1.986e-02 / CHEB/ 9.690e-03 -4.142e-02 -4.918e-03 9.999e-03 /

1017.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-1.2	+1.0	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-1.8	+0.8	+2.4

Chebyshev(coeffs=[[1.94496,-1.88318,-0.201687,0.0375763],[4.87323,1.3819,-0.0572781,-0.0794995],[1.14543,0.54494,0.150347,-0.0198882],[0.313677,0.0282961,0.0633694,0.00906564],[0.112145,-0.103463,-0.0108874,0.00520911],[0.0315571,-0.0867015,-0.0201883,0.00461655]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.55
S298 (cal/mol*K) = -34.76
G298 (kcal/mol) = -26.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(67); C5H6(62), C7H10(67); C2H4(115)+C5H6(62)(+M)=>C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.945e+00 -1.883e+00 -2.017e-01 3.758e-02 / CHEB/ 4.873e+00 1.382e+00 -5.728e-02 -7.950e-02 / CHEB/ 1.145e+00 5.449e-01 1.503e-01 -1.989e-02 / CHEB/ 3.137e-01 2.830e-02 6.337e-02 9.066e-03 / CHEB/ 1.121e-01 -1.035e-01 -1.089e-02 5.209e-03 / CHEB/ 3.156e-02 -8.670e-02 -2.019e-02 4.617e-03 /

1018.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	-0.1	+1.9	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-0.5	+1.7	+2.9

Chebyshev(coeffs=[[2.38737,-1.66548,-0.111866,0.0509567],[5.37963,1.44356,-0.0697116,-0.089028],[1.07587,0.218738,0.0253109,-0.0359949],[0.0871647,-0.122369,0.0515501,0.0266137],[-0.0132194,-0.0233403,0.0417894,0.0155171],[-0.0141288,0.0133932,-0.00103622,-0.00285346]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.45
S298 (cal/mol*K) = -31.98
G298 (kcal/mol) = -5.92

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(68); C5H6(62), C7H10(68); C2H4(115)+C5H6(62)(+M)=>C7H10(68)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.387e+00 -1.665e+00 -1.119e-01 5.096e-02 / CHEB/ 5.380e+00 1.444e+00 -6.971e-02 -8.903e-02 / CHEB/ 1.076e+00 2.187e-01 2.531e-02 -3.599e-02 / CHEB/ 8.716e-02 -1.224e-01 5.155e-02 2.661e-02 / CHEB/ -1.322e-02 -2.334e-02 4.179e-02 1.552e-02 / CHEB/ -1.413e-02 1.339e-02 -1.036e-03 -2.853e-03 /

1019.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+3.5	+4.3	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+2.6	+3.8	+4.4

Chebyshev(coeffs=[[7.16979,-1.82138,-0.0928301,0.0885588],[2.98872,0.920243,-0.268527,-0.115796],[0.335528,0.474394,0.0882968,-0.0402825],[-0.0609627,0.114354,0.0861458,0.0100666],[-0.0242978,0.000210392,0.0256,0.008711],[0.0195001,-0.0100502,-0.00170652,-0.00220622]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.55
S298 (cal/mol*K) = -34.76
G298 (kcal/mol) = -26.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(69); C5H6(62), C7H10(69); C2H4(115)+C5H6(62)(+M)=>C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.170e+00 -1.821e+00 -9.283e-02 8.856e-02 / CHEB/ 2.989e+00 9.202e-01 -2.685e-01 -1.158e-01 / CHEB/ 3.355e-01 4.744e-01 8.830e-02 -4.028e-02 / CHEB/ -6.096e-02 1.144e-01 8.615e-02 1.007e-02 / CHEB/ -2.430e-02 2.104e-04 2.560e-02 8.711e-03 / CHEB/ 1.950e-02 -1.005e-02 -1.707e-03 -2.206e-03 /

1020.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	+0.7	+2.5	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+0.3	+2.3	+3.3

Chebyshev(coeffs=[[3.12576,-0.909367,-0.0739954,0.000112057],[5.4044,0.445697,-0.135433,-0.0336254],[0.743361,0.297581,0.0452243,-0.0167559],[0.0280199,0.0601582,0.0572318,-0.0025595],[-0.0201844,-0.0191198,0.0292245,0.00912268],[0.000656279,-0.0206856,0.00229865,0.00829248]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.25
S298 (cal/mol*K) = -30.88
G298 (kcal/mol) = 2.95

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(70); C5H6(62), C7H10(70); C2H4(115)+C5H6(62)(+M)=>C7H10(70)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.126e+00 -9.094e-01 -7.400e-02 1.121e-04 / CHEB/ 5.404e+00 4.457e-01 -1.354e-01 -3.363e-02 / CHEB/ 7.434e-01 2.976e-01 4.522e-02 -1.676e-02 / CHEB/ 2.802e-02 6.016e-02 5.723e-02 -2.560e-03 / CHEB/ -2.018e-02 -1.912e-02 2.922e-02 9.123e-03 / CHEB/ 6.563e-04 -2.069e-02 2.299e-03 8.292e-03 /

1021.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+0.2	+2.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-4.5	-0.3	+1.8	+2.9

Chebyshev(coeffs=[[3.4416,-1.03738,-0.0109321,0.00031865],[4.32658,0.521719,-0.221496,-0.03544],[0.971504,0.366151,0.0424389,-0.0311268],[0.172068,0.0794312,0.0748278,0.00171598],[0.017238,-0.0424058,0.0372982,0.0156879],[-0.00305571,-0.0449478,-0.000439096,0.0100197]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.01
S298 (cal/mol*K) = -38.37
G298 (kcal/mol) = -16.58

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(71); C5H6(62), C7H10(71); C2H4(115)+C5H6(62)(+M)=>C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.442e+00 -1.037e+00 -1.093e-02 3.186e-04 / CHEB/ 4.327e+00 5.217e-01 -2.215e-01 -3.544e-02 / CHEB/ 9.715e-01 3.662e-01 4.244e-02 -3.113e-02 / CHEB/ 1.721e-01 7.943e-02 7.483e-02 1.716e-03 / CHEB/ 1.724e-02 -4.241e-02 3.730e-02 1.569e-02 / CHEB/ -3.056e-03 -4.495e-02 -4.391e-04 1.002e-02 /

1022.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.2	-5.5	-0.5	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-5.6	-0.5	+2.0

Chebyshev(coeffs=[[-13.0597,-0.446977,-0.214357,-0.048217],[20.8648,0.330655,0.132177,0.00507267],[0.211959,0.0951149,0.0528448,0.0170038],[0.024202,-0.0161645,0.00457413,0.0120947],[-0.00832484,-0.0039549,-0.00149106,0.00133544],[-0.0103598,0.000347494,-0.00124857,-0.0012407]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.07
S298 (cal/mol*K) = 9.44
G298 (kcal/mol) = 62.26

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H6(62); C2H4(115), C2H4(72); C2H4(115)+C5H6(62)(+M)=>C5H6(62)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.306e+01 -4.470e-01 -2.144e-01 -4.822e-02 / CHEB/ 2.086e+01 3.307e-01 1.322e-01 5.073e-03 / CHEB/ 2.120e-01 9.511e-02 5.284e-02 1.700e-02 / CHEB/ 2.420e-02 -1.616e-02 4.574e-03 1.209e-02 / CHEB/ -8.325e-03 -3.955e-03 -1.491e-03 1.335e-03 / CHEB/ -1.036e-02 3.475e-04 -1.249e-03 -1.241e-03 /

1023.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-8.4	-1.8	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-8.5	-1.9	+1.5

Chebyshev(coeffs=[[-19.6069,-0.317551,-0.172982,-0.0567867],[26.6674,0.236278,0.115825,0.0253841],[0.355201,0.0703072,0.0415432,0.016482],[0.0827966,-0.0145461,-0.00087348,0.00642913],[0.000979954,-0.000623738,-0.000652692,-0.00014132],[-0.000301216,0.000876222,-0.000379284,-0.000873206]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.50
S298 (cal/mol*K) = 13.35
G298 (kcal/mol) = 79.53

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H6(74); C2H4(115), C3H4(73); C2H4(115)+C5H6(62)(+M)=>C4H6(74)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.961e+01 -3.176e-01 -1.730e-01 -5.679e-02 / CHEB/ 2.667e+01 2.363e-01 1.158e-01 2.538e-02 / CHEB/ 3.552e-01 7.031e-02 4.154e-02 1.648e-02 / CHEB/ 8.280e-02 -1.455e-02 -8.735e-04 6.429e-03 / CHEB/ 9.800e-04 -6.237e-04 -6.527e-04 -1.413e-04 / CHEB/ -3.012e-04 8.762e-04 -3.793e-04 -8.732e-04 /

1024.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-1.5	+0.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-7.0	-2.0	+0.2	+1.4

Chebyshev(coeffs=[[0.734849,-1.13025,-0.203355,-0.0417135],[5.72826,0.727082,0.0233981,0.00655082],[0.811464,0.265461,0.0382572,-0.00495136],[0.0949028,0.0452335,0.0399963,-0.00975222],[0.017699,-0.0113407,0.0291507,0.00531761],[0.0197577,-0.016198,0.00704604,0.00935987]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.58
S298 (cal/mol*K) = -30.00
G298 (kcal/mol) = 12.52

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(75); C5H6(62), C7H10(75); C2H4(115)+C5H6(62)(+M)=>C7H10(75)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.348e-01 -1.130e+00 -2.034e-01 -4.171e-02 / CHEB/ 5.728e+00 7.271e-01 2.340e-02 6.551e-03 / CHEB/ 8.115e-01 2.655e-01 3.826e-02 -4.951e-03 / CHEB/ 9.490e-02 4.523e-02 4.000e-02 -9.752e-03 / CHEB/ 1.770e-02 -1.134e-02 2.915e-02 5.318e-03 / CHEB/ 1.976e-02 -1.620e-02 7.046e-03 9.360e-03 /

1025.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+0.9	+2.3	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+0.4	+2.1	+2.9

Chebyshev(coeffs=[[3.87769,-0.891873,-0.0686819,0.0036142],[4.41595,0.375153,-0.142649,-0.0363166],[0.643753,0.291951,0.0309284,-0.0149434],[0.000121646,0.0760642,0.0518556,-0.00437314],[-0.0345518,-0.00846066,0.031723,0.0052464],[-0.00563794,-0.0175673,0.00618374,0.00683688]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.92
S298 (cal/mol*K) = -36.39
G298 (kcal/mol) = -9.08

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(76); C5H6(62), C7H10(76); C2H4(115)+C5H6(62)(+M)=>C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.878e+00 -8.919e-01 -6.868e-02 3.614e-03 / CHEB/ 4.416e+00 3.752e-01 -1.426e-01 -3.632e-02 / CHEB/ 6.438e-01 2.920e-01 3.093e-02 -1.494e-02 / CHEB/ 1.216e-04 7.606e-02 5.186e-02 -4.373e-03 / CHEB/ -3.455e-02 -8.461e-03 3.172e-02 5.246e-03 / CHEB/ -5.638e-03 -1.757e-02 6.184e-03 6.837e-03 /

1026.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+0.2	+1.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-0.7	+0.8	+1.5

Chebyshev(coeffs=[[3.76095,-2.06771,-0.166785,0.050218],[3.28743,1.2226,-0.107778,-0.0593528],[0.505817,0.617378,0.0908876,-0.0320493],[-0.0329853,0.142993,0.0751271,-0.00389343],[-0.0550572,-0.0223565,0.0299339,0.00473867],[0.0126789,-0.0356871,-0.000716046,0.00232779]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -41.93
S298 (cal/mol*K) = -44.50
G298 (kcal/mol) = -28.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(77); C5H6(62), C7H10(77); C2H4(115)+C5H6(62)(+M)=>C7H10(77)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.761e+00 -2.068e+00 -1.668e-01 5.022e-02 / CHEB/ 3.287e+00 1.223e+00 -1.078e-01 -5.935e-02 / CHEB/ 5.058e-01 6.174e-01 9.089e-02 -3.205e-02 / CHEB/ -3.299e-02 1.430e-01 7.513e-02 -3.893e-03 / CHEB/ -5.506e-02 -2.236e-02 2.993e-02 4.739e-03 / CHEB/ 1.268e-02 -3.569e-02 -7.160e-04 2.328e-03 /

1027.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+3.1	+3.9	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+2.5	+3.6	+4.1

Chebyshev(coeffs=[[7.01203,-0.890819,-0.0518443,0.00977206],[2.7837,0.291059,-0.155689,-0.0351804],[0.41728,0.280072,0.00834222,-0.0167895],[-0.0293486,0.107328,0.0422694,-0.00618855],[-0.0566949,0.0123662,0.0346221,0.00117617],[-0.0125005,-0.0144005,0.0118769,0.0041206]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.03
S298 (cal/mol*K) = -48.82
G298 (kcal/mol) = -29.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(78); C5H6(62), C7H10(78); C2H4(115)+C5H6(62)(+M)=>C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.012e+00 -8.908e-01 -5.184e-02 9.772e-03 / CHEB/ 2.784e+00 2.911e-01 -1.557e-01 -3.518e-02 / CHEB/ 4.173e-01 2.801e-01 8.342e-03 -1.679e-02 / CHEB/ -2.935e-02 1.073e-01 4.227e-02 -6.189e-03 / CHEB/ -5.669e-02 1.237e-02 3.462e-02 1.176e-03 / CHEB/ -1.250e-02 -1.440e-02 1.188e-02 4.121e-03 /

1028.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+3.6	+3.6	+3.0
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+3.4	+3.7	+3.5

Chebyshev(coeffs=[[7.84589,-0.323856,-0.214261,0.0515508],[1.46232,0.815558,-0.202899,-0.0585048],[-0.0622753,0.4235,0.0604453,-0.0317389],[-0.204835,0.140376,0.0755473,0.00516668],[-0.154943,0.0410448,0.0358674,0.00989841],[-0.0875689,0.0178681,0.00322108,-0.000153755]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -85.95
S298 (cal/mol*K) = -41.73
G298 (kcal/mol) = -73.52

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(79); C5H6(62), C7H10(79); C2H4(115)+C5H6(62)(+M)=>C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.846e+00 -3.239e-01 -2.143e-01 5.155e-02 / CHEB/ 1.462e+00 8.156e-01 -2.029e-01 -5.850e-02 / CHEB/ -6.228e-02 4.235e-01 6.045e-02 -3.174e-02 / CHEB/ -2.048e-01 1.404e-01 7.555e-02 5.167e-03 / CHEB/ -1.549e-01 4.104e-02 3.587e-02 9.898e-03 / CHEB/ -8.757e-02 1.787e-02 3.221e-03 -1.538e-04 /

1029.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+3.2	+3.3	+2.9
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+2.9	+3.4	+3.3

Chebyshev(coeffs=[[7.4678,-0.283351,-0.255137,0.05066],[1.43446,0.762835,-0.231445,-0.0681876],[0.00154573,0.337983,0.0375136,-0.0314504],[-0.13689,0.10513,0.0550444,0.00442757],[-0.127114,0.0577275,0.0280378,0.00563621],[-0.0877504,0.0410662,0.0114121,-0.00298393]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.07
S298 (cal/mol*K) = -38.69
G298 (kcal/mol) = -58.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(80); C5H6(62), C7H10(80); C2H4(115)+C5H6(62)(+M)=>C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.468e+00 -2.834e-01 -2.551e-01 5.066e-02 / CHEB/ 1.434e+00 7.628e-01 -2.314e-01 -6.819e-02 / CHEB/ 1.546e-03 3.380e-01 3.751e-02 -3.145e-02 / CHEB/ -1.369e-01 1.051e-01 5.504e-02 4.428e-03 / CHEB/ -1.271e-01 5.773e-02 2.804e-02 5.636e-03 / CHEB/ -8.775e-02 4.107e-02 1.141e-02 -2.984e-03 /

1030.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-4.2	-0.0	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-4.4	-0.1	+2.1

Chebyshev(coeffs=[[-9.11078,-0.596145,-0.234406,-0.0257542],[16.7853,0.437787,0.121469,-0.0266571],[0.360507,0.125025,0.0647187,0.0133343],[0.0600954,-0.0155051,0.0141488,0.0170223],[0.000440296,-0.00981105,-0.00157404,0.00499514],[-0.00821779,-0.00179048,-0.00286691,-0.00074992]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.97
S298 (cal/mol*K) = 0.62
G298 (kcal/mol) = 41.78

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(81); C2H4(115), CH2(T)(82); C2H4(115)+C5H6(62)(+M)=>CH2(T)(82)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.111e+00 -5.961e-01 -2.344e-01 -2.575e-02 / CHEB/ 1.679e+01 4.378e-01 1.215e-01 -2.666e-02 / CHEB/ 3.605e-01 1.250e-01 6.472e-02 1.333e-02 / CHEB/ 6.010e-02 -1.551e-02 1.415e-02 1.702e-02 / CHEB/ 4.403e-04 -9.811e-03 -1.574e-03 4.995e-03 / CHEB/ -8.218e-03 -1.790e-03 -2.867e-03 -7.499e-04 /

1031.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.4	-14.8	-6.8	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-38.6	-14.8	-6.8	-2.8

Chebyshev(coeffs=[[-30.4785,-0.203593,-0.12233,-0.0511194],[33.4791,0.149574,0.0848658,0.0305733],[0.155737,0.049114,0.0304331,0.0135764],[0.0171578,-0.0114034,-0.00355847,0.00167323],[-0.00192655,0.00044364,-2.83605e-05,-0.0002276],[-0.00180603,0.000926368,0.000108113,-0.000372271]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.38
S298 (cal/mol*K) = 6.75
G298 (kcal/mol) = 95.37

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(83); C2H4(115), CH2(T)(82); C2H4(115)+C5H6(62)(+M)=>CH2(T)(82)+C6H8(83)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.048e+01 -2.036e-01 -1.223e-01 -5.112e-02 / CHEB/ 3.348e+01 1.496e-01 8.487e-02 3.057e-02 / CHEB/ 1.557e-01 4.911e-02 3.043e-02 1.358e-02 / CHEB/ 1.716e-02 -1.140e-02 -3.558e-03 1.673e-03 / CHEB/ -1.927e-03 4.436e-04 -2.836e-05 -2.276e-04 / CHEB/ -1.806e-03 9.264e-04 1.081e-04 -3.723e-04 /

1032.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-2.6	+0.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-2.9	+0.8	+2.8

Chebyshev(coeffs=[[-5.04991,-0.886751,-0.195617,0.0166449],[13.017,0.762913,0.0379601,-0.0816948],[0.693758,0.0580993,0.0887111,0.0189132],[0.0892705,0.0117051,0.0289665,0.0150889],[0.0127054,-0.0150207,-0.00215126,0.00996468],[-0.000438467,-0.00884839,-0.00366886,0.00140694]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.03
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = 33.37

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(84); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(84)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.050e+00 -8.868e-01 -1.956e-01 1.664e-02 / CHEB/ 1.302e+01 7.629e-01 3.796e-02 -8.169e-02 / CHEB/ 6.938e-01 5.810e-02 8.871e-02 1.891e-02 / CHEB/ 8.927e-02 1.171e-02 2.897e-02 1.509e-02 / CHEB/ 1.271e-02 -1.502e-02 -2.151e-03 9.965e-03 / CHEB/ -4.385e-04 -8.848e-03 -3.669e-03 1.407e-03 /

1033.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-3.4	-0.6	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-3.9	-0.7	+1.2

Chebyshev(coeffs=[[-1.811,-1.82509,-0.259093,0.0255239],[7.28049,1.43307,0.0114397,-0.0761645],[1.25665,0.481034,0.177891,0.000238735],[0.301192,0.00575873,0.0635475,0.0176481],[0.119574,-0.0934272,-0.0128065,0.00649488],[0.0426243,-0.0780971,-0.0250232,0.000580825]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.95
S298 (cal/mol*K) = -26.08
G298 (kcal/mol) = 8.72

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(85); C5H6(62), C7H10(85); C2H4(115)+C5H6(62)(+M)=>C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.811e+00 -1.825e+00 -2.591e-01 2.552e-02 / CHEB/ 7.280e+00 1.433e+00 1.144e-02 -7.616e-02 / CHEB/ 1.257e+00 4.810e-01 1.779e-01 2.387e-04 / CHEB/ 3.012e-01 5.759e-03 6.355e-02 1.765e-02 / CHEB/ 1.196e-01 -9.343e-02 -1.281e-02 6.495e-03 / CHEB/ 4.262e-02 -7.810e-02 -2.502e-02 5.808e-04 /

1034.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-3.5	-0.7	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-4.1	-0.8	+1.2

Chebyshev(coeffs=[[-1.67881,-1.81206,-0.252075,0.0287678],[7.03233,1.44097,0.00905042,-0.0741368],[1.29221,0.4755,0.181678,-0.00085356],[0.372368,-0.00160991,0.0622834,0.0128131],[0.162585,-0.0925377,-0.0182828,0.00176461],[0.0383942,-0.0798301,-0.0287191,0.00123304]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.95
S298 (cal/mol*K) = -26.08
G298 (kcal/mol) = 8.72

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(86); C5H6(62), C7H10(86); C2H4(115)+C5H6(62)(+M)=>C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.679e+00 -1.812e+00 -2.521e-01 2.877e-02 / CHEB/ 7.032e+00 1.441e+00 9.050e-03 -7.414e-02 / CHEB/ 1.292e+00 4.755e-01 1.817e-01 -8.536e-04 / CHEB/ 3.724e-01 -1.610e-03 6.228e-02 1.281e-02 / CHEB/ 1.626e-01 -9.254e-02 -1.828e-02 1.765e-03 / CHEB/ 3.839e-02 -7.983e-02 -2.872e-02 1.233e-03 /

1035.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-1.6	+0.2	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-2.5	-0.1	+1.3

Chebyshev(coeffs=[[-0.402186,-2.30679,-0.150792,0.0211471],[7.02601,1.50191,-0.146591,-0.0253371],[0.561757,0.753935,0.141169,-0.0340682],[-0.0914572,0.135069,0.129513,-0.00264974],[0.055763,-0.0538103,0.0306835,0.0156598],[0.1344,-0.0552014,-0.0268325,0.00477321]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.95
S298 (cal/mol*K) = -26.08
G298 (kcal/mol) = 8.72

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(87); C5H6(62), C7H10(87); C2H4(115)+C5H6(62)(+M)=>C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.022e-01 -2.307e+00 -1.508e-01 2.115e-02 / CHEB/ 7.026e+00 1.502e+00 -1.466e-01 -2.534e-02 / CHEB/ 5.618e-01 7.539e-01 1.412e-01 -3.407e-02 / CHEB/ -9.146e-02 1.351e-01 1.295e-01 -2.650e-03 / CHEB/ 5.576e-02 -5.381e-02 3.068e-02 1.566e-02 / CHEB/ 1.344e-01 -5.520e-02 -2.683e-02 4.773e-03 /

1036.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-1.2	+1.4	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-1.6	+1.2	+2.4

Chebyshev(coeffs=[[-1.22236,-1.81716,-0.300603,0.00278986],[8.8044,1.47455,-0.00735717,-0.0882166],[1.02067,0.329816,0.178707,0.00107699],[-0.0471278,-0.0920646,0.0516184,0.0291068],[-0.0988282,-0.0870243,-0.0191685,0.0119782],[-0.048951,-0.0209709,-0.0196652,-0.00234158]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.15
S298 (cal/mol*K) = -26.50
G298 (kcal/mol) = 11.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(88); C5H6(62), C7H10(88); C2H4(115)+C5H6(62)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.222e+00 -1.817e+00 -3.006e-01 2.790e-03 / CHEB/ 8.804e+00 1.475e+00 -7.357e-03 -8.822e-02 / CHEB/ 1.021e+00 3.298e-01 1.787e-01 1.077e-03 / CHEB/ -4.713e-02 -9.206e-02 5.162e-02 2.911e-02 / CHEB/ -9.883e-02 -8.702e-02 -1.917e-02 1.198e-02 / CHEB/ -4.895e-02 -2.097e-02 -1.967e-02 -2.342e-03 /

1037.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+2.0	+3.3	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-2.3	+1.4	+3.0	+3.8

Chebyshev(coeffs=[[5.40656,-1.18284,0.0913104,-0.0359743],[3.80764,0.540652,-0.259077,0.00715256],[0.568421,0.42225,-0.0308994,-0.00733363],[-0.013023,0.131852,0.0421011,-0.0134512],[-0.0221424,-0.0197971,0.0454626,-0.00133329],[0.0215989,-0.0568583,0.021764,0.00796791]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.82
S298 (cal/mol*K) = -35.90
G298 (kcal/mol) = -25.12

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(89); C5H6(62), C7H10(89); C2H4(115)+C5H6(62)(+M)=>C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.407e+00 -1.183e+00 9.131e-02 -3.597e-02 / CHEB/ 3.808e+00 5.407e-01 -2.591e-01 7.153e-03 / CHEB/ 5.684e-01 4.223e-01 -3.090e-02 -7.334e-03 / CHEB/ -1.302e-02 1.319e-01 4.210e-02 -1.345e-02 / CHEB/ -2.214e-02 -1.980e-02 4.546e-02 -1.333e-03 / CHEB/ 2.160e-02 -5.686e-02 2.176e-02 7.968e-03 /

1038.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+0.1	+1.9	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.0	-0.6	+1.7	+3.3

Chebyshev(coeffs=[[3.24295,-1.92131,-0.211484,0.0404663],[4.65538,1.33603,-0.0671398,-0.0728978],[0.932048,0.554382,0.161995,-0.0142023],[0.203627,0.0815579,0.0864605,0.0116615],[0.11424,-0.046601,0.00569738,0.00285487],[0.0810826,-0.0607278,-0.0213496,-0.00215188]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.55
S298 (cal/mol*K) = -33.92
G298 (kcal/mol) = -13.44

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(90); C5H6(62), C7H10(90); C2H4(115)+C5H6(62)(+M)=>C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.243e+00 -1.921e+00 -2.115e-01 4.047e-02 / CHEB/ 4.655e+00 1.336e+00 -6.714e-02 -7.290e-02 / CHEB/ 9.320e-01 5.544e-01 1.620e-01 -1.420e-02 / CHEB/ 2.036e-01 8.156e-02 8.646e-02 1.166e-02 / CHEB/ 1.142e-01 -4.660e-02 5.697e-03 2.855e-03 / CHEB/ 8.108e-02 -6.073e-02 -2.135e-02 -2.152e-03 /

1039.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-2.3	+0.3	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-2.6	+0.1	+1.5

Chebyshev(coeffs=[[-2.51148,-0.874385,-0.153166,0.00224095],[9.43381,0.578315,-0.0349823,-0.047926],[0.544007,0.206909,0.073217,-0.0101902],[0.0566205,0.00885285,0.0465231,0.0110023],[-0.010142,-0.0196344,0.0113558,0.0129277],[-0.00566305,-0.010696,-0.00421186,0.00499647]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.11
S298 (cal/mol*K) = -32.23
G298 (kcal/mol) = 13.72

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(91); C5H6(62), C7H10(91); C2H4(115)+C5H6(62)(+M)=>C7H10(91)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.511e+00 -8.744e-01 -1.532e-01 2.241e-03 / CHEB/ 9.434e+00 5.783e-01 -3.498e-02 -4.793e-02 / CHEB/ 5.440e-01 2.069e-01 7.322e-02 -1.019e-02 / CHEB/ 5.662e-02 8.853e-03 4.652e-02 1.100e-02 / CHEB/ -1.014e-02 -1.963e-02 1.136e-02 1.293e-02 / CHEB/ -5.663e-03 -1.070e-02 -4.212e-03 4.996e-03 /

1040.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+2.6	+3.2	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+2.0	+2.8	+3.1

Chebyshev(coeffs=[[6.93245,-0.899357,-0.0444734,0.0132488],[2.10389,0.251032,-0.158862,-0.0325705],[0.239593,0.265283,-0.00307739,-0.0177927],[-0.0512423,0.118267,0.0344711,-0.00730538],[-0.0506399,0.0263751,0.0333253,-0.000627347],[-0.014572,-0.00814051,0.0141697,0.00223684]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.46
S298 (cal/mol*K) = -60.65
G298 (kcal/mol) = -34.39

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(33); C5H6(62), C7H10(33); C2H4(115)+C5H6(62)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.932e+00 -8.994e-01 -4.447e-02 1.325e-02 / CHEB/ 2.104e+00 2.510e-01 -1.589e-01 -3.257e-02 / CHEB/ 2.396e-01 2.653e-01 -3.077e-03 -1.779e-02 / CHEB/ -5.124e-02 1.183e-01 3.447e-02 -7.305e-03 / CHEB/ -5.064e-02 2.638e-02 3.333e-02 -6.273e-04 / CHEB/ -1.457e-02 -8.141e-03 1.417e-02 2.237e-03 /

1041.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+2.9	+3.3	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+2.8	+3.5	+4.0

Chebyshev(coeffs=[[7.56584,-0.223545,-0.239483,0.0377859],[1.40724,0.908215,-0.228016,-0.0843188],[0.102682,0.419156,0.043696,-0.0439541],[0.00461536,0.116202,0.0612834,0.00108357],[0.00385481,0.0390341,0.0294015,0.00785084],[-0.00906134,0.0306074,0.00892138,-0.00158073]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.07
S298 (cal/mol*K) = -38.69
G298 (kcal/mol) = -58.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(92); C5H6(62), C7H10(92); C2H4(115)+C5H6(62)(+M)=>C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.566e+00 -2.235e-01 -2.395e-01 3.779e-02 / CHEB/ 1.407e+00 9.082e-01 -2.280e-01 -8.432e-02 / CHEB/ 1.027e-01 4.192e-01 4.370e-02 -4.395e-02 / CHEB/ 4.615e-03 1.162e-01 6.128e-02 1.084e-03 / CHEB/ 3.855e-03 3.903e-02 2.940e-02 7.851e-03 / CHEB/ -9.061e-03 3.061e-02 8.921e-03 -1.581e-03 /

1042.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.6	+4.8	+4.6	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+3.0	+4.5	+4.7	+4.4

Chebyshev(coeffs=[[9.36467,-0.372576,-0.198397,0.0498612],[1.01984,0.771077,-0.215508,-0.0534832],[-0.22692,0.443404,0.014126,-0.0297576],[-0.223179,0.133098,0.0531192,-0.00109649],[-0.109435,0.00321175,0.0340972,0.00752501],[-0.0307503,-0.0228666,0.0062095,0.00274385]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.51
S298 (cal/mol*K) = -47.52
G298 (kcal/mol) = -76.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(93); C5H6(62), C7H10(93); C2H4(115)+C5H6(62)(+M)=>C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.365e+00 -3.726e-01 -1.984e-01 4.986e-02 / CHEB/ 1.020e+00 7.711e-01 -2.155e-01 -5.348e-02 / CHEB/ -2.269e-01 4.434e-01 1.413e-02 -2.976e-02 / CHEB/ -2.232e-01 1.331e-01 5.312e-02 -1.096e-03 / CHEB/ -1.094e-01 3.212e-03 3.410e-02 7.525e-03 / CHEB/ -3.075e-02 -2.287e-02 6.210e-03 2.744e-03 /

1043.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-2.7	-0.8	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-3.2	-1.0	+0.1

Chebyshev(coeffs=[[-0.766948,-1.50753,-0.116425,0.0684561],[6.10895,1.13291,-0.0696039,-0.106044],[0.725601,0.243096,0.0358589,-0.0177933],[0.0144816,0.0402732,0.0477828,0.00702352],[-0.0129513,-0.017235,0.0212586,0.00392962],[-0.00102505,-0.0243192,0.00529756,0.0073129]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.00
S298 (cal/mol*K) = -35.62
G298 (kcal/mol) = 9.62

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(54); C5H6(62), C7H10(54); C2H4(115)+C5H6(62)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.669e-01 -1.508e+00 -1.164e-01 6.846e-02 / CHEB/ 6.109e+00 1.133e+00 -6.960e-02 -1.060e-01 / CHEB/ 7.256e-01 2.431e-01 3.586e-02 -1.779e-02 / CHEB/ 1.448e-02 4.027e-02 4.778e-02 7.024e-03 / CHEB/ -1.295e-02 -1.724e-02 2.126e-02 3.930e-03 / CHEB/ -1.025e-03 -2.432e-02 5.298e-03 7.313e-03 /

1044.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.4	+1.5	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-1.7	+1.4	+2.9

Chebyshev(coeffs=[[-2.0526,-0.853776,-0.161205,0.00262662],[10.2436,0.587554,-0.0186359,-0.050047],[0.659082,0.197903,0.078244,-0.00724556],[0.0943482,0.00200538,0.0441627,0.0135936],[0.00390819,-0.0208589,0.00830339,0.0130481],[-0.00262019,-0.00994932,-0.00524757,0.00416762]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.47
S298 (cal/mol*K) = -5.06
G298 (kcal/mol) = 16.98

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(94); C2H4(115), CH2(T)(82); C2H4(115)+C5H6(62)(+M)=>C6H8(94)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.053e+00 -8.538e-01 -1.612e-01 2.627e-03 / CHEB/ 1.024e+01 5.876e-01 -1.864e-02 -5.005e-02 / CHEB/ 6.591e-01 1.979e-01 7.824e-02 -7.246e-03 / CHEB/ 9.435e-02 2.005e-03 4.416e-02 1.359e-02 / CHEB/ 3.908e-03 -2.086e-02 8.303e-03 1.305e-02 / CHEB/ -2.620e-03 -9.949e-03 -5.248e-03 4.168e-03 /

1045.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-3.1	+0.3	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-3.4	+0.2	+2.0

Chebyshev(coeffs=[[-3.75621,-1.5484,-0.237633,0.0279161],[10.2505,1.53337,0.0978204,-0.0798765],[1.50646,0.131867,0.0753022,-0.0107068],[0.103841,-0.243128,-0.00227517,0.0255526],[-0.0982612,-0.0175209,0.0202115,0.0220689],[-0.0326623,0.0842142,0.0111017,-0.00446599]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = -30.04
G298 (kcal/mol) = 5.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(95); C5H6(62), C7H10(95); C2H4(115)+C5H6(62)(+M)=>C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.756e+00 -1.548e+00 -2.376e-01 2.792e-02 / CHEB/ 1.025e+01 1.533e+00 9.782e-02 -7.988e-02 / CHEB/ 1.506e+00 1.319e-01 7.530e-02 -1.071e-02 / CHEB/ 1.038e-01 -2.431e-01 -2.275e-03 2.555e-02 / CHEB/ -9.826e-02 -1.752e-02 2.021e-02 2.207e-02 / CHEB/ -3.266e-02 8.421e-02 1.110e-02 -4.466e-03 /

1046.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-2.9	-0.0	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-3.3	-0.1	+1.6

Chebyshev(coeffs=[[-1.26958,-2.09395,-0.0486102,0.0231086],[7.19431,1.66782,-0.0975049,-0.0288416],[1.42935,0.686798,0.0477066,-0.0506491],[0.187812,-0.120302,0.0208081,-0.0144943],[0.0318143,-0.242646,0.00692727,0.0328377],[0.0269706,-0.0682876,0.0156004,0.0290495]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.51
S298 (cal/mol*K) = -31.14
G298 (kcal/mol) = -3.23

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(96); C5H6(62), C7H10(96); C2H4(115)+C5H6(62)(+M)=>C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.270e+00 -2.094e+00 -4.861e-02 2.311e-02 / CHEB/ 7.194e+00 1.668e+00 -9.750e-02 -2.884e-02 / CHEB/ 1.429e+00 6.868e-01 4.771e-02 -5.065e-02 / CHEB/ 1.878e-01 -1.203e-01 2.081e-02 -1.449e-02 / CHEB/ 3.181e-02 -2.426e-01 6.927e-03 3.284e-02 / CHEB/ 2.697e-02 -6.829e-02 1.560e-02 2.905e-02 /

1047.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-0.6	+1.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.0	+1.5	+2.7

Chebyshev(coeffs=[[0.598154,-1.04107,-0.0302965,-0.0315137],[7.26454,0.757011,-0.213822,0.00630281],[0.793694,0.144012,0.117108,-0.027661],[0.0392102,0.0604771,0.0447112,-0.000471792],[-0.00497342,-0.0286913,0.0182751,0.0178255],[-0.000204122,-0.015741,-5.3603e-05,0.0050639]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.51
S298 (cal/mol*K) = -31.14
G298 (kcal/mol) = -3.23

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(97); C5H6(62), C7H10(97); C2H4(115)+C5H6(62)(+M)=>C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.982e-01 -1.041e+00 -3.030e-02 -3.151e-02 / CHEB/ 7.265e+00 7.570e-01 -2.138e-01 6.303e-03 / CHEB/ 7.937e-01 1.440e-01 1.171e-01 -2.766e-02 / CHEB/ 3.921e-02 6.048e-02 4.471e-02 -4.718e-04 / CHEB/ -4.973e-03 -2.869e-02 1.828e-02 1.783e-02 / CHEB/ -2.041e-04 -1.574e-02 -5.360e-05 5.064e-03 /

1048.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+0.4	+2.2	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-5.0	-0.1	+2.0	+3.0

Chebyshev(coeffs=[[2.7869,-0.880487,-0.0644424,0.00353546],[5.41676,0.381825,-0.139892,-0.0373219],[0.824876,0.298857,0.0323939,-0.0147485],[0.0433823,0.0798695,0.0536876,-0.00322802],[-0.0249706,-0.0103763,0.0325313,0.00601878],[-0.00685978,-0.0208465,0.00571488,0.00712363]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.11
S298 (cal/mol*K) = -30.46
G298 (kcal/mol) = 7.97

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(37); C5H6(62), C7H10(37); C2H4(115)+C5H6(62)(+M)=>C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.787e+00 -8.805e-01 -6.444e-02 3.535e-03 / CHEB/ 5.417e+00 3.818e-01 -1.399e-01 -3.732e-02 / CHEB/ 8.249e-01 2.989e-01 3.239e-02 -1.475e-02 / CHEB/ 4.338e-02 7.987e-02 5.369e-02 -3.228e-03 / CHEB/ -2.497e-02 -1.038e-02 3.253e-02 6.019e-03 / CHEB/ -6.860e-03 -2.085e-02 5.715e-03 7.124e-03 /

1049.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-5.3	-3.5	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-5.8	-3.8	-2.9

Chebyshev(coeffs=[[-3.03655,-0.9028,-0.0725281,0.00223416],[5.51658,0.366669,-0.146844,-0.0379051],[0.732739,0.281621,0.0246141,-0.0170573],[-0.00615232,0.0727951,0.047558,-0.00628782],[-0.0504486,-0.00910277,0.0299755,0.00399612],[-0.0217391,-0.0185758,0.00574416,0.00617135]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.62
S298 (cal/mol*K) = -42.39
G298 (kcal/mol) = 16.25

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(24); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>C7H9(24)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.037e+00 -9.028e-01 -7.253e-02 2.234e-03 / CHEB/ 5.517e+00 3.667e-01 -1.468e-01 -3.791e-02 / CHEB/ 7.327e-01 2.816e-01 2.461e-02 -1.706e-02 / CHEB/ -6.152e-03 7.280e-02 4.756e-02 -6.288e-03 / CHEB/ -5.045e-02 -9.103e-03 2.998e-02 3.996e-03 / CHEB/ -2.174e-02 -1.858e-02 5.744e-03 6.171e-03 /

1050.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+0.5	+1.7	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-3.4	-0.0	+1.4	+2.0

Chebyshev(coeffs=[[3.91057,-0.903235,-0.0499745,0.011],[3.71511,0.250542,-0.163114,-0.035236],[0.485556,0.260187,-0.00459502,-0.0191652],[-0.0286804,0.110029,0.0329088,-0.00858487],[-0.0580843,0.0202308,0.0314976,-0.00134713],[-0.024383,-0.0108106,0.0125814,0.00210221]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.87
S298 (cal/mol*K) = -31.48
G298 (kcal/mol) = -7.49

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(5); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>C7H9(5)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.911e+00 -9.032e-01 -4.997e-02 1.100e-02 / CHEB/ 3.715e+00 2.505e-01 -1.631e-01 -3.524e-02 / CHEB/ 4.856e-01 2.602e-01 -4.595e-03 -1.917e-02 / CHEB/ -2.868e-02 1.100e-01 3.291e-02 -8.585e-03 / CHEB/ -5.808e-02 2.023e-02 3.150e-02 -1.347e-03 / CHEB/ -2.438e-02 -1.081e-02 1.258e-02 2.102e-03 /

1051.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-7.6	-5.3	-4.2
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-8.0	-5.5	-4.3

Chebyshev(coeffs=[[-6.67438,-0.922317,-0.0992755,-0.00351556],[7.63263,0.476174,-0.117295,-0.035531],[0.775786,0.256982,0.042986,-0.0186931],[0.0419814,0.0436929,0.0507076,-0.00251957],[-0.033359,-0.0180628,0.0238625,0.00854305],[-0.0183623,-0.0171206,0.000978093,0.00703472]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.17
S298 (cal/mol*K) = -44.11
G298 (kcal/mol) = 27.31

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(26); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.674e+00 -9.223e-01 -9.928e-02 -3.516e-03 / CHEB/ 7.633e+00 4.762e-01 -1.173e-01 -3.553e-02 / CHEB/ 7.758e-01 2.570e-01 4.299e-02 -1.869e-02 / CHEB/ 4.198e-02 4.369e-02 5.071e-02 -2.520e-03 / CHEB/ -3.336e-02 -1.806e-02 2.386e-02 8.543e-03 / CHEB/ -1.836e-02 -1.712e-02 9.781e-04 7.035e-03 /

1052.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-5.1	-3.1	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-5.5	-3.3	-2.2

Chebyshev(coeffs=[[-3.15905,-0.905573,-0.0760751,0.00113415],[6.13282,0.383243,-0.143295,-0.0375263],[0.817252,0.280076,0.0277791,-0.0171026],[0.0198954,0.0676991,0.0484277,-0.00597289],[-0.0409148,-0.0111011,0.0292286,0.00475044],[-0.0188484,-0.0185582,0.00493194,0.00645669]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.97
S298 (cal/mol*K) = -45.21
G298 (kcal/mol) = 18.44

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(27); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.159e+00 -9.056e-01 -7.608e-02 1.134e-03 / CHEB/ 6.133e+00 3.832e-01 -1.433e-01 -3.753e-02 / CHEB/ 8.173e-01 2.801e-01 2.778e-02 -1.710e-02 / CHEB/ 1.990e-02 6.770e-02 4.843e-02 -5.973e-03 / CHEB/ -4.091e-02 -1.110e-02 2.923e-02 4.750e-03 / CHEB/ -1.885e-02 -1.856e-02 4.932e-03 6.457e-03 /

1053.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+0.7	+1.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+0.1	+1.6	+2.4

Chebyshev(coeffs=[[4.68131,-0.902423,-0.0518987,0.00651026],[3.06476,0.223194,-0.181408,-0.0467318],[0.535008,0.25551,-0.0220352,-0.0295861],[0.126758,0.129607,0.0296693,-0.0114759],[0.0281032,0.0343143,0.0400803,0.00231878],[-0.011755,-0.0172525,0.0227198,0.00914203]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.61
S298 (cal/mol*K) = -50.57
G298 (kcal/mol) = -24.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(28); C5H6(62), C7H10(28); C2H4(115)+C5H6(62)(+M)=>C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.681e+00 -9.024e-01 -5.190e-02 6.510e-03 / CHEB/ 3.065e+00 2.232e-01 -1.814e-01 -4.673e-02 / CHEB/ 5.350e-01 2.555e-01 -2.204e-02 -2.959e-02 / CHEB/ 1.268e-01 1.296e-01 2.967e-02 -1.148e-02 / CHEB/ 2.810e-02 3.431e-02 4.008e-02 2.319e-03 / CHEB/ -1.175e-02 -1.725e-02 2.272e-02 9.142e-03 /

1054.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+0.5	+1.8	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-3.7	-0.0	+1.4	+2.1

Chebyshev(coeffs=[[3.7429,-0.899767,-0.0545951,0.00897943],[3.9317,0.275801,-0.161001,-0.0365588],[0.535244,0.269548,0.00255812,-0.0184264],[-0.0319426,0.102777,0.0376366,-0.00784317],[-0.0627845,0.0113874,0.0320877,-0.000178314],[-0.02632,-0.0144367,0.0110655,0.00323441]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.21
S298 (cal/mol*K) = -44.95
G298 (kcal/mol) = -2.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(29); C5H6(62), C7H10(29); C2H4(115)+C5H6(62)(+M)=>C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.743e+00 -8.998e-01 -5.460e-02 8.979e-03 / CHEB/ 3.932e+00 2.758e-01 -1.610e-01 -3.656e-02 / CHEB/ 5.352e-01 2.695e-01 2.558e-03 -1.843e-02 / CHEB/ -3.194e-02 1.028e-01 3.764e-02 -7.843e-03 / CHEB/ -6.278e-02 1.139e-02 3.209e-02 -1.783e-04 / CHEB/ -2.632e-02 -1.444e-02 1.107e-02 3.234e-03 /

1055.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-1.8	-0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-2.3	-0.3	+0.5

Chebyshev(coeffs=[[0.75805,-0.89856,-0.065198,0.00470709],[5.12331,0.331131,-0.153583,-0.038198],[0.73621,0.28148,0.0169917,-0.0173342],[-0.00016931,0.0845096,0.0448893,-0.00685159],[-0.0507007,-0.00324014,0.031337,0.00235881],[-0.0212932,-0.0181026,0.00768347,0.00530865]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.21
S298 (cal/mol*K) = -44.95
G298 (kcal/mol) = -2.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(30); C5H6(62), C7H10(30); C2H4(115)+C5H6(62)(+M)=>C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.581e-01 -8.986e-01 -6.520e-02 4.707e-03 / CHEB/ 5.123e+00 3.311e-01 -1.536e-01 -3.820e-02 / CHEB/ 7.362e-01 2.815e-01 1.699e-02 -1.733e-02 / CHEB/ -1.693e-04 8.451e-02 4.489e-02 -6.852e-03 / CHEB/ -5.070e-02 -3.240e-03 3.134e-02 2.359e-03 / CHEB/ -2.129e-02 -1.810e-02 7.683e-03 5.309e-03 /

1056.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+0.2	+1.1	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-2.9	-0.4	+0.8	+1.4

Chebyshev(coeffs=[[4.18238,-0.900084,-0.0467773,0.00972444],[2.84156,0.23987,-0.166592,-0.0395499],[0.354695,0.259867,-0.0123302,-0.0239006],[-0.000699818,0.121805,0.0284909,-0.0108725],[-0.0174151,0.030358,0.0321845,-0.00156127],[0.000900032,-0.00916862,0.0158948,0.00325431]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.76
S298 (cal/mol*K) = -43.23
G298 (kcal/mol) = -13.88

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(31); C5H6(62), C7H10(31); C2H4(115)+C5H6(62)(+M)=>C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.182e+00 -9.001e-01 -4.678e-02 9.724e-03 / CHEB/ 2.842e+00 2.399e-01 -1.666e-01 -3.955e-02 / CHEB/ 3.547e-01 2.599e-01 -1.233e-02 -2.390e-02 / CHEB/ -6.998e-04 1.218e-01 2.849e-02 -1.087e-02 / CHEB/ -1.742e-02 3.036e-02 3.218e-02 -1.561e-03 / CHEB/ 9.000e-04 -9.169e-03 1.589e-02 3.254e-03 /

1057.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-1.8	-1.0	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-2.4	-1.3	-0.9

Chebyshev(coeffs=[[1.86375,-0.913274,-0.043351,0.0148499],[3.12602,0.210039,-0.164307,-0.0311221],[0.306379,0.239629,-0.0145049,-0.0189633],[-0.0691531,0.114907,0.0245722,-0.0093011],[-0.0684665,0.0323718,0.028683,-0.00298422],[-0.0291018,-0.00354022,0.0136601,9.0294e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.06
S298 (cal/mol*K) = -53.66
G298 (kcal/mol) = -13.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(32); C5H6(62), C7H10(32); C2H4(115)+C5H6(62)(+M)=>C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.864e+00 -9.133e-01 -4.335e-02 1.485e-02 / CHEB/ 3.126e+00 2.100e-01 -1.643e-01 -3.112e-02 / CHEB/ 3.064e-01 2.396e-01 -1.450e-02 -1.896e-02 / CHEB/ -6.915e-02 1.149e-01 2.457e-02 -9.301e-03 / CHEB/ -6.847e-02 3.237e-02 2.868e-02 -2.984e-03 / CHEB/ -2.910e-02 -3.540e-03 1.366e-02 9.029e-05 /

1058.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-2.5	-1.5	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-3.0	-1.9	-1.4

Chebyshev(coeffs=[[1.14832,-0.909688,-0.0455692,0.0135794],[3.26435,0.22346,-0.164135,-0.0325228],[0.355619,0.246824,-0.0112967,-0.0190202],[-0.0588133,0.113665,0.0274664,-0.00902363],[-0.0668193,0.0283146,0.0298037,-0.00243716],[-0.0285656,-0.00619838,0.013404,0.000760719]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.06
S298 (cal/mol*K) = -55.03
G298 (kcal/mol) = -12.66

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(34); C5H6(62), C7H10(34); C2H4(115)+C5H6(62)(+M)=>C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.148e+00 -9.097e-01 -4.557e-02 1.358e-02 / CHEB/ 3.264e+00 2.235e-01 -1.641e-01 -3.252e-02 / CHEB/ 3.556e-01 2.468e-01 -1.130e-02 -1.902e-02 / CHEB/ -5.881e-02 1.137e-01 2.747e-02 -9.024e-03 / CHEB/ -6.682e-02 2.831e-02 2.980e-02 -2.437e-03 / CHEB/ -2.857e-02 -6.198e-03 1.340e-02 7.607e-04 /

1059.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	-0.5	+0.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-3.8	-1.0	-0.0	+0.4

Chebyshev(coeffs=[[3.37103,-0.905369,-0.0478064,0.01182],[2.86628,0.238019,-0.164192,-0.0348618],[0.294918,0.254952,-0.00848876,-0.0198909],[-0.0726267,0.113452,0.0300568,-0.0092382],[-0.0678534,0.0251638,0.0308753,-0.00202412],[-0.0263652,-0.00844651,0.013311,0.00151879]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.76
S298 (cal/mol*K) = -41.86
G298 (kcal/mol) = -14.29

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(35); C5H6(62), C7H10(35); C2H4(115)+C5H6(62)(+M)=>C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.371e+00 -9.054e-01 -4.781e-02 1.182e-02 / CHEB/ 2.866e+00 2.380e-01 -1.642e-01 -3.486e-02 / CHEB/ 2.949e-01 2.550e-01 -8.489e-03 -1.989e-02 / CHEB/ -7.263e-02 1.135e-01 3.006e-02 -9.238e-03 / CHEB/ -6.785e-02 2.516e-02 3.088e-02 -2.024e-03 / CHEB/ -2.637e-02 -8.447e-03 1.331e-02 1.519e-03 /

1060.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-0.2	+2.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-0.6	+1.9	+3.1

Chebyshev(coeffs=[[0.304005,-0.924098,-0.114671,-0.00341547],[8.18535,0.516656,-0.0984471,-0.0377348],[0.660187,0.240431,0.0500207,-0.0186503],[0.0339793,0.0325956,0.0501078,0.000264425],[-0.0363362,-0.0195403,0.0204692,0.0100923],[-0.0210665,-0.0160278,-0.000833897,0.00675237]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.72
S298 (cal/mol*K) = -29.47
G298 (kcal/mol) = 24.50

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(36); C5H6(62), C7H10(36); C2H4(115)+C5H6(62)(+M)=>C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.040e-01 -9.241e-01 -1.147e-01 -3.415e-03 / CHEB/ 8.185e+00 5.167e-01 -9.845e-02 -3.773e-02 / CHEB/ 6.602e-01 2.404e-01 5.002e-02 -1.865e-02 / CHEB/ 3.398e-02 3.260e-02 5.011e-02 2.644e-04 / CHEB/ -3.634e-02 -1.954e-02 2.047e-02 1.009e-02 / CHEB/ -2.107e-02 -1.603e-02 -8.339e-04 6.752e-03 /

1061.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+1.2	+2.4	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+1.7	+3.1	+3.6

Chebyshev(coeffs=[[4.61258,1.07639,-0.0656512,0.00277195],[3.58801,0.268074,-0.154733,-0.0310496],[0.626289,0.261956,-0.00268366,-0.0186576],[-0.0837797,0.110997,0.0365618,-0.00697802],[-0.108317,0.0179574,0.0319097,-0.0008811],[-0.0254863,-0.0124239,0.0116644,0.00210287]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.03
S298 (cal/mol*K) = -31.47
G298 (kcal/mol) = -6.65

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(38); C5H6(62), C7H10(38); C2H4(115)+C5H6(62)(+M)=>C7H10(38)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.613e+00 1.076e+00 -6.565e-02 2.772e-03 / CHEB/ 3.588e+00 2.681e-01 -1.547e-01 -3.105e-02 / CHEB/ 6.263e-01 2.620e-01 -2.684e-03 -1.866e-02 / CHEB/ -8.378e-02 1.110e-01 3.656e-02 -6.978e-03 / CHEB/ -1.083e-01 1.796e-02 3.191e-02 -8.811e-04 / CHEB/ -2.549e-02 -1.242e-02 1.166e-02 2.103e-03 /

1062.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+2.2	+3.5	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+1.6	+3.2	+3.9

Chebyshev(coeffs=[[5.27275,-0.900505,-0.0535302,0.00947229],[4.18591,0.269883,-0.161547,-0.0362216],[0.591725,0.267465,0.000933059,-0.0185402],[-0.0118622,0.104439,0.0366199,-0.00797158],[-0.0558778,0.0132676,0.0319971,-0.000441769],[-0.0240312,-0.0137322,0.0114074,0.00297192]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.03
S298 (cal/mol*K) = -31.47
G298 (kcal/mol) = -6.65

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(39); C5H6(62), C7H10(39); C2H4(115)+C5H6(62)(+M)=>C7H10(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.273e+00 -9.005e-01 -5.353e-02 9.472e-03 / CHEB/ 4.186e+00 2.699e-01 -1.615e-01 -3.622e-02 / CHEB/ 5.917e-01 2.675e-01 9.331e-04 -1.854e-02 / CHEB/ -1.186e-02 1.044e-01 3.662e-02 -7.972e-03 / CHEB/ -5.588e-02 1.327e-02 3.200e-02 -4.418e-04 / CHEB/ -2.403e-02 -1.373e-02 1.141e-02 2.972e-03 /

1063.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-0.7	+0.1	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-1.7	-0.3	-0.1

Chebyshev(coeffs=[[0.358261,-2.36526,-0.188732,0.0140332],[6.17345,1.40489,-0.194647,-0.0404517],[0.0323721,0.651245,0.108783,-0.0425051],[-0.415091,0.0778857,0.112161,-0.00237308],[-0.165471,-0.0611993,0.0299161,0.0195705],[-0.012129,-0.0314852,-0.0142468,0.00983773]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.20
S298 (cal/mol*K) = 0.37
G298 (kcal/mol) = 8.09

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H5(99); C2H4(115), C3H5(98); C2H4(115)+C5H6(62)(+M)=>C3H5(98)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.583e-01 -2.365e+00 -1.887e-01 1.403e-02 / CHEB/ 6.173e+00 1.405e+00 -1.946e-01 -4.045e-02 / CHEB/ 3.237e-02 6.512e-01 1.088e-01 -4.251e-02 / CHEB/ -4.151e-01 7.789e-02 1.122e-01 -2.373e-03 / CHEB/ -1.655e-01 -6.120e-02 2.992e-02 1.957e-02 / CHEB/ -1.213e-02 -3.149e-02 -1.425e-02 9.838e-03 /

1064.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+0.9	+1.4	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-5.5	-0.2	+0.8	+0.9

Chebyshev(coeffs=[[2.68037,-2.41237,-0.163614,0.0143819],[4.88405,1.27196,-0.222549,-0.0332631],[0.049187,0.687729,0.0813491,-0.0390905],[-0.45284,0.127153,0.110372,-0.0103345],[-0.193462,-0.04172,0.0402343,0.0150805],[-0.0238581,-0.029263,-0.00973478,0.0109264]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(210); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C5H7(210)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.680e+00 -2.412e+00 -1.636e-01 1.438e-02 / CHEB/ 4.884e+00 1.272e+00 -2.225e-01 -3.326e-02 / CHEB/ 4.919e-02 6.877e-01 8.135e-02 -3.909e-02 / CHEB/ -4.528e-01 1.272e-01 1.104e-01 -1.033e-02 / CHEB/ -1.935e-01 -4.172e-02 4.023e-02 1.508e-02 / CHEB/ -2.386e-02 -2.926e-02 -9.735e-03 1.093e-02 /

1065.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-6.6	-4.4	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-7.2	-4.7	-3.6

Chebyshev(coeffs=[[-8.53613,-2.04902,-0.322475,0.0312133],[11.2178,1.58543,-0.00332342,-0.0987724],[0.00281951,0.43076,0.174537,-0.0185428],[-0.228948,-0.0660477,0.0757145,0.0307465],[-0.0706142,-0.0794746,-0.00950112,0.0195575],[0.00778589,-0.0134026,-0.0183664,-0.000317011]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.25
S298 (cal/mol*K) = -7.71
G298 (kcal/mol) = 32.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(101); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(101)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.536e+00 -2.049e+00 -3.225e-01 3.121e-02 / CHEB/ 1.122e+01 1.585e+00 -3.323e-03 -9.877e-02 / CHEB/ 2.820e-03 4.308e-01 1.745e-01 -1.854e-02 / CHEB/ -2.289e-01 -6.605e-02 7.571e-02 3.075e-02 / CHEB/ -7.061e-02 -7.947e-02 -9.501e-03 1.956e-02 / CHEB/ 7.786e-03 -1.340e-02 -1.837e-02 -3.170e-04 /

1066.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-6.6	-4.4	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-7.2	-4.7	-3.6

H298 (kcal/mol) = 30.25
S298 (cal/mol*K) = -7.71
G298 (kcal/mol) = 32.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(102); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(102)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.536e+00 -2.049e+00 -3.225e-01 3.121e-02 / CHEB/ 1.122e+01 1.585e+00 -3.323e-03 -9.877e-02 / CHEB/ 2.820e-03 4.308e-01 1.745e-01 -1.854e-02 / CHEB/ -2.289e-01 -6.605e-02 7.571e-02 3.075e-02 / CHEB/ -7.061e-02 -7.947e-02 -9.501e-03 1.956e-02 / CHEB/ 7.786e-03 -1.340e-02 -1.837e-02 -3.170e-04 /

1067.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-4.5	-2.1	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-14.8	-4.9	-2.2	-1.1

Chebyshev(coeffs=[[-7.33831,-1.76685,-0.401356,0.0239755],[12.7244,1.4822,0.137756,-0.111588],[-0.209349,0.297572,0.173313,0.0107214],[-0.224108,-0.10175,0.0369461,0.0381815],[-0.063031,-0.0611273,-0.0214725,0.00985438],[0.000243693,0.00110876,-0.0123876,-0.00500575]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.40
S298 (cal/mol*K) = 8.30
G298 (kcal/mol) = 35.93

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(103); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C5H7(103)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.338e+00 -1.767e+00 -4.014e-01 2.398e-02 / CHEB/ 1.272e+01 1.482e+00 1.378e-01 -1.116e-01 / CHEB/ -2.093e-01 2.976e-01 1.733e-01 1.072e-02 / CHEB/ -2.241e-01 -1.017e-01 3.695e-02 3.818e-02 / CHEB/ -6.303e-02 -6.113e-02 -2.147e-02 9.854e-03 / CHEB/ 2.437e-04 1.109e-03 -1.239e-02 -5.006e-03 /

1068.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-3.8	-2.0	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.5	-2.3	-1.5

Chebyshev(coeffs=[[-4.63391,-2.2245,-0.256584,0.0243027],[9.43965,1.56786,-0.104149,-0.0720457],[0.0955354,0.53755,0.153559,-0.0356933],[-0.27999,-0.0108712,0.0996425,0.0169642],[-0.0987141,-0.0813264,0.00703214,0.0228105],[0.00638829,-0.0253466,-0.0190956,0.00492097]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.05
S298 (cal/mol*K) = -8.81
G298 (kcal/mol) = 23.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(104); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(104)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.634e+00 -2.224e+00 -2.566e-01 2.430e-02 / CHEB/ 9.440e+00 1.568e+00 -1.041e-01 -7.205e-02 / CHEB/ 9.554e-02 5.376e-01 1.536e-01 -3.569e-02 / CHEB/ -2.800e-01 -1.087e-02 9.964e-02 1.696e-02 / CHEB/ -9.871e-02 -8.133e-02 7.032e-03 2.281e-02 / CHEB/ 6.388e-03 -2.535e-02 -1.910e-02 4.921e-03 /

1069.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-3.8	-2.0	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.5	-2.3	-1.5

H298 (kcal/mol) = 21.05
S298 (cal/mol*K) = -8.81
G298 (kcal/mol) = 23.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(105); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(105)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.634e+00 -2.224e+00 -2.566e-01 2.430e-02 / CHEB/ 9.440e+00 1.568e+00 -1.041e-01 -7.205e-02 / CHEB/ 9.554e-02 5.376e-01 1.536e-01 -3.569e-02 / CHEB/ -2.800e-01 -1.087e-02 9.964e-02 1.696e-02 / CHEB/ -9.871e-02 -8.133e-02 7.032e-03 2.281e-02 / CHEB/ 6.388e-03 -2.535e-02 -1.910e-02 4.921e-03 /

1070.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-6.0	-3.7	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-6.6	-3.9	-2.8

Chebyshev(coeffs=[[-8.30157,-1.9947,-0.340102,0.0314224],[11.7886,1.57469,0.0258438,-0.103883],[0.00940139,0.401751,0.177071,-0.012863],[-0.210087,-0.0768093,0.0679264,0.0334717],[-0.0625276,-0.0766862,-0.0129903,0.0178968],[0.00834028,-0.0100359,-0.0174994,-0.00160443]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.45
S298 (cal/mol*K) = -8.13
G298 (kcal/mol) = 34.87

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(106); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(106)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.302e+00 -1.995e+00 -3.401e-01 3.142e-02 / CHEB/ 1.179e+01 1.575e+00 2.584e-02 -1.039e-01 / CHEB/ 9.401e-03 4.018e-01 1.771e-01 -1.286e-02 / CHEB/ -2.101e-01 -7.681e-02 6.793e-02 3.347e-02 / CHEB/ -6.253e-02 -7.669e-02 -1.299e-02 1.790e-02 / CHEB/ 8.340e-03 -1.004e-02 -1.750e-02 -1.604e-03 /

1071.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-6.0	-3.7	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-6.6	-3.9	-2.8

H298 (kcal/mol) = 32.45
S298 (cal/mol*K) = -8.13
G298 (kcal/mol) = 34.87

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(107); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(107)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.302e+00 -1.995e+00 -3.401e-01 3.142e-02 / CHEB/ 1.179e+01 1.575e+00 2.584e-02 -1.039e-01 / CHEB/ 9.401e-03 4.018e-01 1.771e-01 -1.286e-02 / CHEB/ -2.101e-01 -7.681e-02 6.793e-02 3.347e-02 / CHEB/ -6.253e-02 -7.669e-02 -1.299e-02 1.790e-02 / CHEB/ 8.340e-03 -1.004e-02 -1.750e-02 -1.604e-03 /

1072.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+2.2	+3.8	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+1.4	+3.5	+4.2

Chebyshev(coeffs=[[4.69749,-2.18995,-0.116908,-0.00657655],[4.81532,1.37553,-0.194005,-0.0628941],[0.932316,0.701913,0.0507275,-0.0169004],[-0.0295413,0.0380715,0.0821994,0.0118746],[-0.117202,-0.170832,0.0329125,0.0162017],[-0.044976,-0.0991855,-0.00676129,0.00422297]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.86
S298 (cal/mol*K) = -34.65
G298 (kcal/mol) = -25.53

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(108); C5H6(62), C7H10(108); C2H4(115)+C5H6(62)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.697e+00 -2.190e+00 -1.169e-01 -6.577e-03 / CHEB/ 4.815e+00 1.376e+00 -1.940e-01 -6.289e-02 / CHEB/ 9.323e-01 7.019e-01 5.073e-02 -1.690e-02 / CHEB/ -2.954e-02 3.807e-02 8.220e-02 1.187e-02 / CHEB/ -1.172e-01 -1.708e-01 3.291e-02 1.620e-02 / CHEB/ -4.498e-02 -9.919e-02 -6.761e-03 4.223e-03 /

1073.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-1.1	-0.1	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-2.1	-0.5	-0.2

Chebyshev(coeffs=[[-0.163887,-2.37647,-0.182488,0.0137565],[6.44745,1.37664,-0.202014,-0.0383463],[0.166366,0.661595,0.102758,-0.0419972],[-0.387771,0.0888139,0.112232,-0.00439339],[-0.159442,-0.0573244,0.032384,0.0187044],[-0.0101767,-0.0312927,-0.0133281,0.0101835]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.77
S298 (cal/mol*K) = -24.17
G298 (kcal/mol) = 7.97

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(109); C5H6(62), C7H10(109); C2H4(115)+C5H6(62)(+M)=>C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.639e-01 -2.376e+00 -1.825e-01 1.376e-02 / CHEB/ 6.447e+00 1.377e+00 -2.020e-01 -3.835e-02 / CHEB/ 1.664e-01 6.616e-01 1.028e-01 -4.200e-02 / CHEB/ -3.878e-01 8.881e-02 1.122e-01 -4.393e-03 / CHEB/ -1.594e-01 -5.732e-02 3.238e-02 1.870e-02 / CHEB/ -1.018e-02 -3.129e-02 -1.333e-02 1.018e-02 /

1074.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-6.8	-5.6	-5.4
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-7.8	-6.0	-5.6

Chebyshev(coeffs=[[-6.23404,-2.35694,-0.193321,0.0143742],[7.03826,1.4238,-0.189094,-0.0421541],[0.170666,0.643454,0.112943,-0.0427201],[-0.365361,0.0702761,0.111941,-0.000900288],[-0.146974,-0.0637378,0.0281445,0.0201225],[-0.00558305,-0.0315122,-0.0148529,0.00956326]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.42
S298 (cal/mol*K) = -30.28
G298 (kcal/mol) = -3.40

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(110); C5H6(62), C7H10(110); C2H4(115)+C5H6(62)(+M)=>C7H10(110)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.234e+00 -2.357e+00 -1.933e-01 1.437e-02 / CHEB/ 7.038e+00 1.424e+00 -1.891e-01 -4.215e-02 / CHEB/ 1.707e-01 6.435e-01 1.129e-01 -4.272e-02 / CHEB/ -3.654e-01 7.028e-02 1.119e-01 -9.003e-04 / CHEB/ -1.470e-01 -6.374e-02 2.814e-02 2.012e-02 / CHEB/ -5.583e-03 -3.151e-02 -1.485e-02 9.563e-03 /

1075.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-2.3	-1.2	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-3.4	-1.8	-1.4

Chebyshev(coeffs=[[-1.26666,-2.44662,-0.19288,0.00174454],[6.24156,1.32227,-0.200125,-0.0252663],[0.26952,0.665097,0.0757695,-0.0448372],[-0.372448,0.119543,0.108542,-0.0102051],[-0.168069,-0.0408975,0.0401828,0.0165726],[-0.0160016,-0.0278763,-0.00897456,0.0115251]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.97
S298 (cal/mol*K) = -24.59
G298 (kcal/mol) = 10.30

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(111); C5H6(62), C7H10(111); C2H4(115)+C5H6(62)(+M)=>C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.267e+00 -2.447e+00 -1.929e-01 1.745e-03 / CHEB/ 6.242e+00 1.322e+00 -2.001e-01 -2.527e-02 / CHEB/ 2.695e-01 6.651e-01 7.577e-02 -4.484e-02 / CHEB/ -3.724e-01 1.195e-01 1.085e-01 -1.021e-02 / CHEB/ -1.681e-01 -4.090e-02 4.018e-02 1.657e-02 / CHEB/ -1.600e-02 -2.788e-02 -8.975e-03 1.153e-02 /

1076.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-0.3	+0.9	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-1.0	+0.6	+1.2

Chebyshev(coeffs=[[1.44218,-2.00427,-0.259776,0.0237897],[5.61041,1.32743,-0.0929478,-0.084891],[0.458082,0.512023,0.161423,-0.0111113],[-0.242303,0.0361117,0.0891811,0.0220236],[-0.0930274,-0.0461657,0.0135844,0.0139182],[0.0387082,-0.0102382,-0.00650527,0.00214551]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.96
S298 (cal/mol*K) = -28.33
G298 (kcal/mol) = 2.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(112); C5H6(62), C7H10(112); C2H4(115)+C5H6(62)(+M)=>C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.442e+00 -2.004e+00 -2.598e-01 2.379e-02 / CHEB/ 5.610e+00 1.327e+00 -9.295e-02 -8.489e-02 / CHEB/ 4.581e-01 5.120e-01 1.614e-01 -1.111e-02 / CHEB/ -2.423e-01 3.611e-02 8.918e-02 2.202e-02 / CHEB/ -9.303e-02 -4.617e-02 1.358e-02 1.392e-02 / CHEB/ 3.871e-02 -1.024e-02 -6.505e-03 2.146e-03 /

1077.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	-2.0	-0.6	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-2.9	-0.9	+0.4

Chebyshev(coeffs=[[1.02679,-2.03036,-0.21453,0.0256022],[4.35028,1.24274,-0.103161,-0.0820818],[0.745206,0.581424,0.127481,-0.00793041],[0.0791087,0.147788,0.0856691,0.0215139],[0.0749759,0.00112544,0.0343461,0.00970723],[0.100091,-0.0310289,0.00903525,0.000572777]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.55
S298 (cal/mol*K) = -33.31
G298 (kcal/mol) = -4.62

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(113); C5H6(62), C7H10(113); C2H4(115)+C5H6(62)(+M)=>C7H10(113)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.027e+00 -2.030e+00 -2.145e-01 2.560e-02 / CHEB/ 4.350e+00 1.243e+00 -1.032e-01 -8.208e-02 / CHEB/ 7.452e-01 5.814e-01 1.275e-01 -7.930e-03 / CHEB/ 7.911e-02 1.478e-01 8.567e-02 2.151e-02 / CHEB/ 7.498e-02 1.125e-03 3.435e-02 9.707e-03 / CHEB/ 1.001e-01 -3.103e-02 9.035e-03 5.728e-04 /

1078.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	-1.8	-1.0	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-2.9	-1.6	-1.3

Chebyshev(coeffs=[[0.121719,-2.43228,-0.144448,0.0159202],[4.94177,1.1845,-0.232811,-0.0305807],[0.294909,0.710144,0.0627778,-0.035476],[-0.382605,0.16826,0.107972,-0.0138461],[-0.185969,-0.0269021,0.0472771,0.0112704],[-0.0222003,-0.0291027,-0.0062301,0.011129]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.82
S298 (cal/mol*K) = -29.53
G298 (kcal/mol) = -8.02

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(114); C5H6(62), C7H10(114); C2H4(115)+C5H6(62)(+M)=>C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.217e-01 -2.432e+00 -1.444e-01 1.592e-02 / CHEB/ 4.942e+00 1.185e+00 -2.328e-01 -3.058e-02 / CHEB/ 2.949e-01 7.101e-01 6.278e-02 -3.548e-02 / CHEB/ -3.826e-01 1.683e-01 1.080e-01 -1.385e-02 / CHEB/ -1.860e-01 -2.690e-02 4.728e-02 1.127e-02 / CHEB/ -2.220e-02 -2.910e-02 -6.230e-03 1.113e-02 /

1079.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+2.7	+3.8	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+1.9	+3.3	+3.6

Chebyshev(coeffs=[[5.11486,-2.05473,-0.2491,0.0260847],[4.48694,1.17817,-0.139545,-0.0863788],[0.52365,0.509874,0.107866,-0.0194277],[-0.196053,0.0592193,0.0810268,0.012249],[-0.16913,-0.0553902,0.0245184,0.0110646],[-0.056361,-0.0349735,-0.00522347,0.00297571]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.22
S298 (cal/mol*K) = -30.70
G298 (kcal/mol) = -1.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(115); C5H6(62), C7H10(115); C2H4(115)+C5H6(62)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.115e+00 -2.055e+00 -2.491e-01 2.608e-02 / CHEB/ 4.487e+00 1.178e+00 -1.395e-01 -8.638e-02 / CHEB/ 5.236e-01 5.099e-01 1.079e-01 -1.943e-02 / CHEB/ -1.961e-01 5.922e-02 8.103e-02 1.225e-02 / CHEB/ -1.691e-01 -5.539e-02 2.452e-02 1.106e-02 / CHEB/ -5.636e-02 -3.497e-02 -5.223e-03 2.976e-03 /

1080.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-3.1	-1.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-4.0	-1.3	+0.6

Chebyshev(coeffs=[[-0.691081,-2.29333,-0.100878,0.0194179],[5.86054,1.44323,-0.14668,-0.0237338],[0.916211,0.854137,0.117753,-0.0313494],[0.11794,0.20096,0.120783,-0.0117216],[0.170043,-0.0778998,0.0278937,0.0110096],[0.196634,-0.127665,-0.0397358,0.0096411]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.16
S298 (cal/mol*K) = -29.43
G298 (kcal/mol) = -6.39

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(116); C5H6(62), C7H10(116); C2H4(115)+C5H6(62)(+M)=>C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.911e-01 -2.293e+00 -1.009e-01 1.942e-02 / CHEB/ 5.861e+00 1.443e+00 -1.467e-01 -2.373e-02 / CHEB/ 9.162e-01 8.541e-01 1.178e-01 -3.135e-02 / CHEB/ 1.179e-01 2.010e-01 1.208e-01 -1.172e-02 / CHEB/ 1.700e-01 -7.790e-02 2.789e-02 1.101e-02 / CHEB/ 1.966e-01 -1.277e-01 -3.974e-02 9.641e-03 /

1081.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-2.0	-0.7	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-2.8	-1.0	+0.2

Chebyshev(coeffs=[[0.796391,-1.98689,-0.232491,0.0337688],[4.59972,1.28076,-0.0911234,-0.0783152],[0.666366,0.563374,0.162665,-0.0105349],[-0.019078,0.113228,0.104214,0.0200338],[0.0371771,-0.00769734,0.0255541,0.00952046],[0.120317,-0.0122172,-0.00754725,-0.00311543]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.02
S298 (cal/mol*K) = -33.71
G298 (kcal/mol) = -4.97

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(117); C5H6(62), C7H10(117); C2H4(115)+C5H6(62)(+M)=>C7H10(117)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.964e-01 -1.987e+00 -2.325e-01 3.377e-02 / CHEB/ 4.600e+00 1.281e+00 -9.112e-02 -7.832e-02 / CHEB/ 6.664e-01 5.634e-01 1.627e-01 -1.053e-02 / CHEB/ -1.908e-02 1.132e-01 1.042e-01 2.003e-02 / CHEB/ 3.718e-02 -7.697e-03 2.555e-02 9.520e-03 / CHEB/ 1.203e-01 -1.222e-02 -7.547e-03 -3.115e-03 /

1082.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-0.9	+1.0	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-1.6	+0.8	+2.4

Chebyshev(coeffs=[[2.0428,-1.91953,-0.229136,0.0333285],[4.93612,1.33342,-0.0674112,-0.0802312],[0.94387,0.547024,0.169454,-0.0103781],[0.215516,0.0877287,0.0931898,0.016556],[0.128525,-0.0402839,0.00881596,0.00555274],[0.0778606,-0.0703981,-0.025451,-0.00208555]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.16
S298 (cal/mol*K) = -29.43
G298 (kcal/mol) = -6.39

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(118); C5H6(62), C7H10(118); C2H4(115)+C5H6(62)(+M)=>C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.043e+00 -1.920e+00 -2.291e-01 3.333e-02 / CHEB/ 4.936e+00 1.333e+00 -6.741e-02 -8.023e-02 / CHEB/ 9.439e-01 5.470e-01 1.695e-01 -1.038e-02 / CHEB/ 2.155e-01 8.773e-02 9.319e-02 1.656e-02 / CHEB/ 1.285e-01 -4.028e-02 8.816e-03 5.553e-03 / CHEB/ 7.786e-02 -7.040e-02 -2.545e-02 -2.086e-03 /

1083.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-0.5	+1.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-1.0	+1.3	+2.5

Chebyshev(coeffs=[[2.01421,-1.57542,-0.0560895,0.0361783],[5.31974,1.09958,-0.202528,-0.0884577],[1.01009,0.383645,0.0713542,-0.0225398],[0.098055,0.0106469,0.0650507,0.00565487],[-0.0142705,-0.0644419,0.0245004,0.0139307],[0.0273652,-0.0443991,-0.00211351,0.00968022]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.82
S298 (cal/mol*K) = -34.13
G298 (kcal/mol) = -2.65

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(119); C5H6(62), C7H10(119); C2H4(115)+C5H6(62)(+M)=>C7H10(119)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.014e+00 -1.575e+00 -5.609e-02 3.618e-02 / CHEB/ 5.320e+00 1.100e+00 -2.025e-01 -8.846e-02 / CHEB/ 1.010e+00 3.836e-01 7.135e-02 -2.254e-02 / CHEB/ 9.806e-02 1.065e-02 6.505e-02 5.655e-03 / CHEB/ -1.427e-02 -6.444e-02 2.450e-02 1.393e-02 / CHEB/ 2.737e-02 -4.440e-02 -2.114e-03 9.680e-03 /

1084.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-0.7	+1.5	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.2	+1.3	+2.6

Chebyshev(coeffs=[[1.14381,-1.59319,-0.134251,-0.00378555],[6.32665,1.23271,-0.105427,-0.0504899],[1.0577,0.308624,0.0795038,-0.0097861],[0.0990836,-0.0201345,0.0624344,0.00432887],[0.00496907,-0.0561426,0.0248487,0.0150147],[-0.00238004,-0.0295433,-0.00385142,0.00945066]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.76
S298 (cal/mol*K) = -28.75
G298 (kcal/mol) = 4.81

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(120); C5H6(62), C7H10(120); C2H4(115)+C5H6(62)(+M)=>C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.144e+00 -1.593e+00 -1.343e-01 -3.786e-03 / CHEB/ 6.327e+00 1.233e+00 -1.054e-01 -5.049e-02 / CHEB/ 1.058e+00 3.086e-01 7.950e-02 -9.786e-03 / CHEB/ 9.908e-02 -2.013e-02 6.243e-02 4.329e-03 / CHEB/ 4.969e-03 -5.614e-02 2.485e-02 1.501e-02 / CHEB/ -2.380e-03 -2.954e-02 -3.851e-03 9.451e-03 /

1085.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-2.8	-2.4	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-4.1	-3.1	-3.2

Chebyshev(coeffs=[[-0.188244,-2.51497,-0.129868,0.0205567],[3.76138,1.00772,-0.246059,-0.0240446],[0.114558,0.673639,0.0298633,-0.0313756],[-0.422728,0.213034,0.0938926,-0.0176592],[-0.232037,0.0105357,0.0534442,0.00479883],[-0.0307402,-0.0168414,0.00120043,0.00958704]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -88.08
S298 (cal/mol*K) = -55.48
G298 (kcal/mol) = -71.55

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(121); C5H6(62), C7H10(121); C2H4(115)+C5H6(62)(+M)=>C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.882e-01 -2.515e+00 -1.299e-01 2.056e-02 / CHEB/ 3.761e+00 1.008e+00 -2.461e-01 -2.404e-02 / CHEB/ 1.146e-01 6.736e-01 2.986e-02 -3.138e-02 / CHEB/ -4.227e-01 2.130e-01 9.389e-02 -1.766e-02 / CHEB/ -2.320e-01 1.054e-02 5.344e-02 4.799e-03 / CHEB/ -3.074e-02 -1.684e-02 1.200e-03 9.587e-03 /

1086.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+2.6	+3.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-4.9	+1.6	+3.2	+3.7

Chebyshev(coeffs=[[3.52672,-2.37698,-0.174372,0.0133249],[6.46598,1.35672,-0.207538,-0.0369537],[0.278623,0.676958,0.0990438,-0.0409573],[-0.366342,0.097259,0.113115,-0.00588443],[-0.151309,-0.0567133,0.0344734,0.0181308],[-0.00971891,-0.0324002,-0.0129006,0.0105563]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.22
S298 (cal/mol*K) = -12.75
G298 (kcal/mol) = 3.58

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(122); C5H6(62), C7H10(122); C2H4(115)+C5H6(62)(+M)=>C7H10(122)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.527e+00 -2.377e+00 -1.744e-01 1.332e-02 / CHEB/ 6.466e+00 1.357e+00 -2.075e-01 -3.695e-02 / CHEB/ 2.786e-01 6.770e-01 9.904e-02 -4.096e-02 / CHEB/ -3.663e-01 9.726e-02 1.131e-01 -5.884e-03 / CHEB/ -1.513e-01 -5.671e-02 3.447e-02 1.813e-02 / CHEB/ -9.719e-03 -3.240e-02 -1.290e-02 1.056e-02 /

1087.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+3.4	+4.5	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+2.6	+4.1	+4.6

Chebyshev(coeffs=[[5.00178,-2.02194,-0.260523,0.0224927],[5.58659,1.29967,-0.111322,-0.088491],[0.449146,0.496684,0.149307,-0.0156216],[-0.295195,0.0178047,0.0799887,0.0186647],[-0.147099,-0.0647391,0.00493366,0.0110246],[-0.00547196,-0.0243183,-0.0138978,-0.000270359]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.77
S298 (cal/mol*K) = -15.38
G298 (kcal/mol) = -2.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(123); C5H6(62), C7H10(123); C2H4(115)+C5H6(62)(+M)=>C7H10(123)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.002e+00 -2.022e+00 -2.605e-01 2.249e-02 / CHEB/ 5.587e+00 1.300e+00 -1.113e-01 -8.849e-02 / CHEB/ 4.491e-01 4.967e-01 1.493e-01 -1.562e-02 / CHEB/ -2.952e-01 1.780e-02 7.999e-02 1.866e-02 / CHEB/ -1.471e-01 -6.474e-02 4.934e-03 1.102e-02 / CHEB/ -5.472e-03 -2.432e-02 -1.390e-02 -2.704e-04 /

1088.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+0.7	+1.8	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-0.3	+1.3	+1.8

Chebyshev(coeffs=[[1.65581,-2.38988,-0.175091,0.0137349],[6.45891,1.3392,-0.210415,-0.0361599],[0.25797,0.673108,0.0950036,-0.0410823],[-0.374422,0.102764,0.111919,-0.00677915],[-0.159153,-0.0519949,0.0353923,0.0174818],[-0.0105287,-0.0307842,-0.0120823,0.0105395]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.04
S298 (cal/mol*K) = -10.99
G298 (kcal/mol) = 3.23

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(124); C5H6(62), C7H10(124); C2H4(115)+C5H6(62)(+M)=>C7H10(124)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.656e+00 -2.390e+00 -1.751e-01 1.373e-02 / CHEB/ 6.459e+00 1.339e+00 -2.104e-01 -3.616e-02 / CHEB/ 2.580e-01 6.731e-01 9.500e-02 -4.108e-02 / CHEB/ -3.744e-01 1.028e-01 1.119e-01 -6.779e-03 / CHEB/ -1.592e-01 -5.199e-02 3.539e-02 1.748e-02 / CHEB/ -1.053e-02 -3.078e-02 -1.208e-02 1.054e-02 /

1089.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-0.6	+0.3	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-1.7	-0.2	+0.0

Chebyshev(coeffs=[[0.642394,-2.39712,-0.171222,0.0138606],[5.87311,1.31782,-0.214642,-0.0351318],[0.175636,0.678605,0.0906432,-0.0404804],[-0.405139,0.110575,0.111557,-0.00800651],[-0.171817,-0.0488374,0.037002,0.0167461],[-0.0153267,-0.030384,-0.0113528,0.0106966]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.51
S298 (cal/mol*K) = -11.42
G298 (kcal/mol) = 0.89

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(125); C5H6(62), C7H10(125); C2H4(115)+C5H6(62)(+M)=>C7H10(125)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.424e-01 -2.397e+00 -1.712e-01 1.386e-02 / CHEB/ 5.873e+00 1.318e+00 -2.146e-01 -3.513e-02 / CHEB/ 1.756e-01 6.786e-01 9.064e-02 -4.048e-02 / CHEB/ -4.051e-01 1.106e-01 1.116e-01 -8.007e-03 / CHEB/ -1.718e-01 -4.884e-02 3.700e-02 1.675e-02 / CHEB/ -1.533e-02 -3.038e-02 -1.135e-02 1.070e-02 /

1090.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-3.7	-2.6	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-4.7	-3.0	-2.6

Chebyshev(coeffs=[[-2.9507,-2.37299,-0.184428,0.013818],[6.74043,1.38574,-0.199749,-0.0389743],[0.208025,0.658423,0.104678,-0.0421816],[-0.37177,0.0853409,0.112241,-0.00376459],[-0.153168,-0.0585856,0.0316101,0.0189888],[-0.00789364,-0.0313741,-0.0136258,0.01008]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.34
S298 (cal/mol*K) = -33.81
G298 (kcal/mol) = 8.74

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(126); C5H6(62), C7H10(126); C2H4(115)+C5H6(62)(+M)=>C7H10(126)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.951e+00 -2.373e+00 -1.844e-01 1.382e-02 / CHEB/ 6.740e+00 1.386e+00 -1.997e-01 -3.897e-02 / CHEB/ 2.080e-01 6.584e-01 1.047e-01 -4.218e-02 / CHEB/ -3.718e-01 8.534e-02 1.122e-01 -3.765e-03 / CHEB/ -1.532e-01 -5.859e-02 3.161e-02 1.899e-02 / CHEB/ -7.894e-03 -3.137e-02 -1.363e-02 1.008e-02 /

1091.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-2.3	-1.2	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-3.3	-1.7	-1.2

Chebyshev(coeffs=[[-1.57593,-2.37481,-0.183413,0.0137831],[6.72849,1.38101,-0.200937,-0.0386426],[0.217427,0.660087,0.103679,-0.042088],[-0.370963,0.0871486,0.11224,-0.00409356],[-0.15341,-0.0579313,0.0320141,0.0188418],[-0.00801743,-0.0313324,-0.0134715,0.0101345]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.75
S298 (cal/mol*K) = -30.23
G298 (kcal/mol) = 11.76

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(127); C5H6(62), C7H10(127); C2H4(115)+C5H6(62)(+M)=>C7H10(127)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.576e+00 -2.375e+00 -1.834e-01 1.378e-02 / CHEB/ 6.728e+00 1.381e+00 -2.009e-01 -3.864e-02 / CHEB/ 2.174e-01 6.601e-01 1.037e-01 -4.209e-02 / CHEB/ -3.710e-01 8.715e-02 1.122e-01 -4.094e-03 / CHEB/ -1.534e-01 -5.793e-02 3.201e-02 1.884e-02 / CHEB/ -8.017e-03 -3.133e-02 -1.347e-02 1.013e-02 /

1092.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+2.8	+3.2	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+1.8	+2.7	+2.6

Chebyshev(coeffs=[[5.93436,-2.14975,-0.232545,0.0321004],[3.05204,1.07589,-0.17668,-0.0800162],[0.237674,0.515206,0.076558,-0.0259817],[-0.261253,0.0885961,0.0765871,0.00821497],[-0.205239,-0.0442463,0.0292775,0.010261],[-0.0837521,-0.038738,-0.00268781,0.0024417]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.13
S298 (cal/mol*K) = -32.85
G298 (kcal/mol) = -17.34

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(128); C5H6(62), C7H10(128); C2H4(115)+C5H6(62)(+M)=>C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.934e+00 -2.150e+00 -2.325e-01 3.210e-02 / CHEB/ 3.052e+00 1.076e+00 -1.767e-01 -8.002e-02 / CHEB/ 2.377e-01 5.152e-01 7.656e-02 -2.598e-02 / CHEB/ -2.613e-01 8.860e-02 7.659e-02 8.215e-03 / CHEB/ -2.052e-01 -4.425e-02 2.928e-02 1.026e-02 / CHEB/ -8.375e-02 -3.874e-02 -2.688e-03 2.442e-03 /

1093.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-2.1	+0.7	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-2.4	+0.6	+2.0

Chebyshev(coeffs=[[-3.88655,-0.838906,-0.235432,-0.0142468],[11.6446,0.571609,0.0623903,-0.0423888],[0.296086,0.169008,0.0644086,-0.00460332],[0.0178652,-0.00763277,0.0291317,0.0121968],[-0.0300149,-0.0186912,0.00405921,0.0097445],[-0.0216645,-0.00829516,-0.00438598,0.00277844]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.09
S298 (cal/mol*K) = 1.72
G298 (kcal/mol) = 33.58

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H5(99); C2H4(115), C3H5(129); C2H4(115)+C5H6(62)(+M)=>C3H5(129)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.887e+00 -8.389e-01 -2.354e-01 -1.425e-02 / CHEB/ 1.164e+01 5.716e-01 6.239e-02 -4.239e-02 / CHEB/ 2.961e-01 1.690e-01 6.441e-02 -4.603e-03 / CHEB/ 1.787e-02 -7.633e-03 2.913e-02 1.220e-02 / CHEB/ -3.001e-02 -1.869e-02 4.059e-03 9.744e-03 / CHEB/ -2.166e-02 -8.295e-03 -4.386e-03 2.778e-03 /

1094.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-1.2	+0.8	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-1.6	+0.6	+1.7

Chebyshev(coeffs=[[0.387293,-1.11612,-0.204294,-0.0433947],[6.60997,0.687337,0.00102628,0.00438155],[0.732453,0.236032,0.0320285,-0.0132637],[0.0323617,0.0286682,0.0370696,-0.00985714],[-0.030891,-0.0143567,0.0250633,0.00613171],[-0.00806472,-0.0122612,0.0051108,0.00842629]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.28
S298 (cal/mol*K) = -21.20
G298 (kcal/mol) = 16.60

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(130); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(130)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.873e-01 -1.116e+00 -2.043e-01 -4.339e-02 / CHEB/ 6.610e+00 6.873e-01 1.026e-03 4.382e-03 / CHEB/ 7.325e-01 2.360e-01 3.203e-02 -1.326e-02 / CHEB/ 3.236e-02 2.867e-02 3.707e-02 -9.857e-03 / CHEB/ -3.089e-02 -1.436e-02 2.506e-02 6.132e-03 / CHEB/ -8.065e-03 -1.226e-02 5.111e-03 8.426e-03 /

1095.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-4.0	-0.9	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-4.3	-1.0	+0.6

Chebyshev(coeffs=[[-5.74731,-0.870422,-0.22972,-0.0145889],[11.7922,0.590648,0.0508723,-0.0405257],[0.484556,0.175319,0.0637186,-0.00688416],[0.0673957,-0.00559398,0.0315507,0.0108485],[-0.014683,-0.0191811,0.00566491,0.0102363],[-0.0153241,-0.00890953,-0.00417597,0.00342597]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.88
S298 (cal/mol*K) = -11.63
G298 (kcal/mol) = 36.34

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(131); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(131)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.747e+00 -8.704e-01 -2.297e-01 -1.459e-02 / CHEB/ 1.179e+01 5.906e-01 5.087e-02 -4.053e-02 / CHEB/ 4.846e-01 1.753e-01 6.372e-02 -6.884e-03 / CHEB/ 6.740e-02 -5.594e-03 3.155e-02 1.085e-02 / CHEB/ -1.468e-02 -1.918e-02 5.665e-03 1.024e-02 / CHEB/ -1.532e-02 -8.910e-03 -4.176e-03 3.426e-03 /

1096.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.4	-2.1	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-5.7	-2.2	-0.4

Chebyshev(coeffs=[[-7.69067,-0.8315,-0.236699,-0.0143211],[12.6982,0.567063,0.0650566,-0.042617],[0.492083,0.167517,0.0645077,-0.00407976],[0.0767604,-0.00807576,0.0285435,0.0124719],[-0.0102433,-0.0185588,0.00370687,0.00961572],[-0.014916,-0.00814786,-0.00441837,0.0026301]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.88
S298 (cal/mol*K) = -14.33
G298 (kcal/mol) = 40.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(132); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(132)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.691e+00 -8.315e-01 -2.367e-01 -1.432e-02 / CHEB/ 1.270e+01 5.671e-01 6.506e-02 -4.262e-02 / CHEB/ 4.921e-01 1.675e-01 6.451e-02 -4.080e-03 / CHEB/ 7.676e-02 -8.076e-03 2.854e-02 1.247e-02 / CHEB/ -1.024e-02 -1.856e-02 3.707e-03 9.616e-03 / CHEB/ -1.492e-02 -8.148e-03 -4.418e-03 2.630e-03 /

1097.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-3.1	+0.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-3.3	+0.4	+2.1

Chebyshev(coeffs=[[-6.64274,-0.707192,-0.251092,-0.0223771],[14.5341,0.486645,0.104114,-0.036747],[0.262725,0.143049,0.0628852,0.00386913],[0.0244495,-0.01399,0.0185,0.0149009],[-0.0244255,-0.0154662,-0.000761118,0.00689001],[-0.02269,-0.0056298,-0.00424175,0.000442545]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.03
S298 (cal/mol*K) = 1.68
G298 (kcal/mol) = 43.53

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(133); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C5H7(133)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.643e+00 -7.072e-01 -2.511e-01 -2.238e-02 / CHEB/ 1.453e+01 4.866e-01 1.041e-01 -3.675e-02 / CHEB/ 2.627e-01 1.430e-01 6.289e-02 3.869e-03 / CHEB/ 2.445e-02 -1.399e-02 1.850e-02 1.490e-02 / CHEB/ -2.443e-02 -1.547e-02 -7.611e-04 6.890e-03 / CHEB/ -2.269e-02 -5.630e-03 -4.242e-03 4.425e-04 /

1098.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-2.6	+0.3	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-2.9	+0.2	+1.8

Chebyshev(coeffs=[[-3.53484,-0.939661,-0.213171,-0.0191462],[10.5992,0.6398,0.0285924,-0.0285156],[0.618249,0.194969,0.0627834,-0.0111685],[0.0985124,0.00205851,0.0382265,0.00747788],[-0.00274866,-0.0189571,0.0110214,0.0116502],[-0.00653531,-0.00976105,-0.00277509,0.0053697]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.68
S298 (cal/mol*K) = -15.43
G298 (kcal/mol) = 31.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(134); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(134)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.535e+00 -9.397e-01 -2.132e-01 -1.915e-02 / CHEB/ 1.060e+01 6.398e-01 2.859e-02 -2.852e-02 / CHEB/ 6.182e-01 1.950e-01 6.278e-02 -1.117e-02 / CHEB/ 9.851e-02 2.059e-03 3.823e-02 7.478e-03 / CHEB/ -2.749e-03 -1.896e-02 1.102e-02 1.165e-02 / CHEB/ -6.535e-03 -9.761e-03 -2.775e-03 5.370e-03 /

1099.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-2.6	+0.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-2.9	+0.2	+1.8

Chebyshev(coeffs=[[-3.5308,-0.939109,-0.213,-0.0190386],[10.6025,0.639694,0.0285185,-0.0285975],[0.617485,0.194427,0.0626558,-0.011237],[0.0970783,0.00180948,0.0381664,0.00750665],[-0.00365178,-0.0189878,0.0109601,0.0116573],[-0.00700022,-0.00974531,-0.00282125,0.00533818]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.68
S298 (cal/mol*K) = -15.43
G298 (kcal/mol) = 31.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(135); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(135)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.531e+00 -9.391e-01 -2.130e-01 -1.904e-02 / CHEB/ 1.060e+01 6.397e-01 2.852e-02 -2.860e-02 / CHEB/ 6.175e-01 1.944e-01 6.266e-02 -1.124e-02 / CHEB/ 9.708e-02 1.809e-03 3.817e-02 7.507e-03 / CHEB/ -3.652e-03 -1.899e-02 1.096e-02 1.166e-02 / CHEB/ -7.000e-03 -9.745e-03 -2.821e-03 5.338e-03 /

1100.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-4.8	-1.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-5.0	-1.4	+0.4

Chebyshev(coeffs=[[-7.49855,-0.80347,-0.241185,-0.0150774],[13.3509,0.549487,0.0749399,-0.0428221],[0.496738,0.161988,0.0646392,-0.00214724],[0.0825206,-0.00965832,0.0262927,0.013368],[-0.0075052,-0.017995,0.00246406,0.00908939],[-0.0146693,-0.00759164,-0.00448648,0.00208704]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.08
S298 (cal/mol*K) = -14.75
G298 (kcal/mol) = 42.47

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(136); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(136)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.499e+00 -8.035e-01 -2.412e-01 -1.508e-02 / CHEB/ 1.335e+01 5.495e-01 7.494e-02 -4.282e-02 / CHEB/ 4.967e-01 1.620e-01 6.464e-02 -2.147e-03 / CHEB/ 8.252e-02 -9.658e-03 2.629e-02 1.337e-02 / CHEB/ -7.505e-03 -1.800e-02 2.464e-03 9.089e-03 / CHEB/ -1.467e-02 -7.592e-03 -4.486e-03 2.087e-03 /

1101.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-1.6	+1.0	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-2.0	+0.8	+2.2

Chebyshev(coeffs=[[-2.17395,-0.951265,-0.214427,-0.0207071],[9.86835,0.635623,0.0222392,-0.0288553],[0.462146,0.192317,0.0594594,-0.0129092],[0.0404438,0.000841911,0.0368292,0.0059826],[-0.0265803,-0.019887,0.010588,0.0109749],[-0.0166016,-0.0103816,-0.00299885,0.00519247]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.46
S298 (cal/mol*K) = -6.50
G298 (kcal/mol) = 26.39

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(94); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>CH2(137)+C6H8(94)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.174e+00 -9.513e-01 -2.144e-01 -2.071e-02 / CHEB/ 9.868e+00 6.356e-01 2.224e-02 -2.886e-02 / CHEB/ 4.621e-01 1.923e-01 5.946e-02 -1.291e-02 / CHEB/ 4.044e-02 8.419e-04 3.683e-02 5.983e-03 / CHEB/ -2.658e-02 -1.989e-02 1.059e-02 1.097e-02 / CHEB/ -1.660e-02 -1.038e-02 -2.999e-03 5.192e-03 /

1102.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+1.2	+2.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+0.6	+1.9	+2.5

Chebyshev(coeffs=[[4.72514,-1.25469,-0.22663,-0.0326171],[3.41843,0.663507,0.0102115,-0.0127698],[0.493526,0.255133,0.0156917,0.00265146],[-0.0447152,0.0651118,0.0176148,-0.0111894],[-0.0571027,0.00986858,0.0263939,-0.00576372],[-0.0106644,-0.00364025,0.015749,0.00337717]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.24
S298 (cal/mol*K) = -34.82
G298 (kcal/mol) = -8.86

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(138); C5H6(62), C7H10(138); C2H4(115)+C5H6(62)(+M)=>C7H10(138)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.725e+00 -1.255e+00 -2.266e-01 -3.262e-02 / CHEB/ 3.418e+00 6.635e-01 1.021e-02 -1.277e-02 / CHEB/ 4.935e-01 2.551e-01 1.569e-02 2.651e-03 / CHEB/ -4.472e-02 6.511e-02 1.761e-02 -1.119e-02 / CHEB/ -5.710e-02 9.869e-03 2.639e-02 -5.764e-03 / CHEB/ -1.066e-02 -3.640e-03 1.575e-02 3.377e-03 /

1103.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-0.4	+1.7	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-0.8	+1.5	+2.6

Chebyshev(coeffs=[[0.942416,-1.10165,-0.205122,-0.0444184],[7.00094,0.685101,-0.000542811,0.00489017],[0.685577,0.230328,0.0359028,-0.0158137],[0.0308864,0.0226223,0.0373209,-0.00859084],[-0.033269,-0.0162593,0.0230039,0.00727502],[-0.0106216,-0.0122169,0.00366129,0.00820653]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.58
S298 (cal/mol*K) = -32.70
G298 (kcal/mol) = 16.33

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(139); C5H6(62), C7H10(139); C2H4(115)+C5H6(62)(+M)=>C7H10(139)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.424e-01 -1.102e+00 -2.051e-01 -4.442e-02 / CHEB/ 7.001e+00 6.851e-01 -5.428e-04 4.890e-03 / CHEB/ 6.856e-01 2.303e-01 3.590e-02 -1.581e-02 / CHEB/ 3.089e-02 2.262e-02 3.732e-02 -8.591e-03 / CHEB/ -3.327e-02 -1.626e-02 2.300e-02 7.275e-03 / CHEB/ -1.062e-02 -1.222e-02 3.661e-03 8.207e-03 /

1104.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	-0.1	+2.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-0.5	+1.8	+2.9

Chebyshev(coeffs=[[1.29276,-1.10146,-0.2051,-0.0444034],[6.91252,0.685085,-0.00055558,0.00487769],[0.664931,0.230283,0.0359465,-0.0158301],[0.0249351,0.0225865,0.0373359,-0.00857117],[-0.0352349,-0.016269,0.0229898,0.00728824],[-0.0113218,-0.0122146,0.00364939,0.00820519]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.45
S298 (cal/mol*K) = -31.23
G298 (kcal/mol) = 15.76

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(140); C5H6(62), C7H10(140); C2H4(115)+C5H6(62)(+M)=>C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.293e+00 -1.101e+00 -2.051e-01 -4.440e-02 / CHEB/ 6.913e+00 6.851e-01 -5.556e-04 4.878e-03 / CHEB/ 6.649e-01 2.303e-01 3.595e-02 -1.583e-02 / CHEB/ 2.494e-02 2.259e-02 3.734e-02 -8.571e-03 / CHEB/ -3.523e-02 -1.627e-02 2.299e-02 7.288e-03 / CHEB/ -1.132e-02 -1.221e-02 3.649e-03 8.205e-03 /

1105.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-0.3	+1.6	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-0.7	+1.4	+2.4

Chebyshev(coeffs=[[1.75388,-1.14706,-0.212189,-0.0439499],[5.912,0.694841,0.00729595,0.0020481],[0.787077,0.240426,0.0265821,-0.00885045],[0.035895,0.0328346,0.0334694,-0.0124889],[-0.039363,-0.0130288,0.0264885,0.0037648],[-0.00689588,-0.0124382,0.00691542,0.00840152]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.74
S298 (cal/mol*K) = -34.18
G298 (kcal/mol) = 0.44

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(141); C5H6(62), C7H10(141); C2H4(115)+C5H6(62)(+M)=>C7H10(141)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.754e+00 -1.147e+00 -2.122e-01 -4.395e-02 / CHEB/ 5.912e+00 6.948e-01 7.296e-03 2.048e-03 / CHEB/ 7.871e-01 2.404e-01 2.658e-02 -8.850e-03 / CHEB/ 3.590e-02 3.283e-02 3.347e-02 -1.249e-02 / CHEB/ -3.936e-02 -1.303e-02 2.649e-02 3.765e-03 / CHEB/ -6.896e-03 -1.244e-02 6.915e-03 8.402e-03 /

1106.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-2.9	-0.3	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-3.3	-0.4	+1.0

Chebyshev(coeffs=[[-3.09624,-0.997233,-0.206129,-0.0283198],[9.41897,0.661942,0.00952492,-0.0167776],[0.628591,0.203765,0.0553421,-0.0159125],[0.0936479,0.00493833,0.0391788,0.00234974],[0.0138811,-0.0206262,0.0141498,0.0110899],[-0.0171253,-0.0110705,-0.00180025,0.0063463]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.58
S298 (cal/mol*K) = -32.70
G298 (kcal/mol) = 16.33

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(142); C5H6(62), C7H10(142); C2H4(115)+C5H6(62)(+M)=>C7H10(142)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.096e+00 -9.972e-01 -2.061e-01 -2.832e-02 / CHEB/ 9.419e+00 6.619e-01 9.525e-03 -1.678e-02 / CHEB/ 6.286e-01 2.038e-01 5.534e-02 -1.591e-02 / CHEB/ 9.365e-02 4.938e-03 3.918e-02 2.350e-03 / CHEB/ 1.388e-02 -2.063e-02 1.415e-02 1.109e-02 / CHEB/ -1.713e-02 -1.107e-02 -1.800e-03 6.346e-03 /

1107.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-1.1	+0.8	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.6	+0.6	+1.6

Chebyshev(coeffs=[[0.396796,-1.28213,-0.305832,-0.0858375],[6.59403,0.856073,0.0944632,0.0368819],[0.641341,0.201348,0.0187169,-0.0144737],[0.0250003,0.0145564,0.0284936,-0.0141329],[-0.023267,-0.00503962,0.0303662,0.0085269],[-0.0046964,-0.00547356,0.00975701,0.0112459]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.65
S298 (cal/mol*K) = -31.65
G298 (kcal/mol) = 18.08

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(143); C5H6(62), C7H10(143); C2H4(115)+C5H6(62)(+M)=>C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.968e-01 -1.282e+00 -3.058e-01 -8.584e-02 / CHEB/ 6.594e+00 8.561e-01 9.446e-02 3.688e-02 / CHEB/ 6.413e-01 2.013e-01 1.872e-02 -1.447e-02 / CHEB/ 2.500e-02 1.456e-02 2.849e-02 -1.413e-02 / CHEB/ -2.327e-02 -5.040e-03 3.037e-02 8.527e-03 / CHEB/ -4.696e-03 -5.474e-03 9.757e-03 1.125e-02 /

1108.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.1	+1.2	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-1.5	+1.1	+2.5

Chebyshev(coeffs=[[1.15425,-1.11394,-0.199269,-0.0412425],[6.05097,0.74805,0.0289728,0.00679434],[1.02979,0.264609,0.0395067,-0.00539011],[0.196244,0.0310138,0.0385983,-0.0094287],[0.0413052,-0.0251369,0.0267569,0.00635182],[0.00998352,-0.0224964,0.00445289,0.00989256]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.45
S298 (cal/mol*K) = -28.53
G298 (kcal/mol) = 11.95

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(144); C5H6(62), C7H10(144); C2H4(115)+C5H6(62)(+M)=>C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.154e+00 -1.114e+00 -1.993e-01 -4.124e-02 / CHEB/ 6.051e+00 7.481e-01 2.897e-02 6.794e-03 / CHEB/ 1.030e+00 2.646e-01 3.951e-02 -5.390e-03 / CHEB/ 1.962e-01 3.101e-02 3.860e-02 -9.429e-03 / CHEB/ 4.131e-02 -2.514e-02 2.676e-02 6.352e-03 / CHEB/ 9.984e-03 -2.250e-02 4.453e-03 9.893e-03 /

1109.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-1.5	-0.2	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-2.1	-0.5	+0.2

Chebyshev(coeffs=[[1.58786,-1.22696,-0.222716,-0.0349337],[4.07548,0.681264,0.0132426,-0.00950858],[0.617731,0.256183,0.0193159,0.00197647],[-0.0180695,0.0607377,0.0233974,-0.0118883],[-0.0443679,0.0058283,0.0292149,-0.00344047],[-0.00420888,-0.0049214,0.0152097,0.00565824]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.92
S298 (cal/mol*K) = -39.93
G298 (kcal/mol) = 2.98

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(145); C5H6(62), C7H10(145); C2H4(115)+C5H6(62)(+M)=>C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.588e+00 -1.227e+00 -2.227e-01 -3.493e-02 / CHEB/ 4.075e+00 6.813e-01 1.324e-02 -9.509e-03 / CHEB/ 6.177e-01 2.562e-01 1.932e-02 1.976e-03 / CHEB/ -1.807e-02 6.074e-02 2.340e-02 -1.189e-02 / CHEB/ -4.437e-02 5.828e-03 2.921e-02 -3.440e-03 / CHEB/ -4.209e-03 -4.921e-03 1.521e-02 5.658e-03 /

1110.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	-0.7	+1.0	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-1.2	+0.7	+1.8

Chebyshev(coeffs=[[2.12889,-1.19357,-0.216445,-0.0363182],[4.75089,0.713185,0.0210381,-0.00660284],[0.81517,0.264153,0.0269473,0.00152488],[0.0541434,0.0569282,0.0307492,-0.0113919],[-0.00973028,-0.000190917,0.0316817,-0.000334612],[0.0121782,-0.00868601,0.0136143,0.00796555]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.14
S298 (cal/mol*K) = -36.13
G298 (kcal/mol) = -0.37

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(146); C5H6(62), C7H10(146); C2H4(115)+C5H6(62)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.129e+00 -1.194e+00 -2.164e-01 -3.632e-02 / CHEB/ 4.751e+00 7.132e-01 2.104e-02 -6.603e-03 / CHEB/ 8.152e-01 2.642e-01 2.695e-02 1.525e-03 / CHEB/ 5.414e-02 5.693e-02 3.075e-02 -1.139e-02 / CHEB/ -9.730e-03 -1.909e-04 3.168e-02 -3.346e-04 / CHEB/ 1.218e-02 -8.686e-03 1.361e-02 7.966e-03 /

1111.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	-0.2	+0.8	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-3.8	-0.7	+0.4	+0.9

Chebyshev(coeffs=[[3.4988,-1.27338,-0.229474,-0.031376],[3.14032,0.647263,0.00691584,-0.0144597],[0.424887,0.251449,0.0126857,0.002654],[-0.0615635,0.0665799,0.0136376,-0.0107838],[-0.0657141,0.0124027,0.0240928,-0.0069789],[-0.0156827,-0.00217637,0.0157788,0.00186726]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.02
S298 (cal/mol*K) = -39.58
G298 (kcal/mol) = -7.22

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(147); C5H6(62), C7H10(147); C2H4(115)+C5H6(62)(+M)=>C7H10(147)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.499e+00 -1.273e+00 -2.295e-01 -3.138e-02 / CHEB/ 3.140e+00 6.473e-01 6.916e-03 -1.446e-02 / CHEB/ 4.249e-01 2.514e-01 1.269e-02 2.654e-03 / CHEB/ -6.156e-02 6.658e-02 1.364e-02 -1.078e-02 / CHEB/ -6.571e-02 1.240e-02 2.409e-02 -6.979e-03 / CHEB/ -1.568e-02 -2.176e-03 1.578e-02 1.867e-03 /

1112.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+0.7	+1.2	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+0.0	+0.8	+1.0

Chebyshev(coeffs=[[4.82583,-1.32196,-0.23317,-0.0265027],[2.24998,0.60456,0.00439585,-0.0151269],[0.181849,0.248322,0.0109333,0.00445056],[-0.110919,0.0803938,0.00805025,-0.00749571],[-0.0753614,0.0291291,0.0204641,-0.00787041],[-0.016732,0.00992258,0.0173791,-0.00135693]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.52
S298 (cal/mol*K) = -46.81
G298 (kcal/mol) = -20.57

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(148); C5H6(62), C7H10(148); C2H4(115)+C5H6(62)(+M)=>C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.826e+00 -1.322e+00 -2.332e-01 -2.650e-02 / CHEB/ 2.250e+00 6.046e-01 4.396e-03 -1.513e-02 / CHEB/ 1.818e-01 2.483e-01 1.093e-02 4.451e-03 / CHEB/ -1.109e-01 8.039e-02 8.050e-03 -7.496e-03 / CHEB/ -7.536e-02 2.913e-02 2.046e-02 -7.870e-03 / CHEB/ -1.673e-02 9.923e-03 1.738e-02 -1.357e-03 /

1113.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	-0.3	+1.2	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-0.8	+1.0	+2.1

Chebyshev(coeffs=[[3.15085,-1.2056,-0.21229,-0.0313133],[3.91937,0.731129,0.032254,-0.00840925],[0.795713,0.285655,0.0299247,0.00395381],[0.128308,0.0670938,0.0261943,-0.0099814],[0.0298285,-0.00292857,0.0286716,-0.002868],[0.0223673,-0.0192358,0.0129454,0.00607982]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.34
S298 (cal/mol*K) = -37.61
G298 (kcal/mol) = -1.13

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(149); C5H6(62), C7H10(149); C2H4(115)+C5H6(62)(+M)=>C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.151e+00 -1.206e+00 -2.123e-01 -3.131e-02 / CHEB/ 3.919e+00 7.311e-01 3.225e-02 -8.409e-03 / CHEB/ 7.957e-01 2.857e-01 2.992e-02 3.954e-03 / CHEB/ 1.283e-01 6.709e-02 2.619e-02 -9.981e-03 / CHEB/ 2.983e-02 -2.929e-03 2.867e-02 -2.868e-03 / CHEB/ 2.237e-02 -1.924e-02 1.295e-02 6.080e-03 /

1114.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+2.8	+3.7	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+2.2	+3.3	+3.8

Chebyshev(coeffs=[[6.59304,-1.28181,-0.225823,-0.0269733],[2.96612,0.625521,-0.00160888,-0.0198753],[0.396823,0.255891,0.0142804,0.00419111],[-0.0561635,0.0708386,0.0111625,-0.00983116],[-0.0622609,0.0158336,0.0221344,-0.00782201],[-0.0158399,-0.000268352,0.0159975,0.00054084]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.03
S298 (cal/mol*K) = -45.13
G298 (kcal/mol) = -50.59

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(150); C5H6(62), C7H10(150); C2H4(115)+C5H6(62)(+M)=>C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.593e+00 -1.282e+00 -2.258e-01 -2.697e-02 / CHEB/ 2.966e+00 6.255e-01 -1.609e-03 -1.988e-02 / CHEB/ 3.968e-01 2.559e-01 1.428e-02 4.191e-03 / CHEB/ -5.616e-02 7.084e-02 1.116e-02 -9.831e-03 / CHEB/ -6.226e-02 1.583e-02 2.213e-02 -7.822e-03 / CHEB/ -1.584e-02 -2.684e-04 1.600e-02 5.408e-04 /

1115.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+2.2	+3.4	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+1.6	+3.1	+3.7

Chebyshev(coeffs=[[5.4763,-1.25092,-0.227181,-0.0336267],[3.78352,0.662592,0.00819112,-0.0129654],[0.562293,0.250615,0.0140514,0.00172745],[-0.0338824,0.0601747,0.016956,-0.0120839],[-0.0573659,0.00601084,0.0255989,-0.00581688],[-0.0131726,-0.0059018,0.0145925,0.00353019]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.20
S298 (cal/mol*K) = -30.52
G298 (kcal/mol) = -4.11

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(151); C5H6(62), C7H10(151); C2H4(115)+C5H6(62)(+M)=>C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.476e+00 -1.251e+00 -2.272e-01 -3.363e-02 / CHEB/ 3.784e+00 6.626e-01 8.191e-03 -1.297e-02 / CHEB/ 5.623e-01 2.506e-01 1.405e-02 1.727e-03 / CHEB/ -3.388e-02 6.017e-02 1.696e-02 -1.208e-02 / CHEB/ -5.737e-02 6.011e-03 2.560e-02 -5.817e-03 / CHEB/ -1.317e-02 -5.902e-03 1.459e-02 3.530e-03 /

1116.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	+0.9	+2.7	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+1.4	+3.4	+4.4

Chebyshev(coeffs=[[2.64708,0.752704,-0.265281,-0.0662384],[6.14112,0.786978,0.0590281,0.0222666],[0.672057,0.216699,0.0157832,-0.00882376],[-0.0537441,0.0449567,0.0349167,-0.0122388],[-0.0433895,-0.0129122,0.0256506,0.002126],[0.0121867,-0.0143415,0.00625453,0.00723316]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.63
S298 (cal/mol*K) = -17.59
G298 (kcal/mol) = 10.88

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(152); C5H6(62), C7H10(152); C2H4(115)+C5H6(62)(+M)=>C7H10(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.647e+00 7.527e-01 -2.653e-01 -6.624e-02 / CHEB/ 6.141e+00 7.870e-01 5.903e-02 2.227e-02 / CHEB/ 6.721e-01 2.167e-01 1.578e-02 -8.824e-03 / CHEB/ -5.374e-02 4.496e-02 3.492e-02 -1.224e-02 / CHEB/ -4.339e-02 -1.291e-02 2.565e-02 2.126e-03 / CHEB/ 1.219e-02 -1.434e-02 6.255e-03 7.233e-03 /

1117.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+1.8	+3.8	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+1.3	+3.6	+4.7

Chebyshev(coeffs=[[3.26993,-1.11883,-0.207424,-0.0452251],[6.72141,0.686856,0.00130516,0.00531574],[0.728001,0.234325,0.0320565,-0.0139063],[0.0309543,0.0264033,0.0359794,-0.0102574],[-0.0327541,-0.0150115,0.0243455,0.0060371],[-0.00939076,-0.0122383,0.00487813,0.008317]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.63
S298 (cal/mol*K) = -17.59
G298 (kcal/mol) = 10.88

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(153); C5H6(62), C7H10(153); C2H4(115)+C5H6(62)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.270e+00 -1.119e+00 -2.074e-01 -4.523e-02 / CHEB/ 6.721e+00 6.869e-01 1.305e-03 5.316e-03 / CHEB/ 7.280e-01 2.343e-01 3.206e-02 -1.391e-02 / CHEB/ 3.095e-02 2.640e-02 3.598e-02 -1.026e-02 / CHEB/ -3.275e-02 -1.501e-02 2.435e-02 6.037e-03 / CHEB/ -9.391e-03 -1.224e-02 4.878e-03 8.317e-03 /

1118.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+0.4	+2.3	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.0	+2.0	+3.0

Chebyshev(coeffs=[[2.31258,-1.12992,-0.209183,-0.0452159],[6.06904,0.687691,0.00278447,0.00478795],[0.6493,0.236612,0.0296426,-0.0123662],[-0.000134459,0.0290065,0.0349411,-0.0112291],[-0.0425942,-0.0140545,0.0251253,0.00514289],[-0.012218,-0.0122029,0.00570039,0.00832886]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.12
S298 (cal/mol*K) = -18.05
G298 (kcal/mol) = 8.49

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(154); C5H6(62), C7H10(154); C2H4(115)+C5H6(62)(+M)=>C7H10(154)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.313e+00 -1.130e+00 -2.092e-01 -4.522e-02 / CHEB/ 6.069e+00 6.877e-01 2.784e-03 4.788e-03 / CHEB/ 6.493e-01 2.366e-01 2.964e-02 -1.237e-02 / CHEB/ -1.345e-04 2.901e-02 3.494e-02 -1.123e-02 / CHEB/ -4.259e-02 -1.405e-02 2.513e-02 5.143e-03 / CHEB/ -1.222e-02 -1.220e-02 5.700e-03 8.329e-03 /

1119.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-1.3	+0.8	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-1.7	+0.6	+1.8

Chebyshev(coeffs=[[-0.0374797,-1.09806,-0.204731,-0.0441298],[7.11563,0.684637,-0.000840796,0.00460672],[0.688874,0.229413,0.0366971,-0.0161361],[0.034363,0.0218577,0.037552,-0.00822746],[-0.0321989,-0.0164974,0.0226999,0.00750681],[-0.0104867,-0.0122107,0.00341163,0.00816879]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.39
S298 (cal/mol*K) = -36.85
G298 (kcal/mol) = 19.37

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(155); C5H6(62), C7H10(155); C2H4(115)+C5H6(62)(+M)=>C7H10(155)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.748e-02 -1.098e+00 -2.047e-01 -4.413e-02 / CHEB/ 7.116e+00 6.846e-01 -8.408e-04 4.607e-03 / CHEB/ 6.889e-01 2.294e-01 3.670e-02 -1.614e-02 / CHEB/ 3.436e-02 2.186e-02 3.755e-02 -8.227e-03 / CHEB/ -3.220e-02 -1.650e-02 2.270e-02 7.507e-03 / CHEB/ -1.049e-02 -1.221e-02 3.412e-03 8.169e-03 /

1120.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-5.7	-4.3	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-6.8	-5.0	-4.2

Chebyshev(coeffs=[[-4.32438,-2.02228,-0.353018,0.0242815],[6.01213,0.89942,-0.120279,-0.089123],[0.418026,0.36808,0.0938703,-0.0144803],[-0.136831,0.13961,0.0694821,-0.00171067],[-0.0853489,0.061958,0.0373476,-4.57979e-05],[-0.0394296,0.0174852,0.0132354,0.0034681]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.63
S298 (cal/mol*K) = -33.33
G298 (kcal/mol) = 16.56

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(44); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.324e+00 -2.022e+00 -3.530e-01 2.428e-02 / CHEB/ 6.012e+00 8.994e-01 -1.203e-01 -8.912e-02 / CHEB/ 4.180e-01 3.681e-01 9.387e-02 -1.448e-02 / CHEB/ -1.368e-01 1.396e-01 6.948e-02 -1.711e-03 / CHEB/ -8.535e-02 6.196e-02 3.735e-02 -4.580e-05 / CHEB/ -3.943e-02 1.749e-02 1.324e-02 3.468e-03 /

1121.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-7.5	-5.5	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-8.4	-6.0	-5.0

Chebyshev(coeffs=[[-7.9859,-1.86139,-0.419167,0.00455021],[8.97819,1.01071,-0.0105449,-0.0898838],[0.223408,0.312533,0.114242,-0.00764138],[-0.120412,0.0927067,0.0691054,0.00651967],[-0.077991,0.0430576,0.02962,0.00696108],[-0.0398051,0.0111246,0.00750092,0.00518235]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.68
S298 (cal/mol*K) = -25.20
G298 (kcal/mol) = 29.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(45); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.986e+00 -1.861e+00 -4.192e-01 4.550e-03 / CHEB/ 8.978e+00 1.011e+00 -1.054e-02 -8.988e-02 / CHEB/ 2.234e-01 3.125e-01 1.142e-01 -7.641e-03 / CHEB/ -1.204e-01 9.271e-02 6.911e-02 6.520e-03 / CHEB/ -7.799e-02 4.306e-02 2.962e-02 6.961e-03 / CHEB/ -3.981e-02 1.112e-02 7.501e-03 5.182e-03 /

1122.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-7.4	-5.5	-4.9
log₁₀(k(10 bar)/[mole,m,s])	-15.2	-8.3	-6.1	-5.1

Chebyshev(coeffs=[[-7.50317,-1.88985,-0.409356,0.00601936],[8.41024,1.00641,-0.0278076,-0.0882827],[0.220726,0.320817,0.112677,-0.00935057],[-0.132289,0.098348,0.0701411,0.0050051],[-0.0824996,0.0449941,0.0308162,0.00634128],[-0.0406985,0.0117369,0.00818834,0.00522698]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.63
S298 (cal/mol*K) = -26.11
G298 (kcal/mol) = 27.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(46); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.503e+00 -1.890e+00 -4.094e-01 6.019e-03 / CHEB/ 8.410e+00 1.006e+00 -2.781e-02 -8.828e-02 / CHEB/ 2.207e-01 3.208e-01 1.127e-01 -9.351e-03 / CHEB/ -1.323e-01 9.835e-02 7.014e-02 5.005e-03 / CHEB/ -8.250e-02 4.499e-02 3.082e-02 6.341e-03 / CHEB/ -4.070e-02 1.174e-02 8.188e-03 5.227e-03 /

1123.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-11.2	-8.4	-7.3
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-11.8	-8.8	-7.4

Chebyshev(coeffs=[[-13.955,-1.57346,-0.483982,-0.0164379],[12.6185,0.953275,0.12669,-0.0894114],[0.101454,0.244734,0.115298,0.0102584],[-0.107749,0.0533896,0.0534773,0.0171403],[-0.0654889,0.0315532,0.0200603,0.00814676],[-0.0391172,0.0083901,0.00393377,0.0035352]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.73
S298 (cal/mol*K) = -27.83
G298 (kcal/mol) = 44.02

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(47); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.395e+01 -1.573e+00 -4.840e-01 -1.644e-02 / CHEB/ 1.262e+01 9.533e-01 1.267e-01 -8.941e-02 / CHEB/ 1.015e-01 2.447e-01 1.153e-01 1.026e-02 / CHEB/ -1.077e-01 5.339e-02 5.348e-02 1.714e-02 / CHEB/ -6.549e-02 3.155e-02 2.006e-02 8.147e-03 / CHEB/ -3.912e-02 8.390e-03 3.934e-03 3.535e-03 /

1124.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-4.2	-3.3	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-5.4	-4.1	-3.6

Chebyshev(coeffs=[[-1.66052,-2.08783,-0.327011,0.038522],[4.2033,0.794131,-0.158146,-0.0881394],[0.283929,0.370489,0.0740034,-0.0197696],[-0.162009,0.167863,0.0630944,-0.00265097],[-0.0972321,0.0799895,0.0381594,-0.00349108],[-0.043317,0.0242458,0.0163879,0.000343548]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -45.23
G298 (kcal/mol) = 2.59

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(48); C5H6(62), C7H10(48); C2H4(115)+C5H6(62)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.661e+00 -2.088e+00 -3.270e-01 3.852e-02 / CHEB/ 4.203e+00 7.941e-01 -1.581e-01 -8.814e-02 / CHEB/ 2.839e-01 3.705e-01 7.400e-02 -1.977e-02 / CHEB/ -1.620e-01 1.679e-01 6.309e-02 -2.651e-03 / CHEB/ -9.723e-02 7.999e-02 3.816e-02 -3.491e-03 / CHEB/ -4.332e-02 2.425e-02 1.639e-02 3.435e-04 /

1125.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-5.1	-3.7	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-6.2	-4.4	-3.7

Chebyshev(coeffs=[[-3.51125,-2.03173,-0.348639,0.0264854],[5.74783,0.885026,-0.126962,-0.0895241],[0.412509,0.370327,0.0914193,-0.0150241],[-0.140239,0.143783,0.0688633,-0.00188918],[-0.0871067,0.0641412,0.0376623,-0.000675387],[-0.0397864,0.0182335,0.0137124,0.00307946]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -45.23
G298 (kcal/mol) = 2.59

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(49); C5H6(62), C7H10(49); C2H4(115)+C5H6(62)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.511e+00 -2.032e+00 -3.486e-01 2.649e-02 / CHEB/ 5.748e+00 8.850e-01 -1.270e-01 -8.952e-02 / CHEB/ 4.125e-01 3.703e-01 9.142e-02 -1.502e-02 / CHEB/ -1.402e-01 1.438e-01 6.886e-02 -1.889e-03 / CHEB/ -8.711e-02 6.414e-02 3.766e-02 -6.754e-04 / CHEB/ -3.979e-02 1.823e-02 1.371e-02 3.079e-03 /

1126.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+0.4	+1.0	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-4.6	-0.5	+0.5	+0.4

Chebyshev(coeffs=[[3.40817,-2.1183,-0.239222,0.0297961],[3.37024,1.11,-0.166399,-0.0828434],[0.298461,0.511643,0.0865761,-0.0240555],[-0.256141,0.0755759,0.0776216,0.00956514],[-0.202191,-0.0505358,0.0269669,0.0103924],[-0.0807736,-0.0386886,-0.00411243,0.00249716]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.59
S298 (cal/mol*K) = -45.96
G298 (kcal/mol) = -1.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(50); C5H6(62), C7H10(50); C2H4(115)+C5H6(62)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.408e+00 -2.118e+00 -2.392e-01 2.980e-02 / CHEB/ 3.370e+00 1.110e+00 -1.664e-01 -8.284e-02 / CHEB/ 2.985e-01 5.116e-01 8.658e-02 -2.406e-02 / CHEB/ -2.561e-01 7.558e-02 7.762e-02 9.565e-03 / CHEB/ -2.022e-01 -5.054e-02 2.697e-02 1.039e-02 / CHEB/ -8.077e-02 -3.869e-02 -4.112e-03 2.497e-03 /

1127.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-4.5	-3.8	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-5.7	-4.6	-4.2

Chebyshev(coeffs=[[-1.52826,-2.1302,-0.316292,0.0460299],[3.5822,0.725383,-0.17123,-0.0836301],[0.191308,0.356674,0.0594183,-0.0231649],[-0.158221,0.181175,0.0564927,-0.00389807],[-0.0937554,0.0935283,0.0369761,-0.00463501],[-0.0431561,0.0306962,0.017768,-0.00151001]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.59
S298 (cal/mol*K) = -45.96
G298 (kcal/mol) = -1.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(51); C5H6(62), C7H10(51); C2H4(115)+C5H6(62)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.528e+00 -2.130e+00 -3.163e-01 4.603e-02 / CHEB/ 3.582e+00 7.254e-01 -1.712e-01 -8.363e-02 / CHEB/ 1.913e-01 3.567e-01 5.942e-02 -2.316e-02 / CHEB/ -1.582e-01 1.812e-01 5.649e-02 -3.898e-03 / CHEB/ -9.376e-02 9.353e-02 3.698e-02 -4.635e-03 / CHEB/ -4.316e-02 3.070e-02 1.777e-02 -1.510e-03 /

1128.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-3.3	-2.8	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-4.6	-3.6	-3.6

Chebyshev(coeffs=[[-0.868296,-2.49329,-0.169997,0.0049406],[3.96081,0.995878,-0.22996,-0.020696],[0.130506,0.622289,0.0179258,-0.0338438],[-0.3913,0.214694,0.087904,-0.0201192],[-0.208923,0.0116512,0.0539758,0.00449],[-0.0478968,-0.023487,0.00230641,0.0110536]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.99
S298 (cal/mol*K) = -45.96
G298 (kcal/mol) = -0.30

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(52); C5H6(62), C7H10(52); C2H4(115)+C5H6(62)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.683e-01 -2.493e+00 -1.700e-01 4.941e-03 / CHEB/ 3.961e+00 9.959e-01 -2.300e-01 -2.070e-02 / CHEB/ 1.305e-01 6.223e-01 1.793e-02 -3.384e-02 / CHEB/ -3.913e-01 2.147e-01 8.790e-02 -2.012e-02 / CHEB/ -2.089e-01 1.165e-02 5.398e-02 4.490e-03 / CHEB/ -4.790e-02 -2.349e-02 2.306e-03 1.105e-02 /

1129.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	-0.9	+0.0	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-2.0	-0.7	-0.3

Chebyshev(coeffs=[[1.85752,-2.07144,-0.298298,0.0449343],[4.00928,0.836648,-0.138254,-0.0800335],[0.298545,0.399387,0.0809278,-0.0179586],[-0.152751,0.164193,0.0593269,-0.000261471],[-0.11407,0.0514464,0.0257516,-0.00355129],[-0.0627344,-0.00686696,0.00207133,-0.0032587]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.33
S298 (cal/mol*K) = -36.36
G298 (kcal/mol) = -1.50

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(53); C5H6(62), C7H10(53); C2H4(115)+C5H6(62)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.858e+00 -2.071e+00 -2.983e-01 4.493e-02 / CHEB/ 4.009e+00 8.366e-01 -1.383e-01 -8.003e-02 / CHEB/ 2.985e-01 3.994e-01 8.093e-02 -1.796e-02 / CHEB/ -1.528e-01 1.642e-01 5.933e-02 -2.615e-04 / CHEB/ -1.141e-01 5.145e-02 2.575e-02 -3.551e-03 / CHEB/ -6.273e-02 -6.867e-03 2.071e-03 -3.259e-03 /

1130.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-2.0	-0.9	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-3.2	-1.7	-1.1

Chebyshev(coeffs=[[0.460991,-2.08815,-0.324482,0.0391991],[4.44356,0.793466,-0.158988,-0.0882453],[0.366928,0.373793,0.0737565,-0.0203269],[-0.133777,0.170826,0.0635133,-0.0024575],[-0.0904338,0.0810766,0.0384961,-0.00338016],[-0.0457693,0.0242782,0.0165405,0.000238027]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.91
S298 (cal/mol*K) = -40.46
G298 (kcal/mol) = 3.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(55); C5H6(62), C7H10(55); C2H4(115)+C5H6(62)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.610e-01 -2.088e+00 -3.245e-01 3.920e-02 / CHEB/ 4.444e+00 7.935e-01 -1.590e-01 -8.825e-02 / CHEB/ 3.669e-01 3.738e-01 7.376e-02 -2.033e-02 / CHEB/ -1.338e-01 1.708e-01 6.351e-02 -2.458e-03 / CHEB/ -9.043e-02 8.108e-02 3.850e-02 -3.380e-03 / CHEB/ -4.577e-02 2.428e-02 1.654e-02 2.380e-04 /

1131.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-3.0	-1.3	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-4.0	-1.9	-1.0

Chebyshev(coeffs=[[-2.65273,-1.94488,-0.384981,0.010699],[7.5797,0.987822,-0.0657939,-0.0865944],[0.355763,0.344363,0.10904,-0.0121018],[-0.140349,0.113191,0.0721175,0.00194407],[-0.105049,0.0494298,0.0334758,0.00450492],[-0.0195348,0.0120123,0.00976098,0.00525546]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.69
S298 (cal/mol*K) = -34.72
G298 (kcal/mol) = 4.66

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(56); C5H6(62), C7H10(56); C2H4(115)+C5H6(62)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.653e+00 -1.945e+00 -3.850e-01 1.070e-02 / CHEB/ 7.580e+00 9.878e-01 -6.579e-02 -8.659e-02 / CHEB/ 3.558e-01 3.444e-01 1.090e-01 -1.210e-02 / CHEB/ -1.403e-01 1.132e-01 7.212e-02 1.944e-03 / CHEB/ -1.050e-01 4.943e-02 3.348e-02 4.505e-03 / CHEB/ -1.953e-02 1.201e-02 9.761e-03 5.255e-03 /

1132.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-1.0	-0.2	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-2.2	-0.8	-0.7

Chebyshev(coeffs=[[0.621573,-2.48319,-0.18577,0.000765147],[5.24533,1.23087,-0.21614,-0.0226627],[0.194322,0.665308,0.0550345,-0.0438836],[-0.419979,0.140286,0.102896,-0.014748],[-0.195984,-0.0303465,0.0440083,0.013169],[-0.0292932,-0.0256469,-0.00651683,0.0115374]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.38
S298 (cal/mol*K) = -8.78
G298 (kcal/mol) = 2.24

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H5(156); C2H4(115), C3H5(98); C2H4(115)+C5H6(62)(+M)=>C4H5(156)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.216e-01 -2.483e+00 -1.858e-01 7.651e-04 / CHEB/ 5.245e+00 1.231e+00 -2.161e-01 -2.266e-02 / CHEB/ 1.943e-01 6.653e-01 5.503e-02 -4.388e-02 / CHEB/ -4.200e-01 1.403e-01 1.029e-01 -1.475e-02 / CHEB/ -1.960e-01 -3.035e-02 4.401e-02 1.317e-02 / CHEB/ -2.929e-02 -2.565e-02 -6.517e-03 1.154e-02 /

1133.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-5.6	-4.0	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-14.1	-6.5	-4.4	-3.8

Chebyshev(coeffs=[[-5.74833,-2.3735,-0.234582,0.00766532],[8.27192,1.46873,-0.162407,-0.046808],[0.199799,0.593616,0.109355,-0.0474471],[-0.314724,0.0478806,0.104853,0.00122054],[-0.137432,-0.066769,0.0234291,0.0209516],[-0.00753994,-0.0298646,-0.0151139,0.00907485]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.55
S298 (cal/mol*K) = -18.03
G298 (kcal/mol) = 21.92

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(157); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(157)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.748e+00 -2.373e+00 -2.346e-01 7.665e-03 / CHEB/ 8.272e+00 1.469e+00 -1.624e-01 -4.681e-02 / CHEB/ 1.998e-01 5.936e-01 1.094e-01 -4.745e-02 / CHEB/ -3.147e-01 4.788e-02 1.049e-01 1.221e-03 / CHEB/ -1.374e-01 -6.677e-02 2.343e-02 2.095e-02 / CHEB/ -7.540e-03 -2.986e-02 -1.511e-02 9.075e-03 /

1134.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-6.1	-4.2	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-6.8	-4.5	-3.7

Chebyshev(coeffs=[[-8.12902,-2.01294,-0.368765,0.0272697],[11.1013,1.52795,0.0341801,-0.108109],[-0.258637,0.396399,0.161165,-0.0170643],[-0.282229,-0.070355,0.0642625,0.0304514],[-0.101081,-0.0749082,-0.0109217,0.0174531],[-0.0121445,-0.0116142,-0.0164849,-0.000742021]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.47
S298 (cal/mol*K) = 1.42
G298 (kcal/mol) = 33.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(158); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C5H7(158)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.129e+00 -2.013e+00 -3.688e-01 2.727e-02 / CHEB/ 1.110e+01 1.528e+00 3.418e-02 -1.081e-01 / CHEB/ -2.586e-01 3.964e-01 1.612e-01 -1.706e-02 / CHEB/ -2.822e-01 -7.035e-02 6.426e-02 3.045e-02 / CHEB/ -1.011e-01 -7.491e-02 -1.092e-02 1.745e-02 / CHEB/ -1.214e-02 -1.161e-02 -1.648e-02 -7.420e-04 /

1135.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-4.1	-1.0	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-4.5	-1.1	+0.6

Chebyshev(coeffs=[[-4.43166,-1.32292,-0.135681,-0.000554583],[9.8403,1.04063,-0.0859656,-0.0577798],[1.08815,0.289046,0.0918208,-0.0111612],[0.171592,-0.0679565,0.056449,0.0141357],[0.00992672,-0.0781784,0.00998487,0.0178212],[-0.0264656,-0.0157955,-0.0112146,0.00615534]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.62
S298 (cal/mol*K) = -17.27
G298 (kcal/mol) = 23.76

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(159); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(159)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.432e+00 -1.323e+00 -1.357e-01 -5.546e-04 / CHEB/ 9.840e+00 1.041e+00 -8.597e-02 -5.778e-02 / CHEB/ 1.088e+00 2.890e-01 9.182e-02 -1.116e-02 / CHEB/ 1.716e-01 -6.796e-02 5.645e-02 1.414e-02 / CHEB/ 9.927e-03 -7.818e-02 9.985e-03 1.782e-02 / CHEB/ -2.647e-02 -1.580e-02 -1.121e-02 6.155e-03 /

1136.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.2	-7.6	-5.7	-4.9
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-8.3	-6.0	-5.1

Chebyshev(coeffs=[[-8.7556,-2.22476,-0.291844,0.0204277],[9.97707,1.56085,-0.0806359,-0.0796978],[0.0753401,0.506255,0.144473,-0.0372076],[-0.249559,-0.0219438,0.0918062,0.0171606],[-0.107809,-0.0818002,0.00431295,0.0223278],[0.0248865,-0.0254281,-0.0183882,0.00468451]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.35
S298 (cal/mol*K) = -18.15
G298 (kcal/mol) = 29.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(160); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(160)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.756e+00 -2.225e+00 -2.918e-01 2.043e-02 / CHEB/ 9.977e+00 1.561e+00 -8.064e-02 -7.970e-02 / CHEB/ 7.534e-02 5.063e-01 1.445e-01 -3.721e-02 / CHEB/ -2.496e-01 -2.194e-02 9.181e-02 1.716e-02 / CHEB/ -1.078e-01 -8.180e-02 4.313e-03 2.233e-02 / CHEB/ 2.489e-02 -2.543e-02 -1.839e-02 4.685e-03 /

1137.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-11.3	-8.2	-6.8
log₁₀(k(10 bar)/[mole,m,s])	-23.0	-11.7	-8.4	-6.9

Chebyshev(coeffs=[[-15.482,-1.61763,-0.456652,0.00438793],[14.8898,1.32751,0.205663,-0.10484],[-0.112956,0.247742,0.14784,0.0187125],[-0.175527,-0.0995487,0.0181216,0.0335243],[-0.0613598,-0.0514973,-0.0212275,0.00518523],[-0.0117548,0.00351335,-0.00841402,-0.00479662]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.65
S298 (cal/mol*K) = -12.53
G298 (kcal/mol) = 49.38

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(161); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(161)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.548e+01 -1.618e+00 -4.567e-01 4.388e-03 / CHEB/ 1.489e+01 1.328e+00 2.057e-01 -1.048e-01 / CHEB/ -1.130e-01 2.477e-01 1.478e-01 1.871e-02 / CHEB/ -1.755e-01 -9.955e-02 1.812e-02 3.352e-02 / CHEB/ -6.136e-02 -5.150e-02 -2.123e-02 5.185e-03 / CHEB/ -1.175e-02 3.513e-03 -8.414e-03 -4.797e-03 /

1138.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-11.3	-8.2	-6.8
log₁₀(k(10 bar)/[mole,m,s])	-23.0	-11.7	-8.4	-6.9

H298 (kcal/mol) = 45.65
S298 (cal/mol*K) = -12.53
G298 (kcal/mol) = 49.38

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(162); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(162)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.548e+01 -1.618e+00 -4.567e-01 4.388e-03 / CHEB/ 1.489e+01 1.328e+00 2.057e-01 -1.048e-01 / CHEB/ -1.130e-01 2.477e-01 1.478e-01 1.871e-02 / CHEB/ -1.755e-01 -9.955e-02 1.812e-02 3.352e-02 / CHEB/ -6.136e-02 -5.150e-02 -2.123e-02 5.185e-03 / CHEB/ -1.175e-02 3.513e-03 -8.414e-03 -4.797e-03 /

1139.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-10.5	-7.7	-6.4
log₁₀(k(10 bar)/[mole,m,s])	-21.8	-11.0	-7.8	-6.5

Chebyshev(coeffs=[[-14.1434,-1.75505,-0.433564,0.0167466],[13.9736,1.41172,0.153009,-0.11343],[-0.0921388,0.292891,0.157413,0.00764012],[-0.185991,-0.0954121,0.0326989,0.03508],[-0.0653865,-0.0602581,-0.0197835,0.00931394],[-0.0089142,-0.000667157,-0.011539,-0.00422041]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.15
S298 (cal/mol*K) = -12.53
G298 (kcal/mol) = 45.88

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(163); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(163)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.414e+01 -1.755e+00 -4.336e-01 1.675e-02 / CHEB/ 1.397e+01 1.412e+00 1.530e-01 -1.134e-01 / CHEB/ -9.214e-02 2.929e-01 1.574e-01 7.640e-03 / CHEB/ -1.860e-01 -9.541e-02 3.270e-02 3.508e-02 / CHEB/ -6.539e-02 -6.026e-02 -1.978e-02 9.314e-03 / CHEB/ -8.914e-03 -6.672e-04 -1.154e-02 -4.220e-03 /

1140.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.2	-9.9	-6.9	-5.6
log₁₀(k(10 bar)/[mole,m,s])	-21.6	-10.4	-7.1	-5.7

Chebyshev(coeffs=[[-13.967,-1.6756,-0.447969,0.0101192],[14.5991,1.36441,0.184512,-0.109398],[-0.0839867,0.266067,0.152363,0.0143186],[-0.173487,-0.0983711,0.0240468,0.0344531],[-0.0608655,-0.055197,-0.0208529,0.00686635],[-0.00979692,0.00185958,-0.00974426,-0.00464584]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.35
S298 (cal/mol*K) = -12.95
G298 (kcal/mol) = 48.20

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(164); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.397e+01 -1.676e+00 -4.480e-01 1.012e-02 / CHEB/ 1.460e+01 1.364e+00 1.845e-01 -1.094e-01 / CHEB/ -8.399e-02 2.661e-01 1.524e-01 1.432e-02 / CHEB/ -1.735e-01 -9.837e-02 2.405e-02 3.445e-02 / CHEB/ -6.087e-02 -5.520e-02 -2.085e-02 6.866e-03 / CHEB/ -9.797e-03 1.860e-03 -9.744e-03 -4.646e-03 /

1141.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-2.6	-1.8	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-3.8	-2.5	-2.3

Chebyshev(coeffs=[[-0.951671,-2.50062,-0.18044,0.00104798],[5.17014,1.18611,-0.220287,-0.0205468],[0.252992,0.666849,0.0457764,-0.0424401],[-0.405605,0.155612,0.100563,-0.0163527],[-0.197283,-0.022126,0.0467356,0.0114113],[-0.0309725,-0.0237139,-0.00467562,0.0114997]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.93
S298 (cal/mol*K) = -31.31
G298 (kcal/mol) = 0.40

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(165); C5H6(62), C7H10(165); C2H4(115)+C5H6(62)(+M)=>C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.517e-01 -2.501e+00 -1.804e-01 1.048e-03 / CHEB/ 5.170e+00 1.186e+00 -2.203e-01 -2.055e-02 / CHEB/ 2.530e-01 6.668e-01 4.578e-02 -4.244e-02 / CHEB/ -4.056e-01 1.556e-01 1.006e-01 -1.635e-02 / CHEB/ -1.973e-01 -2.213e-02 4.674e-02 1.141e-02 / CHEB/ -3.097e-02 -2.371e-02 -4.676e-03 1.150e-02 /

1142.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-2.6	-1.7	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-3.7	-2.3	-2.1

Chebyshev(coeffs=[[-0.933474,-2.49992,-0.180637,0.00103312],[5.30013,1.18785,-0.220144,-0.0206266],[0.279029,0.66686,0.0461334,-0.0424963],[-0.397931,0.155026,0.100664,-0.0162963],[-0.194498,-0.0224575,0.0466343,0.0114803],[-0.0299346,-0.0237963,-0.0047491,0.0115039]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.53
S298 (cal/mol*K) = -30.67
G298 (kcal/mol) = 0.61

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(166); C5H6(62), C7H10(166); C2H4(115)+C5H6(62)(+M)=>C7H10(166)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.335e-01 -2.500e+00 -1.806e-01 1.033e-03 / CHEB/ 5.300e+00 1.188e+00 -2.201e-01 -2.063e-02 / CHEB/ 2.790e-01 6.669e-01 4.613e-02 -4.250e-02 / CHEB/ -3.979e-01 1.550e-01 1.007e-01 -1.630e-02 / CHEB/ -1.945e-01 -2.246e-02 4.663e-02 1.148e-02 / CHEB/ -2.993e-02 -2.380e-02 -4.749e-03 1.150e-02 /

1143.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-2.9	-0.9	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-3.4	-1.1	+0.1

Chebyshev(coeffs=[[-0.350402,-1.57979,-0.0553186,0.0368267],[5.34651,1.09763,-0.203418,-0.0886931],[0.985887,0.386091,0.0701861,-0.0230543],[0.0871277,0.0133455,0.0647378,0.00544338],[-0.000695419,-0.063636,0.0247769,0.0138118],[0.0173695,-0.0450461,-0.0018118,0.00964545]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.92
S298 (cal/mol*K) = -36.39
G298 (kcal/mol) = -9.08

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(167); C5H6(62), C7H10(167); C2H4(115)+C5H6(62)(+M)=>C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.504e-01 -1.580e+00 -5.532e-02 3.683e-02 / CHEB/ 5.347e+00 1.098e+00 -2.034e-01 -8.869e-02 / CHEB/ 9.859e-01 3.861e-01 7.019e-02 -2.305e-02 / CHEB/ 8.713e-02 1.335e-02 6.474e-02 5.443e-03 / CHEB/ -6.954e-04 -6.364e-02 2.478e-02 1.381e-02 / CHEB/ 1.737e-02 -4.505e-02 -1.812e-03 9.645e-03 /

1144.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-3.8	-2.6	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-4.8	-3.1	-2.4

Chebyshev(coeffs=[[-2.57732,-2.43952,-0.199713,0.000858934],[6.41899,1.34139,-0.201119,-0.0290523],[0.0964555,0.650982,0.0772539,-0.0468251],[-0.28625,0.101186,0.106793,-0.00937415],[0.0285523,-0.0518546,0.0372235,0.0172401],[0.00606597,-0.0306363,-0.0105118,0.0112159]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.53
S298 (cal/mol*K) = -30.67
G298 (kcal/mol) = 0.61

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(168); C5H6(62), C7H10(168); C2H4(115)+C5H6(62)(+M)=>C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.577e+00 -2.440e+00 -1.997e-01 8.589e-04 / CHEB/ 6.419e+00 1.341e+00 -2.011e-01 -2.905e-02 / CHEB/ 9.646e-02 6.510e-01 7.725e-02 -4.683e-02 / CHEB/ -2.862e-01 1.012e-01 1.068e-01 -9.374e-03 / CHEB/ 2.855e-02 -5.185e-02 3.722e-02 1.724e-02 / CHEB/ 6.066e-03 -3.064e-02 -1.051e-02 1.122e-02 /

1145.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-4.2	-3.1	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-5.4	-3.7	-3.4

Chebyshev(coeffs=[[-2.86259,-2.4761,-0.183982,0.00044409],[5.81108,1.23699,-0.215013,-0.0228286],[0.352555,0.671328,0.0559782,-0.0436779],[-0.372094,0.140798,0.103793,-0.0145925],[-0.177466,-0.0323833,0.0442042,0.0133043],[-0.0255094,-0.0269426,-0.00681536,0.0116161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.71
S298 (cal/mol*K) = -40.34
G298 (kcal/mol) = -4.69

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(169); C5H6(62), C7H10(169); C2H4(115)+C5H6(62)(+M)=>C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.863e+00 -2.476e+00 -1.840e-01 4.441e-04 / CHEB/ 5.811e+00 1.237e+00 -2.150e-01 -2.283e-02 / CHEB/ 3.526e-01 6.713e-01 5.598e-02 -4.368e-02 / CHEB/ -3.721e-01 1.408e-01 1.038e-01 -1.459e-02 / CHEB/ -1.775e-01 -3.238e-02 4.420e-02 1.330e-02 / CHEB/ -2.551e-02 -2.694e-02 -6.815e-03 1.162e-02 /

1146.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-3.5	-2.3	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-4.6	-2.8	-2.3

Chebyshev(coeffs=[[-2.69657,-2.44785,-0.199715,0.00115167],[6.66742,1.32729,-0.203042,-0.0282943],[0.298235,0.649356,0.0753886,-0.0467995],[-0.363978,0.106509,0.106054,-0.0100672],[-0.167169,-0.0461196,0.0372663,0.0166864],[-0.0172888,-0.0286954,-0.0101573,0.0111407]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.93
S298 (cal/mol*K) = -29.94
G298 (kcal/mol) = -0.01

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(170); C5H6(62), C7H10(170); C2H4(115)+C5H6(62)(+M)=>C7H10(170)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.697e+00 -2.448e+00 -1.997e-01 1.152e-03 / CHEB/ 6.667e+00 1.327e+00 -2.030e-01 -2.829e-02 / CHEB/ 2.982e-01 6.494e-01 7.539e-02 -4.680e-02 / CHEB/ -3.640e-01 1.065e-01 1.061e-01 -1.007e-02 / CHEB/ -1.672e-01 -4.612e-02 3.727e-02 1.669e-02 / CHEB/ -1.729e-02 -2.870e-02 -1.016e-02 1.114e-02 /

1147.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-2.0	-0.1	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-2.6	-0.4	+0.7

Chebyshev(coeffs=[[0.634978,-1.63922,-0.0348782,0.0325247],[5.10878,1.10209,-0.21131,-0.0850888],[0.912309,0.428251,0.0474715,-0.0192406],[0.060847,0.0350649,0.0598292,0.0030519],[-0.002903,-0.067984,0.0313815,0.0103147],[0.0116379,-0.055631,0.00324438,0.00948589]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.36
S298 (cal/mol*K) = -38.63
G298 (kcal/mol) = -7.85

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(171); C5H6(62), C7H10(171); C2H4(115)+C5H6(62)(+M)=>C7H10(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.350e-01 -1.639e+00 -3.488e-02 3.252e-02 / CHEB/ 5.109e+00 1.102e+00 -2.113e-01 -8.509e-02 / CHEB/ 9.123e-01 4.283e-01 4.747e-02 -1.924e-02 / CHEB/ 6.085e-02 3.506e-02 5.983e-02 3.052e-03 / CHEB/ -2.903e-03 -6.798e-02 3.138e-02 1.031e-02 / CHEB/ 1.164e-02 -5.563e-02 3.244e-03 9.486e-03 /

1148.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.1	-9.8	-7.9	-7.2
log₁₀(k(10 bar)/[mole,m,s])	-18.9	-10.6	-8.3	-7.4

Chebyshev(coeffs=[[-10.504,-2.28512,-0.268644,0.0155894],[9.2472,1.54031,-0.115181,-0.0671989],[0.219349,0.538875,0.133588,-0.042215],[-0.227771,0.000134925,0.0982392,0.011467],[-0.154108,-0.0784716,0.0107102,0.0225965],[0.0135502,-0.0269982,-0.0174862,0.00633763]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.39
S298 (cal/mol*K) = -34.84
G298 (kcal/mol) = 22.77

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(172); C5H6(62), C7H10(172); C2H4(115)+C5H6(62)(+M)=>C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.050e+01 -2.285e+00 -2.686e-01 1.559e-02 / CHEB/ 9.247e+00 1.540e+00 -1.152e-01 -6.720e-02 / CHEB/ 2.193e-01 5.389e-01 1.336e-01 -4.222e-02 / CHEB/ -2.278e-01 1.349e-04 9.824e-02 1.147e-02 / CHEB/ -1.541e-01 -7.847e-02 1.071e-02 2.260e-02 / CHEB/ 1.355e-02 -2.700e-02 -1.749e-02 6.338e-03 /

1149.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-8.1	-6.5	-6.0
log₁₀(k(10 bar)/[mole,m,s])	-16.8	-9.0	-6.9	-6.2

Chebyshev(coeffs=[[-8.53615,-2.34964,-0.245321,0.0103438],[8.60616,1.49356,-0.148603,-0.0532009],[0.159394,0.577182,0.116863,-0.0462625],[-0.306561,0.0338284,0.103205,0.00429339],[-0.13142,-0.0703924,0.0198009,0.0215395],[-0.00645332,-0.0292439,-0.015987,0.00833795]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.57
S298 (cal/mol*K) = -33.37
G298 (kcal/mol) = 13.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(173); C5H6(62), C7H10(173); C2H4(115)+C5H6(62)(+M)=>C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.536e+00 -2.350e+00 -2.453e-01 1.034e-02 / CHEB/ 8.606e+00 1.494e+00 -1.486e-01 -5.320e-02 / CHEB/ 1.594e-01 5.772e-01 1.169e-01 -4.626e-02 / CHEB/ -3.066e-01 3.383e-02 1.032e-01 4.293e-03 / CHEB/ -1.314e-01 -7.039e-02 1.980e-02 2.154e-02 / CHEB/ -6.453e-03 -2.924e-02 -1.599e-02 8.338e-03 /

1150.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-5.6	-3.3	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-6.4	-3.5	-1.9

Chebyshev(coeffs=[[-3.68015,-2.27054,-0.106152,0.0102702],[6.45831,1.54081,-0.113822,-0.013243],[1.05656,0.787976,0.0667098,-0.0521576],[0.083599,0.0974389,0.0680297,-0.0277616],[0.0602007,-0.145912,0.013772,0.0120406],[0.0748611,-0.138743,-0.0146605,0.0235331]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.56
S298 (cal/mol*K) = -38.75
G298 (kcal/mol) = -0.01

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(174); C5H6(62), C7H10(174); C2H4(115)+C5H6(62)(+M)=>C7H10(174)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.680e+00 -2.271e+00 -1.062e-01 1.027e-02 / CHEB/ 6.458e+00 1.541e+00 -1.138e-01 -1.324e-02 / CHEB/ 1.057e+00 7.880e-01 6.671e-02 -5.216e-02 / CHEB/ 8.360e-02 9.744e-02 6.803e-02 -2.776e-02 / CHEB/ 6.020e-02 -1.459e-01 1.377e-02 1.204e-02 / CHEB/ 7.486e-02 -1.387e-01 -1.466e-02 2.353e-02 /

1151.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	-8.2	-5.0	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-17.3	-8.8	-5.1	-3.1

Chebyshev(coeffs=[[-8.37106,-2.18934,-0.19309,0.0237856],[9.88048,1.72632,-0.0506918,-0.0426587],[0.991756,0.635715,0.143264,-0.0458228],[0.228239,-0.0313602,0.0742624,-0.00175459],[0.110805,-0.171979,-0.0178174,0.0185775],[0.0413453,-0.104992,-0.0324425,0.0134839]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.74
S298 (cal/mol*K) = -33.13
G298 (kcal/mol) = 19.61

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(175); C5H6(62), C7H10(175); C2H4(115)+C5H6(62)(+M)=>C7H10(175)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.371e+00 -2.189e+00 -1.931e-01 2.379e-02 / CHEB/ 9.880e+00 1.726e+00 -5.069e-02 -4.266e-02 / CHEB/ 9.918e-01 6.357e-01 1.433e-01 -4.582e-02 / CHEB/ 2.282e-01 -3.136e-02 7.426e-02 -1.755e-03 / CHEB/ 1.108e-01 -1.720e-01 -1.782e-02 1.858e-02 / CHEB/ 4.135e-02 -1.050e-01 -3.244e-02 1.348e-02 /

1152.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-7.6	-6.3	-5.9
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-8.6	-6.7	-6.2

Chebyshev(coeffs=[[-7.41996,-2.40323,-0.22074,0.00444567],[7.59317,1.42593,-0.179456,-0.0387921],[0.213022,0.615598,0.0979789,-0.0482022],[-0.339755,0.0682459,0.106276,-0.00301456],[-0.150415,-0.0605994,0.0284883,0.0197851],[-0.0111691,-0.0301181,-0.0136206,0.00997739]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.57
S298 (cal/mol*K) = -33.37
G298 (kcal/mol) = 13.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(176); C5H6(62), C7H10(176); C2H4(115)+C5H6(62)(+M)=>C7H10(176)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.420e+00 -2.403e+00 -2.207e-01 4.446e-03 / CHEB/ 7.593e+00 1.426e+00 -1.795e-01 -3.879e-02 / CHEB/ 2.130e-01 6.156e-01 9.798e-02 -4.820e-02 / CHEB/ -3.398e-01 6.825e-02 1.063e-01 -3.015e-03 / CHEB/ -1.504e-01 -6.060e-02 2.849e-02 1.979e-02 / CHEB/ -1.117e-02 -3.012e-02 -1.362e-02 9.977e-03 /

1153.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.8	-9.5	-7.7	-7.1
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-10.3	-8.1	-7.3

Chebyshev(coeffs=[[-10.3549,-2.29786,-0.267521,0.0157178],[9.39499,1.52845,-0.11883,-0.0661004],[0.122624,0.544423,0.129781,-0.0427573],[-0.281313,0.00827824,0.0986547,0.01018],[-0.116995,-0.0755688,0.0129304,0.0221113],[-0.00396761,-0.0271482,-0.0172155,0.00674554]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.39
S298 (cal/mol*K) = -34.84
G298 (kcal/mol) = 22.77

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(177); C5H6(62), C7H10(177); C2H4(115)+C5H6(62)(+M)=>C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.035e+01 -2.298e+00 -2.675e-01 1.572e-02 / CHEB/ 9.395e+00 1.528e+00 -1.188e-01 -6.610e-02 / CHEB/ 1.226e-01 5.444e-01 1.298e-01 -4.276e-02 / CHEB/ -2.813e-01 8.278e-03 9.865e-02 1.018e-02 / CHEB/ -1.170e-01 -7.557e-02 1.293e-02 2.211e-02 / CHEB/ -3.968e-03 -2.715e-02 -1.722e-02 6.746e-03 /

1154.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-7.3	-5.9	-5.5
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-8.3	-6.3	-5.7

Chebyshev(coeffs=[[-7.27479,-2.39505,-0.224599,0.00529464],[7.84937,1.4393,-0.1748,-0.0409746],[0.222086,0.609379,0.101373,-0.0480985],[-0.328649,0.0622725,0.105973,-0.00180051],[-0.145384,-0.0625203,0.0270289,0.0201646],[-0.00959896,-0.0301206,-0.0140857,0.00973257]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.77
S298 (cal/mol*K) = -33.79
G298 (kcal/mol) = 15.84

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(178); C5H6(62), C7H10(178); C2H4(115)+C5H6(62)(+M)=>C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.275e+00 -2.395e+00 -2.246e-01 5.295e-03 / CHEB/ 7.849e+00 1.439e+00 -1.748e-01 -4.097e-02 / CHEB/ 2.221e-01 6.094e-01 1.014e-01 -4.810e-02 / CHEB/ -3.286e-01 6.227e-02 1.060e-01 -1.801e-03 / CHEB/ -1.454e-01 -6.252e-02 2.703e-02 2.016e-02 / CHEB/ -9.599e-03 -3.012e-02 -1.409e-02 9.733e-03 /

1155.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.4	-7.8	-4.7	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-8.2	-4.8	-3.0

Chebyshev(coeffs=[[-8.16185,-2.00166,-0.118625,0.03285],[10.0068,1.69958,-0.0818928,-0.0617496],[0.917273,0.428421,0.0617929,-0.0527006],[0.16182,-0.102156,0.0669046,0.0118176],[0.0676471,-0.13959,0.0099459,0.029751],[0.00767039,-0.0521718,-0.0145514,0.0122828]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.74
S298 (cal/mol*K) = -33.13
G298 (kcal/mol) = 19.61

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(179); C5H6(62), C7H10(179); C2H4(115)+C5H6(62)(+M)=>C7H10(179)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.162e+00 -2.002e+00 -1.186e-01 3.285e-02 / CHEB/ 1.001e+01 1.700e+00 -8.189e-02 -6.175e-02 / CHEB/ 9.173e-01 4.284e-01 6.179e-02 -5.270e-02 / CHEB/ 1.618e-01 -1.022e-01 6.690e-02 1.182e-02 / CHEB/ 6.765e-02 -1.396e-01 9.946e-03 2.975e-02 / CHEB/ 7.670e-03 -5.217e-02 -1.455e-02 1.228e-02 /

1156.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	-7.4	-6.0	-5.7
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-8.4	-6.5	-6.0

Chebyshev(coeffs=[[-7.09955,-2.41442,-0.21542,0.00336988],[7.45218,1.40539,-0.185732,-0.0358871],[0.250205,0.624258,0.0929675,-0.0481819],[-0.340882,0.0769289,0.106552,-0.00473323],[-0.152733,-0.0576447,0.0305699,0.0191809],[-0.0118014,-0.0300053,-0.0129062,0.0103036]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.77
S298 (cal/mol*K) = -33.79
G298 (kcal/mol) = 15.84

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(180); C5H6(62), C7H10(180); C2H4(115)+C5H6(62)(+M)=>C7H10(180)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.100e+00 -2.414e+00 -2.154e-01 3.370e-03 / CHEB/ 7.452e+00 1.405e+00 -1.857e-01 -3.589e-02 / CHEB/ 2.502e-01 6.243e-01 9.297e-02 -4.818e-02 / CHEB/ -3.409e-01 7.693e-02 1.066e-01 -4.733e-03 / CHEB/ -1.527e-01 -5.764e-02 3.057e-02 1.918e-02 / CHEB/ -1.180e-02 -3.001e-02 -1.291e-02 1.030e-02 /

1157.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-3.3	-2.2	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-4.4	-2.7	-2.3

Chebyshev(coeffs=[[-2.46014,-2.45405,-0.196977,0.000950366],[6.51205,1.31056,-0.205822,-0.0271335],[0.305055,0.65332,0.0718031,-0.046342],[-0.368157,0.112455,0.105692,-0.0110138],[-0.17007,-0.0435382,0.0385292,0.0161113],[-0.0185584,-0.0282732,-0.0095521,0.0112555]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.63
S298 (cal/mol*K) = -27.08
G298 (kcal/mol) = 11.70

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(181); C5H6(62), C7H10(181); C2H4(115)+C5H6(62)(+M)=>C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.460e+00 -2.454e+00 -1.970e-01 9.504e-04 / CHEB/ 6.512e+00 1.311e+00 -2.058e-01 -2.713e-02 / CHEB/ 3.051e-01 6.533e-01 7.180e-02 -4.634e-02 / CHEB/ -3.682e-01 1.125e-01 1.057e-01 -1.101e-02 / CHEB/ -1.701e-01 -4.354e-02 3.853e-02 1.611e-02 / CHEB/ -1.856e-02 -2.827e-02 -9.552e-03 1.126e-02 /

1158.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-2.9	-0.9	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-3.7	-1.2	-0.3

Chebyshev(coeffs=[[-4.16637,-2.23925,-0.288638,0.0198193],[10.0749,1.55237,-0.0879409,-0.0775021],[0.160194,0.510076,0.141869,-0.038191],[-0.248157,-0.0165172,0.0927309,0.0159406],[-0.132556,-0.0783716,0.00575355,0.0220832],[-0.012935,-0.0235562,-0.0179038,0.00486441]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.48
S298 (cal/mol*K) = -19.42
G298 (kcal/mol) = 10.26

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(182); C5H6(62), C7H10(182); C2H4(115)+C5H6(62)(+M)=>C7H10(182)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.166e+00 -2.239e+00 -2.886e-01 1.982e-02 / CHEB/ 1.007e+01 1.552e+00 -8.794e-02 -7.750e-02 / CHEB/ 1.602e-01 5.101e-01 1.419e-01 -3.819e-02 / CHEB/ -2.482e-01 -1.652e-02 9.273e-02 1.594e-02 / CHEB/ -1.326e-01 -7.837e-02 5.754e-03 2.208e-02 / CHEB/ -1.294e-02 -2.356e-02 -1.790e-02 4.864e-03 /

1159.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-2.9	-0.9	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-3.7	-1.2	-0.3

H298 (kcal/mol) = 4.48
S298 (cal/mol*K) = -20.80
G298 (kcal/mol) = 10.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(183); C5H6(62), C7H10(183); C2H4(115)+C5H6(62)(+M)=>C7H10(183)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.166e+00 -2.239e+00 -2.886e-01 1.982e-02 / CHEB/ 1.007e+01 1.552e+00 -8.794e-02 -7.750e-02 / CHEB/ 1.602e-01 5.101e-01 1.419e-01 -3.819e-02 / CHEB/ -2.482e-01 -1.652e-02 9.273e-02 1.594e-02 / CHEB/ -1.326e-01 -7.837e-02 5.754e-03 2.208e-02 / CHEB/ -1.294e-02 -2.356e-02 -1.790e-02 4.864e-03 /

1160.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-0.7	+2.2	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-1.1	+2.1	+3.7

Chebyshev(coeffs=[[-0.47257,-1.35184,-0.126678,0.00651992],[8.94519,1.05856,-0.110119,-0.0639482],[1.12893,0.279719,0.102968,-0.0150577],[0.156094,-0.0571201,0.0573647,0.0145752],[0.00952514,-0.0676085,0.00764016,0.0185351],[-0.0193885,-0.0184663,-0.0104531,0.00601039]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.60
S298 (cal/mol*K) = -19.81
G298 (kcal/mol) = 11.50

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(184); C5H6(62), C7H10(184); C2H4(115)+C5H6(62)(+M)=>C7H10(184)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.726e-01 -1.352e+00 -1.267e-01 6.520e-03 / CHEB/ 8.945e+00 1.059e+00 -1.101e-01 -6.395e-02 / CHEB/ 1.129e+00 2.797e-01 1.030e-01 -1.506e-02 / CHEB/ 1.561e-01 -5.712e-02 5.736e-02 1.458e-02 / CHEB/ 9.525e-03 -6.761e-02 7.640e-03 1.854e-02 / CHEB/ -1.939e-02 -1.847e-02 -1.045e-02 6.010e-03 /

1161.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-7.4	-5.7	-5.2
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-8.3	-6.1	-5.4

Chebyshev(coeffs=[[-7.93405,-2.33009,-0.253873,0.0124715],[8.85539,1.50929,-0.137314,-0.0582583],[0.129651,0.564414,0.1222,-0.0450514],[-0.300629,0.0234928,0.10162,0.00662773],[-0.127003,-0.0727153,0.0170647,0.0218513],[-0.00584251,-0.0285479,-0.0165425,0.00773449]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.86
S298 (cal/mol*K) = -38.61
G298 (kcal/mol) = 22.37

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(185); C5H6(62), C7H10(185); C2H4(115)+C5H6(62)(+M)=>C7H10(185)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.934e+00 -2.330e+00 -2.539e-01 1.247e-02 / CHEB/ 8.855e+00 1.509e+00 -1.373e-01 -5.826e-02 / CHEB/ 1.297e-01 5.644e-01 1.222e-01 -4.505e-02 / CHEB/ -3.006e-01 2.349e-02 1.016e-01 6.628e-03 / CHEB/ -1.270e-01 -7.272e-02 1.706e-02 2.185e-02 / CHEB/ -5.843e-03 -2.855e-02 -1.654e-02 7.734e-03 /

1162.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-3.7	-3.3	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-5.0	-4.0	-4.0

Chebyshev(coeffs=[[-1.4092,-2.54737,-0.16949,0.00240831],[4.09901,1.0784,-0.2268,-0.0158129],[0.140993,0.656045,0.0246821,-0.0390771],[-0.426879,0.188843,0.0929697,-0.0190459],[-0.218642,-0.000134002,0.0520458,0.00722401],[-0.0429598,-0.0176396,9.50383e-05,0.0108586]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.26
S298 (cal/mol*K) = -47.82
G298 (kcal/mol) = 1.99

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(186); C5H6(62), C7H10(186); C2H4(115)+C5H6(62)(+M)=>C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.409e+00 -2.547e+00 -1.695e-01 2.408e-03 / CHEB/ 4.099e+00 1.078e+00 -2.268e-01 -1.581e-02 / CHEB/ 1.410e-01 6.560e-01 2.468e-02 -3.908e-02 / CHEB/ -4.269e-01 1.888e-01 9.297e-02 -1.905e-02 / CHEB/ -2.186e-01 -1.340e-04 5.205e-02 7.224e-03 / CHEB/ -4.296e-02 -1.764e-02 9.504e-05 1.086e-02 /

1163.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-3.0	-0.8	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-3.4	-1.0	-0.0

Chebyshev(coeffs=[[-3.1096,-1.08617,-0.294631,-0.0582102],[8.95631,0.749085,0.0875434,-0.000751944],[0.223867,0.162502,0.0415864,-0.0178865],[-0.0300999,-0.0111368,0.0289199,0.00124169],[-0.0518784,-0.0139267,0.0148738,0.0126275],[-0.0297036,-0.00536808,0.00083752,0.00744916]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.51
S298 (cal/mol*K) = -7.43
G298 (kcal/mol) = 27.73

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H5(156); C2H4(115), C3H5(129); C2H4(115)+C5H6(62)(+M)=>C4H5(156)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.110e+00 -1.086e+00 -2.946e-01 -5.821e-02 / CHEB/ 8.956e+00 7.491e-01 8.754e-02 -7.519e-04 / CHEB/ 2.239e-01 1.625e-01 4.159e-02 -1.789e-02 / CHEB/ -3.010e-02 -1.114e-02 2.892e-02 1.242e-03 / CHEB/ -5.188e-02 -1.393e-02 1.487e-02 1.263e-02 / CHEB/ -2.970e-02 -5.368e-03 8.375e-04 7.449e-03 /

1164.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-6.4	-3.4	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-6.8	-3.5	-2.0

Chebyshev(coeffs=[[-8.58862,-0.946434,-0.306005,-0.0473235],[12.2436,0.65967,0.119233,-0.0181563],[0.348232,0.14125,0.0480946,-0.00994462],[0.0317286,-0.0182094,0.0221666,0.00868086],[-0.0302887,-0.0134872,0.00746066,0.0113555],[-0.0277823,-0.0036355,-0.00109554,0.00462058]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.33
S298 (cal/mol*K) = -17.08
G298 (kcal/mol) = 40.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(187); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.589e+00 -9.464e-01 -3.060e-01 -4.732e-02 / CHEB/ 1.224e+01 6.597e-01 1.192e-01 -1.816e-02 / CHEB/ 3.482e-01 1.412e-01 4.809e-02 -9.945e-03 / CHEB/ 3.173e-02 -1.821e-02 2.217e-02 8.681e-03 / CHEB/ -3.029e-02 -1.349e-02 7.461e-03 1.136e-02 / CHEB/ -2.778e-02 -3.635e-03 -1.096e-03 4.621e-03 /

1165.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-4.4	-1.9	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-4.8	-2.1	-0.8

Chebyshev(coeffs=[[-4.44795,-1.15278,-0.292575,-0.0688388],[9.09832,0.786707,0.0786166,0.0140107],[0.549714,0.173094,0.0351274,-0.0207513],[0.0456339,-0.00611442,0.0301656,-0.00384554],[-0.0271027,-0.0130692,0.0192768,0.0123166],[-0.0175871,-0.0059564,0.00274105,0.00883986]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.23
S298 (cal/mol*K) = -24.63
G298 (kcal/mol) = 29.57

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(188); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(188)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.448e+00 -1.153e+00 -2.926e-01 -6.884e-02 / CHEB/ 9.098e+00 7.867e-01 7.862e-02 1.401e-02 / CHEB/ 5.497e-01 1.731e-01 3.513e-02 -2.075e-02 / CHEB/ 4.563e-02 -6.114e-03 3.017e-02 -3.846e-03 / CHEB/ -2.710e-02 -1.307e-02 1.928e-02 1.232e-02 / CHEB/ -1.759e-02 -5.956e-03 2.741e-03 8.840e-03 /

1166.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.3	-7.7	-4.0	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-19.0	-7.9	-4.1	-2.3

Chebyshev(coeffs=[[-11.5152,-0.804566,-0.311157,-0.0512298],[14.906,0.56154,0.149287,-0.0157586],[0.294866,0.119926,0.0479998,-0.00233806],[0.0274556,-0.0223458,0.0132901,0.0119089],[-0.0320933,-0.0109479,0.00257973,0.00862462],[-0.032895,-0.00144445,-0.00125218,0.00221688]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.83
S298 (cal/mol*K) = -16.43
G298 (kcal/mol) = 49.72

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(189); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(189)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.152e+01 -8.046e-01 -3.112e-01 -5.123e-02 / CHEB/ 1.491e+01 5.615e-01 1.493e-01 -1.576e-02 / CHEB/ 2.949e-01 1.199e-01 4.800e-02 -2.338e-03 / CHEB/ 2.746e-02 -2.235e-02 1.329e-02 1.191e-02 / CHEB/ -3.209e-02 -1.095e-02 2.580e-03 8.625e-03 / CHEB/ -3.290e-02 -1.444e-03 -1.252e-03 2.217e-03 /

1167.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-6.3	-3.4	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-6.7	-3.5	-2.0

Chebyshev(coeffs=[[-7.77564,-1.01111,-0.299205,-0.050513],[11.2579,0.70974,0.104299,-0.0120284],[0.469098,0.15008,0.0471103,-0.013592],[0.0663234,-0.0166622,0.025886,0.00605719],[-0.0299814,-0.0145211,0.010112,0.0123892],[0.00357191,-0.0051638,-0.000843089,0.00579172]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.03
S298 (cal/mol*K) = -24.75
G298 (kcal/mol) = 37.40

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(190); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(190)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.776e+00 -1.011e+00 -2.992e-01 -5.051e-02 / CHEB/ 1.126e+01 7.097e-01 1.043e-01 -1.203e-02 / CHEB/ 4.691e-01 1.501e-01 4.711e-02 -1.359e-02 / CHEB/ 6.632e-02 -1.666e-02 2.589e-02 6.057e-03 / CHEB/ -2.998e-02 -1.452e-02 1.011e-02 1.239e-02 / CHEB/ 3.572e-03 -5.164e-03 -8.431e-04 5.792e-03 /

1168.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-9.8	-5.7	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-10.0	-5.8	-3.8

Chebyshev(coeffs=[[-14.8716,-0.714912,-0.30544,-0.0582859],[16.8435,0.497979,0.160004,-0.0070828],[0.276004,0.10601,0.0457422,0.00181996],[0.0231472,-0.0236435,0.00797108,0.0120558],[-0.0347189,-0.008553,0.000848547,0.00649962],[-0.0361507,-7.56216e-06,-0.000851332,0.00105804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.33
S298 (cal/mol*K) = -19.13
G298 (kcal/mol) = 57.03

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(191); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(191)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.487e+01 -7.149e-01 -3.054e-01 -5.829e-02 / CHEB/ 1.684e+01 4.980e-01 1.600e-01 -7.083e-03 / CHEB/ 2.760e-01 1.060e-01 4.574e-02 1.820e-03 / CHEB/ 2.315e-02 -2.364e-02 7.971e-03 1.206e-02 / CHEB/ -3.472e-02 -8.553e-03 8.485e-04 6.500e-03 / CHEB/ -3.615e-02 -7.562e-06 -8.513e-04 1.058e-03 /

1169.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-9.8	-5.7	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-10.0	-5.8	-3.8

H298 (kcal/mol) = 51.33
S298 (cal/mol*K) = -19.13
G298 (kcal/mol) = 57.03

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(192); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.487e+01 -7.149e-01 -3.054e-01 -5.829e-02 / CHEB/ 1.684e+01 4.980e-01 1.600e-01 -7.083e-03 / CHEB/ 2.760e-01 1.060e-01 4.574e-02 1.820e-03 / CHEB/ 2.315e-02 -2.364e-02 7.971e-03 1.206e-02 / CHEB/ -3.472e-02 -8.553e-03 8.485e-04 6.500e-03 / CHEB/ -3.615e-02 -7.562e-06 -8.513e-04 1.058e-03 /

1170.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-5.7	-2.4	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-6.0	-2.5	-0.9

Chebyshev(coeffs=[[-9.03671,-0.821567,-0.309896,-0.0493779],[14.02,0.579004,0.148022,-0.0162025],[0.200827,0.125419,0.0503979,-0.00223778],[0.00549775,-0.020312,0.0155752,0.0123548],[-0.0359734,-0.0105365,0.00368283,0.00941953],[-0.0327213,-0.00144714,-0.00107925,0.00264088]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.83
S298 (cal/mol*K) = -7.70
G298 (kcal/mol) = 43.12

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(193); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>C6H8(193)+CH2(137)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.037e+00 -8.216e-01 -3.099e-01 -4.938e-02 / CHEB/ 1.402e+01 5.790e-01 1.480e-01 -1.620e-02 / CHEB/ 2.008e-01 1.254e-01 5.040e-02 -2.238e-03 / CHEB/ 5.498e-03 -2.031e-02 1.558e-02 1.235e-02 / CHEB/ -3.597e-02 -1.054e-02 3.683e-03 9.420e-03 / CHEB/ -3.272e-02 -1.447e-03 -1.079e-03 2.641e-03 /

1171.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-1.3	+0.1	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-1.9	-0.2	+0.6

Chebyshev(coeffs=[[1.11497,-1.36922,-0.328412,-0.0844827],[5.00177,0.870849,0.105003,0.0257283],[0.586617,0.199407,0.00301163,-0.00473653],[-0.0394597,0.0236623,0.0173749,-0.0197179],[-0.0478943,0.000169885,0.0322328,0.00215842],[-0.0128296,-0.0047069,0.014342,0.0105293]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.25
S298 (cal/mol*K) = -37.91
G298 (kcal/mol) = 8.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(194); C5H6(62), C7H10(194); C2H4(115)+C5H6(62)(+M)=>C7H10(194)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.115e+00 -1.369e+00 -3.284e-01 -8.448e-02 / CHEB/ 5.002e+00 8.708e-01 1.050e-01 2.573e-02 / CHEB/ 5.866e-01 1.994e-01 3.012e-03 -4.737e-03 / CHEB/ -3.946e-02 2.366e-02 1.737e-02 -1.972e-02 / CHEB/ -4.789e-02 1.699e-04 3.223e-02 2.158e-03 / CHEB/ -1.283e-02 -4.707e-03 1.434e-02 1.053e-02 /

1172.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-1.3	+0.3	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-1.8	-0.0	+0.8

Chebyshev(coeffs=[[1.12885,-1.36802,-0.32814,-0.084572],[5.13709,0.87061,0.104829,0.0259237],[0.612689,0.199336,0.00311936,-0.00490471],[-0.0315507,0.0234467,0.0175235,-0.0196927],[-0.0452991,2.77748e-05,0.0322079,0.00225148],[-0.0119676,-0.00474751,0.0142624,0.0105521]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.85
S298 (cal/mol*K) = -37.27
G298 (kcal/mol) = 8.26

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(195); C5H6(62), C7H10(195); C2H4(115)+C5H6(62)(+M)=>C7H10(195)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.129e+00 -1.368e+00 -3.281e-01 -8.457e-02 / CHEB/ 5.137e+00 8.706e-01 1.048e-01 2.592e-02 / CHEB/ 6.127e-01 1.993e-01 3.119e-03 -4.905e-03 / CHEB/ -3.155e-02 2.345e-02 1.752e-02 -1.969e-02 / CHEB/ -4.530e-02 2.777e-05 3.221e-02 2.251e-03 / CHEB/ -1.197e-02 -4.748e-03 1.426e-02 1.055e-02 /

1173.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-2.3	-0.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-2.7	-0.5	+0.6

Chebyshev(coeffs=[[-1.01454,-1.2708,-0.305193,-0.0861129],[6.99191,0.839779,0.0854704,0.0343282],[0.629518,0.191628,0.0171558,-0.0180368],[0.0163622,0.00720803,0.0266977,-0.0140704],[-0.0346097,-0.00850765,0.0277179,0.00872089],[-0.0131941,-0.00623895,0.00821114,0.0107939]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.25
S298 (cal/mol*K) = -37.91
G298 (kcal/mol) = 8.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(196); C5H6(62), C7H10(196); C2H4(115)+C5H6(62)(+M)=>C7H10(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.015e+00 -1.271e+00 -3.052e-01 -8.611e-02 / CHEB/ 6.992e+00 8.398e-01 8.547e-02 3.433e-02 / CHEB/ 6.295e-01 1.916e-01 1.716e-02 -1.804e-02 / CHEB/ 1.636e-02 7.208e-03 2.670e-02 -1.407e-02 / CHEB/ -3.461e-02 -8.508e-03 2.772e-02 8.721e-03 / CHEB/ -1.319e-02 -6.239e-03 8.211e-03 1.079e-02 /

1174.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-1.5	+0.2	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-2.0	-0.1	+0.9

Chebyshev(coeffs=[[1.23776,-0.89939,-0.0743395,0.00102351],[4.87704,0.372133,-0.147694,-0.0396848],[0.768777,0.287107,0.0288566,-0.0168901],[0.0447999,0.0723915,0.050687,-0.00508805],[-0.0140102,-0.0115922,0.0299534,0.00513773],[-0.00383255,-0.0189297,0.00531151,0.00700566]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.85
S298 (cal/mol*K) = -37.27
G298 (kcal/mol) = 8.26

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(197); C5H6(62), C7H10(197); C2H4(115)+C5H6(62)(+M)=>C7H10(197)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.238e+00 -8.994e-01 -7.434e-02 1.024e-03 / CHEB/ 4.877e+00 3.721e-01 -1.477e-01 -3.968e-02 / CHEB/ 7.688e-01 2.871e-01 2.886e-02 -1.689e-02 / CHEB/ 4.480e-02 7.239e-02 5.069e-02 -5.088e-03 / CHEB/ -1.401e-02 -1.159e-02 2.995e-02 5.138e-03 / CHEB/ -3.833e-03 -1.893e-02 5.312e-03 7.006e-03 /

1175.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-2.3	-0.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-2.7	-0.5	+0.6

H298 (kcal/mol) = -3.25
S298 (cal/mol*K) = -36.54
G298 (kcal/mol) = 7.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(198); C5H6(62), C7H10(198); C2H4(115)+C5H6(62)(+M)=>C7H10(198)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.015e+00 -1.271e+00 -3.052e-01 -8.611e-02 / CHEB/ 6.992e+00 8.398e-01 8.547e-02 3.433e-02 / CHEB/ 6.295e-01 1.916e-01 1.716e-02 -1.804e-02 / CHEB/ 1.636e-02 7.208e-03 2.670e-02 -1.407e-02 / CHEB/ -3.461e-02 -8.508e-03 2.772e-02 8.721e-03 / CHEB/ -1.319e-02 -6.239e-03 8.211e-03 1.079e-02 /

1176.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-2.5	-1.2	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-3.0	-1.5	-0.8

Chebyshev(coeffs=[[0.253993,-1.39823,-0.334781,-0.082271],[4.52724,0.874166,0.108323,0.0211351],[0.563142,0.201705,0.000932645,-0.00107394],[-0.0479557,0.0288178,0.013518,-0.0198714],[-0.0510017,0.00409509,0.0325206,-0.000163259],[-0.0124907,-0.0034605,0.0163097,0.00977248]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.25
S298 (cal/mol*K) = -37.91
G298 (kcal/mol) = 8.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(199); C5H6(62), C7H10(199); C2H4(115)+C5H6(62)(+M)=>C7H10(199)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.540e-01 -1.398e+00 -3.348e-01 -8.227e-02 / CHEB/ 4.527e+00 8.742e-01 1.083e-01 2.114e-02 / CHEB/ 5.631e-01 2.017e-01 9.326e-04 -1.074e-03 / CHEB/ -4.796e-02 2.882e-02 1.352e-02 -1.987e-02 / CHEB/ -5.100e-02 4.095e-03 3.252e-02 -1.633e-04 / CHEB/ -1.249e-02 -3.460e-03 1.631e-02 9.772e-03 /

1177.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-3.6	-1.9	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-4.1	-2.1	-1.2

Chebyshev(coeffs=[[-1.83815,-1.31359,-0.315049,-0.0873506],[6.07064,0.855073,0.0944348,0.0333796],[0.615183,0.196075,0.00996935,-0.0129619],[-0.0102357,0.0138511,0.0233493,-0.0172355],[-0.0409813,-0.00538211,0.0302256,0.00618204],[-0.0130264,-0.0059103,0.0107675,0.0110187]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.25
S298 (cal/mol*K) = -37.27
G298 (kcal/mol) = 17.36

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(200); C5H6(62), C7H10(200); C2H4(115)+C5H6(62)(+M)=>C7H10(200)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.838e+00 -1.314e+00 -3.150e-01 -8.735e-02 / CHEB/ 6.071e+00 8.551e-01 9.443e-02 3.338e-02 / CHEB/ 6.152e-01 1.961e-01 9.969e-03 -1.296e-02 / CHEB/ -1.024e-02 1.385e-02 2.335e-02 -1.724e-02 / CHEB/ -4.098e-02 -5.382e-03 3.023e-02 6.182e-03 / CHEB/ -1.303e-02 -5.910e-03 1.077e-02 1.102e-02 /

1178.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-3.9	-2.1	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-4.3	-2.4	-1.5

Chebyshev(coeffs=[[-2.00884,-1.31359,-0.315049,-0.0873506],[6.00389,0.855073,0.0944348,0.0333796],[0.600443,0.196075,0.00996935,-0.0129619],[-0.0145754,0.0138511,0.0233493,-0.0172355],[-0.0424182,-0.00538211,0.0302256,0.00618204],[-0.0135326,-0.0059103,0.0107675,0.0110187]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.25
S298 (cal/mol*K) = -37.27
G298 (kcal/mol) = 17.36

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(201); C5H6(62), C7H10(201); C2H4(115)+C5H6(62)(+M)=>C7H10(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.009e+00 -1.314e+00 -3.150e-01 -8.735e-02 / CHEB/ 6.004e+00 8.551e-01 9.443e-02 3.338e-02 / CHEB/ 6.004e-01 1.961e-01 9.969e-03 -1.296e-02 / CHEB/ -1.458e-02 1.385e-02 2.335e-02 -1.724e-02 / CHEB/ -4.242e-02 -5.382e-03 3.023e-02 6.182e-03 / CHEB/ -1.353e-02 -5.910e-03 1.077e-02 1.102e-02 /

1179.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-1.0	+0.5	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-1.6	+0.2	+1.1

Chebyshev(coeffs=[[1.4291,-1.3862,-0.332199,-0.0831941],[5.06167,0.873374,0.107159,0.022998],[0.650107,0.200645,0.0016784,-0.00249571],[-0.0226232,0.026684,0.0151653,-0.0199067],[-0.0423407,0.00236863,0.0324801,0.00080433],[-0.0100289,-0.00404968,0.0154881,0.0101369]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.25
S298 (cal/mol*K) = -35.32
G298 (kcal/mol) = 9.28

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(202); C5H6(62), C7H10(202); C2H4(115)+C5H6(62)(+M)=>C7H10(202)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.429e+00 -1.386e+00 -3.322e-01 -8.319e-02 / CHEB/ 5.062e+00 8.734e-01 1.072e-01 2.300e-02 / CHEB/ 6.501e-01 2.006e-01 1.678e-03 -2.496e-03 / CHEB/ -2.262e-02 2.668e-02 1.517e-02 -1.991e-02 / CHEB/ -4.234e-02 2.369e-03 3.248e-02 8.043e-04 / CHEB/ -1.003e-02 -4.050e-03 1.549e-02 1.014e-02 /

1180.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-2.1	-0.1	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-2.6	-0.4	+0.7

Chebyshev(coeffs=[[-0.733126,-1.28263,-0.307749,-0.0868253],[6.77823,0.844195,0.0877992,0.0346349],[0.636231,0.19305,0.0150975,-0.0168484],[0.0119965,0.00894893,0.0258831,-0.015016],[-0.0354405,-0.00773371,0.028475,0.00808121],[-0.0127867,-0.00618376,0.00889517,0.0108954]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.31
S298 (cal/mol*K) = -33.68
G298 (kcal/mol) = 19.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(203); C5H6(62), C7H10(203); C2H4(115)+C5H6(62)(+M)=>C7H10(203)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.331e-01 -1.283e+00 -3.077e-01 -8.683e-02 / CHEB/ 6.778e+00 8.442e-01 8.780e-02 3.463e-02 / CHEB/ 6.362e-01 1.930e-01 1.510e-02 -1.685e-02 / CHEB/ 1.200e-02 8.949e-03 2.588e-02 -1.502e-02 / CHEB/ -3.544e-02 -7.734e-03 2.847e-02 8.081e-03 / CHEB/ -1.279e-02 -6.184e-03 8.895e-03 1.090e-02 /

1181.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-1.7	+1.4	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-2.0	+1.2	+2.7

Chebyshev(coeffs=[[-3.17148,-1.02108,-0.298996,-0.0512652],[11.3267,0.713045,0.101379,-0.0110552],[0.549543,0.150542,0.0462146,-0.0142756],[0.0697011,-0.0157301,0.0262578,0.00545103],[-0.0522391,-0.0136496,0.0108224,0.0123871],[-0.0326895,-0.00449379,-0.000434923,0.00599893]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.16
S298 (cal/mol*K) = -26.02
G298 (kcal/mol) = 17.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(204); C5H6(62), C7H10(204); C2H4(115)+C5H6(62)(+M)=>C7H10(204)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.171e+00 -1.021e+00 -2.990e-01 -5.127e-02 / CHEB/ 1.133e+01 7.130e-01 1.014e-01 -1.106e-02 / CHEB/ 5.495e-01 1.505e-01 4.621e-02 -1.428e-02 / CHEB/ 6.970e-02 -1.573e-02 2.626e-02 5.451e-03 / CHEB/ -5.224e-02 -1.365e-02 1.082e-02 1.239e-02 / CHEB/ -3.269e-02 -4.494e-03 -4.349e-04 5.999e-03 /

1182.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-1.7	+1.4	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-2.0	+1.2	+2.7

H298 (kcal/mol) = 10.16
S298 (cal/mol*K) = -27.40
G298 (kcal/mol) = 18.32

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(205); C5H6(62), C7H10(205); C2H4(115)+C5H6(62)(+M)=>C7H10(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.171e+00 -1.021e+00 -2.990e-01 -5.127e-02 / CHEB/ 1.133e+01 7.130e-01 1.014e-01 -1.106e-02 / CHEB/ 5.495e-01 1.505e-01 4.621e-02 -1.428e-02 / CHEB/ 6.970e-02 -1.573e-02 2.626e-02 5.451e-03 / CHEB/ -5.224e-02 -1.365e-02 1.082e-02 1.239e-02 / CHEB/ -3.269e-02 -4.494e-03 -4.349e-04 5.999e-03 /

1211.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+3.2	+4.9	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+2.9	+4.7	+5.6

Chebyshev(coeffs=[[5.91302,-0.890932,-0.0249532,0.0300888],[5.03703,0.761555,-0.141451,-0.0459248],[0.650486,-0.0014235,0.0888677,-0.0139114],[0.0612451,0.0237451,0.0272879,0.00887865],[-0.0426405,0.0370222,0.00417616,0.00377097],[-0.0380074,0.00974876,0.0036781,0.000290582]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.96
S298 (cal/mol*K) = 19.86
G298 (kcal/mol) = -3.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(65); H(25), H(25); C7H10(1)+H(25)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.913e+00 -8.909e-01 -2.495e-02 3.009e-02 / CHEB/ 5.037e+00 7.616e-01 -1.415e-01 -4.592e-02 / CHEB/ 6.505e-01 -1.424e-03 8.887e-02 -1.391e-02 / CHEB/ 6.125e-02 2.375e-02 2.729e-02 8.879e-03 / CHEB/ -4.264e-02 3.702e-02 4.176e-03 3.771e-03 / CHEB/ -3.801e-02 9.749e-03 3.678e-03 2.906e-04 /

1212.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.7	-7.3	-2.2	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-22.7	-7.4	-2.2	+0.3

Chebyshev(coeffs=[[-15.3853,-0.0980898,-0.0476205,-0.0110653],[21.691,0.0226488,0.00904058,0.000785599],[0.0390229,0.0407574,0.0160516,-0.000386269],[0.00266566,0.0266772,0.01295,0.00276736],[-0.0147327,0.00661937,0.00611064,0.00401798],[-0.007232,-0.00314887,0.00046072,0.00201983]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.07
S298 (cal/mol*K) = 31.48
G298 (kcal/mol) = 58.69

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(31); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.539e+01 -9.809e-02 -4.762e-02 -1.107e-02 / CHEB/ 2.169e+01 2.265e-02 9.041e-03 7.856e-04 / CHEB/ 3.902e-02 4.076e-02 1.605e-02 -3.863e-04 / CHEB/ 2.666e-03 2.668e-02 1.295e-02 2.767e-03 / CHEB/ -1.473e-02 6.619e-03 6.111e-03 4.018e-03 / CHEB/ -7.232e-03 -3.149e-03 4.607e-04 2.020e-03 /

1213.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.6	-7.1	-1.9	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-22.6	-7.2	-1.9	+0.7

Chebyshev(coeffs=[[-15.2502,-0.0974482,-0.0473368,-0.0110441],[21.8339,0.0233135,0.00930763,0.000765276],[0.0907962,0.040464,0.0158379,-0.000518864],[0.0292284,0.025773,0.0124181,0.00255118],[-9.04245e-05,0.00563995,0.00553733,0.00379285],[0.000654944,-0.00386524,3.6457e-05,0.00185068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.07
S298 (cal/mol*K) = 32.86
G298 (kcal/mol) = 58.28

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(35); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.525e+01 -9.745e-02 -4.734e-02 -1.104e-02 / CHEB/ 2.183e+01 2.331e-02 9.308e-03 7.653e-04 / CHEB/ 9.080e-02 4.046e-02 1.584e-02 -5.189e-04 / CHEB/ 2.923e-02 2.577e-02 1.242e-02 2.551e-03 / CHEB/ -9.042e-05 5.640e-03 5.537e-03 3.793e-03 / CHEB/ 6.549e-04 -3.865e-03 3.646e-05 1.851e-03 /

1214.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-10.3	-4.4	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-10.4	-4.4	-1.4

Chebyshev(coeffs=[[-20.5753,-0.0806956,-0.040796,-0.0103708],[25.0507,0.0227746,0.0103973,0.00157048],[0.086218,0.0365915,0.0154572,0.000693633],[0.0212769,0.0195816,0.00994421,0.00256526],[-0.00603055,0.00235225,0.00367756,0.00338216],[-0.0026136,-0.00364149,-0.000264078,0.00150705]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.62
S298 (cal/mol*K) = 29.77
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(30); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.058e+01 -8.070e-02 -4.080e-02 -1.037e-02 / CHEB/ 2.505e+01 2.277e-02 1.040e-02 1.570e-03 / CHEB/ 8.622e-02 3.659e-02 1.546e-02 6.936e-04 / CHEB/ 2.128e-02 1.958e-02 9.944e-03 2.565e-03 / CHEB/ -6.031e-03 2.352e-03 3.678e-03 3.382e-03 / CHEB/ -2.614e-03 -3.641e-03 -2.641e-04 1.507e-03 /

1215.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-10.3	-4.4	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-10.4	-4.4	-1.4

H298 (kcal/mol) = 78.62
S298 (cal/mol*K) = 29.77
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(29); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.058e+01 -8.070e-02 -4.080e-02 -1.037e-02 / CHEB/ 2.505e+01 2.277e-02 1.040e-02 1.570e-03 / CHEB/ 8.622e-02 3.659e-02 1.546e-02 6.936e-04 / CHEB/ 2.128e-02 1.958e-02 9.944e-03 2.565e-03 / CHEB/ -6.031e-03 2.352e-03 3.678e-03 3.382e-03 / CHEB/ -2.614e-03 -3.641e-03 -2.641e-04 1.507e-03 /

1216.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+1.8	+2.5	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+2.4	+3.2	+3.4

Chebyshev(coeffs=[[6.18545,0.676024,0.105596,0.0260874],[2.16294,1.07045,-0.303487,-0.0260346],[0.23634,0.0481606,0.0442772,-0.018212],[0.0264566,0.0044774,0.0562129,-0.00557636],[-0.107361,0.0241848,0.0188308,0.00155855],[-0.10915,0.0169868,0.00076284,0.00252916]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.66
S298 (cal/mol*K) = -3.18
G298 (kcal/mol) = -17.71

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(283); H(25), C7H11(283); C7H10(1)+H(25)(+M)=>C7H11(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.185e+00 6.760e-01 1.056e-01 2.609e-02 / CHEB/ 2.163e+00 1.070e+00 -3.035e-01 -2.603e-02 / CHEB/ 2.363e-01 4.816e-02 4.428e-02 -1.821e-02 / CHEB/ 2.646e-02 4.477e-03 5.621e-02 -5.576e-03 / CHEB/ -1.074e-01 2.418e-02 1.883e-02 1.559e-03 / CHEB/ -1.092e-01 1.699e-02 7.628e-04 2.529e-03 /

1217.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+3.7	+3.9	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+4.2	+4.6	+4.6

Chebyshev(coeffs=[[8.42052,0.563448,0.123654,0.0334306],[1.54244,1.10666,-0.354047,-0.0357823],[-0.150231,0.0638829,0.0529404,-0.0164781],[-0.0539001,0.0170687,0.0535557,-0.00861122],[-0.0376164,0.0210011,0.0197277,-0.000791293],[-0.0465117,0.0155723,0.00268291,0.00193718]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.87
S298 (cal/mol*K) = 0.22
G298 (kcal/mol) = -23.93

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(284); H(25), C7H11(284); C7H10(1)+H(25)(+M)=>C7H11(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.421e+00 5.634e-01 1.237e-01 3.343e-02 / CHEB/ 1.542e+00 1.107e+00 -3.540e-01 -3.578e-02 / CHEB/ -1.502e-01 6.388e-02 5.294e-02 -1.648e-02 / CHEB/ -5.390e-02 1.707e-02 5.356e-02 -8.611e-03 / CHEB/ -3.762e-02 2.100e-02 1.973e-02 -7.913e-04 / CHEB/ -4.651e-02 1.557e-02 2.683e-03 1.937e-03 /

1218.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+4.4	+5.4	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+4.8	+6.1	+6.5

Chebyshev(coeffs=[[6.68106,0.118358,-0.255686,0.0235759],[4.93204,1.41056,-0.0972391,-0.0868911],[0.148464,0.193296,0.142721,-0.0216449],[-0.113841,0.0391532,0.0614758,0.0157769],[-0.0796149,0.00485852,0.0152369,0.0131097],[-0.045584,-0.00593921,-0.000760504,0.00594901]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = 17.81
G298 (kcal/mol) = -5.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(285); H(25), C7H11(285); C7H10(1)+H(25)(+M)=>C7H11(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.681e+00 1.184e-01 -2.557e-01 2.358e-02 / CHEB/ 4.932e+00 1.411e+00 -9.724e-02 -8.689e-02 / CHEB/ 1.485e-01 1.933e-01 1.427e-01 -2.164e-02 / CHEB/ -1.138e-01 3.915e-02 6.148e-02 1.578e-02 / CHEB/ -7.961e-02 4.859e-03 1.524e-02 1.311e-02 / CHEB/ -4.558e-02 -5.939e-03 -7.605e-04 5.949e-03 /

1219.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+5.0	+5.5	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+4.7	+5.7	+5.9

Chebyshev(coeffs=[[8.61025,-0.752518,-0.0551924,0.0380064],[2.74296,1.42302,-0.369991,-0.0309746],[0.0781062,0.315204,0.0365604,-0.0341316],[-0.151262,0.177251,0.0326417,-0.0133305],[-0.13277,0.098948,0.020959,-0.007786],[-0.0773783,0.0269801,0.0195682,-0.00398077]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = 19.40
G298 (kcal/mol) = -19.00

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(286); H(25), C7H11(286); C7H10(1)+H(25)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.610e+00 -7.525e-01 -5.519e-02 3.801e-02 / CHEB/ 2.743e+00 1.423e+00 -3.700e-01 -3.097e-02 / CHEB/ 7.811e-02 3.152e-01 3.656e-02 -3.413e-02 / CHEB/ -1.513e-01 1.773e-01 3.264e-02 -1.333e-02 / CHEB/ -1.328e-01 9.895e-02 2.096e-02 -7.786e-03 / CHEB/ -7.738e-02 2.698e-02 1.957e-02 -3.981e-03 /

1220.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+3.0	+3.8	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+1.8	+3.3	+4.2

Chebyshev(coeffs=[[6.08433,-3.72897,-0.304318,0.0462345],[3.82416,3.00335,-0.170714,-0.0985838],[0.153609,0.45532,0.227318,-0.00689246],[0.0198174,-0.0114537,0.0968563,0.0142798],[0.0683857,-0.0302337,0.00158829,-0.00154919],[0.0352743,-0.00548291,-0.0161503,-0.00659446]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.20
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = -34.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(287); H(25), C7H11(287); C7H10(1)+H(25)(+M)=>C7H11(287)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.084e+00 -3.729e+00 -3.043e-01 4.623e-02 / CHEB/ 3.824e+00 3.003e+00 -1.707e-01 -9.858e-02 / CHEB/ 1.536e-01 4.553e-01 2.273e-01 -6.892e-03 / CHEB/ 1.982e-02 -1.145e-02 9.686e-02 1.428e-02 / CHEB/ 6.839e-02 -3.023e-02 1.588e-03 -1.549e-03 / CHEB/ 3.527e-02 -5.483e-03 -1.615e-02 -6.594e-03 /

1221.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.1	-12.4	-6.0	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-31.2	-12.4	-6.0	-2.7

Chebyshev(coeffs=[[-23.4539,-0.0732107,-0.0377514,-0.0101984],[26.4857,0.0241458,0.0116459,0.00232723],[0.199284,0.0343696,0.01514,0.00135594],[0.0562246,0.0163929,0.00856604,0.0024476],[0.00676281,0.000414925,0.00244306,0.00289242],[0.00269636,-0.00404135,-0.000753844,0.00113754]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.47
S298 (cal/mol*K) = 23.06
G298 (kcal/mol) = 75.60

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(288); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.345e+01 -7.321e-02 -3.775e-02 -1.020e-02 / CHEB/ 2.649e+01 2.415e-02 1.165e-02 2.327e-03 / CHEB/ 1.993e-01 3.437e-02 1.514e-02 1.356e-03 / CHEB/ 5.622e-02 1.639e-02 8.566e-03 2.448e-03 / CHEB/ 6.763e-03 4.149e-04 2.443e-03 2.892e-03 / CHEB/ 2.696e-03 -4.041e-03 -7.538e-04 1.138e-03 /

1222.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-0.7	+2.9	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-0.5	+3.4	+5.2

Chebyshev(coeffs=[[-11.6605,0.356282,-0.111085,-0.0169007],[16.2313,0.700884,-0.108351,-0.000618056],[-0.0187037,0.411828,-0.0347882,-0.0138459],[-0.195042,0.153637,0.028213,-0.0113803],[-0.0775491,0.00423363,0.0378645,-0.00304132],[-0.0130172,-0.0371496,0.0167518,0.00312453]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.19
S298 (cal/mol*K) = 29.41
G298 (kcal/mol) = 36.42

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H10(65); C7H11(22), H(25); C7H11(22)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.166e+01 3.563e-01 -1.111e-01 -1.690e-02 / CHEB/ 1.623e+01 7.009e-01 -1.084e-01 -6.181e-04 / CHEB/ -1.870e-02 4.118e-01 -3.479e-02 -1.385e-02 / CHEB/ -1.950e-01 1.536e-01 2.821e-02 -1.138e-02 / CHEB/ -7.755e-02 4.234e-03 3.786e-02 -3.041e-03 / CHEB/ -1.302e-02 -3.715e-02 1.675e-02 3.125e-03 /

1223.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-5.1	-1.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-4.9	-0.7	+1.3

Chebyshev(coeffs=[[-16.7033,0.407372,-0.111841,-0.0158025],[17.1946,0.764574,-0.107877,-0.00354571],[0.0567588,0.423727,-0.0214675,-0.0172372],[-0.15434,0.133589,0.0408806,-0.0120495],[-0.0524644,-0.015436,0.0415208,-0.000684411],[0.00050877,-0.0435508,0.0137115,0.00542539]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.23
S298 (cal/mol*K) = 9.55
G298 (kcal/mol) = 40.38

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H10(1); C7H11(22), H(25); C7H11(22)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.670e+01 4.074e-01 -1.118e-01 -1.580e-02 / CHEB/ 1.719e+01 7.646e-01 -1.079e-01 -3.546e-03 / CHEB/ 5.676e-02 4.237e-01 -2.147e-02 -1.724e-02 / CHEB/ -1.543e-01 1.336e-01 4.088e-02 -1.205e-02 / CHEB/ -5.246e-02 -1.544e-02 4.152e-02 -6.844e-04 / CHEB/ 5.088e-04 -4.355e-02 1.371e-02 5.425e-03 /

1224.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.4	-13.2	-5.8	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-12.3	-4.8	-1.0

Chebyshev(coeffs=[[-35.2196,1.49147,-0.228315,-0.0414829],[33.6588,0.425153,0.156862,-0.00164036],[-0.458274,0.0752978,0.0495685,0.0191635],[-0.068858,-0.0317064,-0.00529424,0.00822652],[0.0367137,-0.0311951,-0.0147567,-0.00184759],[0.0261454,-0.00714618,-0.00613148,-0.0036118]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.30
S298 (cal/mol*K) = 41.03
G298 (kcal/mol) = 99.07

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(31); C7H11(22)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.522e+01 1.491e+00 -2.283e-01 -4.148e-02 / CHEB/ 3.366e+01 4.252e-01 1.569e-01 -1.640e-03 / CHEB/ -4.583e-01 7.530e-02 4.957e-02 1.916e-02 / CHEB/ -6.886e-02 -3.171e-02 -5.294e-03 8.227e-03 / CHEB/ 3.671e-02 -3.120e-02 -1.476e-02 -1.848e-03 / CHEB/ 2.615e-02 -7.146e-03 -6.131e-03 -3.612e-03 /

1225.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.3	-13.1	-5.5	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-12.2	-4.6	-0.8

Chebyshev(coeffs=[[-35.1045,1.49147,-0.228315,-0.0414829],[33.7657,0.425153,0.156862,-0.00164036],[-0.434675,0.0752978,0.0495685,0.0191635],[-0.0619102,-0.0317064,-0.00529424,0.00822652],[0.0390141,-0.0311951,-0.0147567,-0.00184759],[0.0269558,-0.00714618,-0.00613148,-0.0036118]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.30
S298 (cal/mol*K) = 42.41
G298 (kcal/mol) = 98.66

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(35); C7H11(22)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.510e+01 1.491e+00 -2.283e-01 -4.148e-02 / CHEB/ 3.377e+01 4.252e-01 1.569e-01 -1.640e-03 / CHEB/ -4.347e-01 7.530e-02 4.957e-02 1.916e-02 / CHEB/ -6.191e-02 -3.171e-02 -5.294e-03 8.227e-03 / CHEB/ 3.901e-02 -3.120e-02 -1.476e-02 -1.848e-03 / CHEB/ 2.696e-02 -7.146e-03 -6.131e-03 -3.612e-03 /

1226.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-42.2	-16.6	-8.2	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-41.5	-15.7	-7.2	-2.9

Chebyshev(coeffs=[[-40.6747,1.62815,-0.1891,-0.0513502],[37.0448,0.327801,0.147093,0.0211665],[-0.362379,0.0438949,0.0330454,0.0178694],[-0.0362216,-0.0301741,-0.0108625,0.00197928],[0.04986,-0.0229821,-0.0130972,-0.00442827],[0.0312221,-0.00346088,-0.00362248,-0.00283214]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 121.85
S298 (cal/mol*K) = 39.32
G298 (kcal/mol) = 110.13

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(30); C7H11(22)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.067e+01 1.628e+00 -1.891e-01 -5.135e-02 / CHEB/ 3.704e+01 3.278e-01 1.471e-01 2.117e-02 / CHEB/ -3.624e-01 4.389e-02 3.305e-02 1.787e-02 / CHEB/ -3.622e-02 -3.017e-02 -1.086e-02 1.979e-03 / CHEB/ 4.986e-02 -2.298e-02 -1.310e-02 -4.428e-03 / CHEB/ 3.122e-02 -3.461e-03 -3.622e-03 -2.832e-03 /

1227.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-42.2	-16.6	-8.2	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-41.5	-15.7	-7.2	-2.9

H298 (kcal/mol) = 121.85
S298 (cal/mol*K) = 39.32
G298 (kcal/mol) = 110.13

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(29); C7H11(22)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.067e+01 1.628e+00 -1.891e-01 -5.135e-02 / CHEB/ 3.704e+01 3.278e-01 1.471e-01 2.117e-02 / CHEB/ -3.624e-01 4.389e-02 3.305e-02 1.787e-02 / CHEB/ -3.622e-02 -3.017e-02 -1.086e-02 1.979e-03 / CHEB/ 4.986e-02 -2.298e-02 -1.310e-02 -4.428e-03 / CHEB/ 3.122e-02 -3.461e-03 -3.622e-03 -2.832e-03 /

1228.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	+2.8	+6.0	+7.1
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+3.0	+6.4	+7.8

Chebyshev(coeffs=[[-7.39364,0.302263,-0.110054,-0.0177185],[14.9085,0.628082,-0.10684,0.00237835],[-0.173517,0.388936,-0.0455115,-0.0101455],[-0.253901,0.167022,0.0153075,-0.00968159],[-0.111967,0.023879,0.0317132,-0.00432322],[-0.0301981,-0.0278503,0.0177454,0.00103864]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.57
S298 (cal/mol*K) = 6.37
G298 (kcal/mol) = 22.67

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(283); C7H11(22)(+M)=>C7H11(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.394e+00 3.023e-01 -1.101e-01 -1.772e-02 / CHEB/ 1.491e+01 6.281e-01 -1.068e-01 2.378e-03 / CHEB/ -1.735e-01 3.889e-01 -4.551e-02 -1.015e-02 / CHEB/ -2.539e-01 1.670e-01 1.531e-02 -9.682e-03 / CHEB/ -1.120e-01 2.388e-02 3.171e-02 -4.323e-03 / CHEB/ -3.020e-02 -2.785e-02 1.775e-02 1.039e-03 /

1229.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+3.9	+6.3	+7.1
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+3.9	+6.6	+7.6

Chebyshev(coeffs=[[-4.91837,0.158525,-0.100134,-0.0212267],[12.7017,0.422214,-0.0844441,0.00738415],[-0.447814,0.302477,-0.0526202,-0.000372042],[-0.267637,0.17901,-0.0102211,-0.00188045],[-0.13199,0.0720911,0.0107799,-0.00264845],[-0.0536394,0.0069412,0.0118629,-0.00197144]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.36
S298 (cal/mol*K) = 9.77
G298 (kcal/mol) = 16.45

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(284); C7H11(22)(+M)=>C7H11(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.918e+00 1.585e-01 -1.001e-01 -2.123e-02 / CHEB/ 1.270e+01 4.222e-01 -8.444e-02 7.384e-03 / CHEB/ -4.478e-01 3.025e-01 -5.262e-02 -3.720e-04 / CHEB/ -2.676e-01 1.790e-01 -1.022e-02 -1.880e-03 / CHEB/ -1.320e-01 7.209e-02 1.078e-02 -2.648e-03 / CHEB/ -5.364e-02 6.941e-03 1.186e-02 -1.971e-03 /

1230.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	+1.3	+5.0	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-11.4	+1.5	+5.5	+7.3

Chebyshev(coeffs=[[-10.4502,0.379472,-0.114279,-0.0141647],[17.2786,0.713055,-0.116371,-0.00302001],[-0.182667,0.401566,-0.0284625,-0.0163241],[-0.192473,0.133443,0.034186,-0.0123316],[-0.0747753,-0.00708932,0.0383143,-0.00178683],[-0.0137508,-0.0375071,0.0140812,0.00440184]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.58
S298 (cal/mol*K) = 27.36
G298 (kcal/mol) = 34.43

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(285); C7H11(22)(+M)=>C7H11(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.045e+01 3.795e-01 -1.143e-01 -1.416e-02 / CHEB/ 1.728e+01 7.131e-01 -1.164e-01 -3.020e-03 / CHEB/ -1.827e-01 4.016e-01 -2.846e-02 -1.632e-02 / CHEB/ -1.925e-01 1.334e-01 3.419e-02 -1.233e-02 / CHEB/ -7.478e-02 -7.089e-03 3.831e-02 -1.787e-03 / CHEB/ -1.375e-02 -3.751e-02 1.408e-02 4.402e-03 /

1231.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	+1.3	+4.4	+5.5
log₁₀(k(10 bar)/[mole,m,s])	-9.4	+1.4	+4.8	+6.2

Chebyshev(coeffs=[[-8.57167,0.266144,-0.108123,-0.0194255],[14.4004,0.585916,-0.0996659,0.00448739],[-0.124185,0.377869,-0.049997,-0.00747028],[-0.229024,0.180172,0.00687053,-0.00783387],[-0.110541,0.0405854,0.026778,-0.00451473],[-0.0343226,-0.0200524,0.0178391,-0.000245019]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.01
S298 (cal/mol*K) = 28.95
G298 (kcal/mol) = 21.38

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(286); C7H11(22)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.572e+00 2.661e-01 -1.081e-01 -1.943e-02 / CHEB/ 1.440e+01 5.859e-01 -9.967e-02 4.487e-03 / CHEB/ -1.242e-01 3.779e-01 -5.000e-02 -7.470e-03 / CHEB/ -2.290e-01 1.802e-01 6.871e-03 -7.834e-03 / CHEB/ -1.105e-01 4.059e-02 2.678e-02 -4.515e-03 / CHEB/ -3.432e-02 -2.005e-02 1.784e-02 -2.450e-04 /

1232.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.4	-7.5	-2.6	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-23.4	-7.0	-1.8	+0.7

Chebyshev(coeffs=[[-22.4907,0.674077,-0.166677,0.00739899],[22.5134,0.867772,-0.0648328,-0.0392575],[-0.223126,0.308423,0.0587722,-0.0293834],[-0.0950303,0.016043,0.0601144,0.00388424],[-0.00348743,-0.0526271,0.0176988,0.0149577],[0.0131623,-0.0308296,-0.00812765,0.00705181]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.03
S298 (cal/mol*K) = 11.83
G298 (kcal/mol) = 5.50

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(287); C7H11(22)(+M)=>C7H11(287)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.249e+01 6.741e-01 -1.667e-01 7.399e-03 / CHEB/ 2.251e+01 8.678e-01 -6.483e-02 -3.926e-02 / CHEB/ -2.231e-01 3.084e-01 5.877e-02 -2.938e-02 / CHEB/ -9.503e-02 1.604e-02 6.011e-02 3.884e-03 / CHEB/ -3.487e-03 -5.263e-02 1.770e-02 1.496e-02 / CHEB/ 1.316e-02 -3.083e-02 -8.128e-03 7.052e-03 /

1233.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-45.4	-18.8	-9.9	-5.3
log₁₀(k(10 bar)/[mole,m,s])	-44.6	-17.8	-8.9	-4.3

Chebyshev(coeffs=[[-43.6279,1.67173,-0.172683,-0.0516988],[38.3988,0.301834,0.143094,0.0276224],[-0.224838,0.032528,0.0268817,0.0166065],[0.00189997,-0.0302898,-0.0127129,-0.000179298],[0.0614765,-0.0196982,-0.0120533,-0.00495931],[0.0363069,-0.00186328,-0.00253324,-0.00234918]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 125.70
S298 (cal/mol*K) = 32.61
G298 (kcal/mol) = 115.98

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(288); C7H11(22)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.363e+01 1.672e+00 -1.727e-01 -5.170e-02 / CHEB/ 3.840e+01 3.018e-01 1.431e-01 2.762e-02 / CHEB/ -2.248e-01 3.253e-02 2.688e-02 1.661e-02 / CHEB/ 1.900e-03 -3.029e-02 -1.271e-02 -1.793e-04 / CHEB/ 6.148e-02 -1.970e-02 -1.205e-02 -4.959e-03 / CHEB/ 3.631e-02 -1.863e-03 -2.533e-03 -2.349e-03 /

1234.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-0.7	+1.2	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-8.1	-0.6	+1.6	+2.6

Chebyshev(coeffs=[[-7.22946,-0.25701,-0.407394,0.016018],[9.03356,1.41709,0.0222485,-0.0776738],[0.112097,0.286991,0.0675715,-0.0197117],[-0.239839,0.0430671,0.020733,-8.62931e-05],[-0.0585747,0.000157816,0.0149814,-0.00451145],[0.00277768,-0.000876358,0.0160333,-0.000650075]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.44
S298 (cal/mol*K) = 4.42
G298 (kcal/mol) = 18.12

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H10(65); C7H11(46), H(25); C7H11(46)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.229e+00 -2.570e-01 -4.074e-01 1.602e-02 / CHEB/ 9.034e+00 1.417e+00 2.225e-02 -7.767e-02 / CHEB/ 1.121e-01 2.870e-01 6.757e-02 -1.971e-02 / CHEB/ -2.398e-01 4.307e-02 2.073e-02 -8.629e-05 / CHEB/ -5.857e-02 1.578e-04 1.498e-02 -4.511e-03 / CHEB/ 2.778e-03 -8.764e-04 1.603e-02 -6.501e-04 /

1235.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.7	-12.3	-6.7	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-30.2	-11.7	-5.9	-3.2

Chebyshev(coeffs=[[-29.7539,1.37319,-0.290054,-0.0573938],[26.1413,0.163957,0.0633226,-0.00118583],[-0.336704,0.175272,0.0561762,-0.0093411],[-0.217777,0.0997986,0.0344775,-0.00286494],[-0.0277701,-0.000719442,0.00933696,0.00783067],[0.0151359,-0.0204602,0.00084781,0.00718307]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.55
S298 (cal/mol*K) = 16.04
G298 (kcal/mol) = 80.77

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(31); C7H11(46)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.975e+01 1.373e+00 -2.901e-01 -5.739e-02 / CHEB/ 2.614e+01 1.640e-01 6.332e-02 -1.186e-03 / CHEB/ -3.367e-01 1.753e-01 5.618e-02 -9.341e-03 / CHEB/ -2.178e-01 9.980e-02 3.448e-02 -2.865e-03 / CHEB/ -2.777e-02 -7.194e-04 9.337e-03 7.831e-03 / CHEB/ 1.514e-02 -2.046e-02 8.478e-04 7.183e-03 /

1236.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.6	-12.1	-6.5	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-30.1	-11.5	-5.7	-2.9

Chebyshev(coeffs=[[-29.6388,1.37319,-0.290054,-0.0573938],[26.2482,0.163957,0.0633226,-0.00118583],[-0.313105,0.175272,0.0561762,-0.0093411],[-0.21083,0.0997986,0.0344775,-0.00286494],[-0.0254697,-0.000719442,0.00933696,0.00783067],[0.0159463,-0.0204602,0.00084781,0.00718307]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.55
S298 (cal/mol*K) = 17.42
G298 (kcal/mol) = 80.36

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(35); C7H11(46)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.964e+01 1.373e+00 -2.901e-01 -5.739e-02 / CHEB/ 2.625e+01 1.640e-01 6.332e-02 -1.186e-03 / CHEB/ -3.131e-01 1.753e-01 5.618e-02 -9.341e-03 / CHEB/ -2.108e-01 9.980e-02 3.448e-02 -2.865e-03 / CHEB/ -2.547e-02 -7.194e-04 9.337e-03 7.831e-03 / CHEB/ 1.595e-02 -2.046e-02 8.478e-04 7.183e-03 /

1237.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.3	-15.5	-9.0	-5.9
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-14.8	-8.2	-5.0

Chebyshev(coeffs=[[-35.0667,1.45788,-0.265335,-0.0632686],[29.4803,0.135508,0.0576842,0.00385812],[-0.246333,0.158739,0.0573453,-0.00390953],[-0.209349,0.0918566,0.0351037,-0.000121791],[-0.0243607,-0.00227001,0.00690206,0.00734112],[0.0217853,-0.0204698,-0.00130707,0.00623138]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.10
S298 (cal/mol*K) = 14.33
G298 (kcal/mol) = 91.83

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(30); C7H11(46)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.507e+01 1.458e+00 -2.653e-01 -6.327e-02 / CHEB/ 2.948e+01 1.355e-01 5.768e-02 3.858e-03 / CHEB/ -2.463e-01 1.587e-01 5.735e-02 -3.910e-03 / CHEB/ -2.093e-01 9.186e-02 3.510e-02 -1.218e-04 / CHEB/ -2.436e-02 -2.270e-03 6.902e-03 7.341e-03 / CHEB/ 2.179e-02 -2.047e-02 -1.307e-03 6.231e-03 /

1238.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.3	-15.5	-9.0	-5.9
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-14.8	-8.2	-5.0

H298 (kcal/mol) = 96.10
S298 (cal/mol*K) = 14.33
G298 (kcal/mol) = 91.83

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(29); C7H11(46)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.507e+01 1.458e+00 -2.653e-01 -6.327e-02 / CHEB/ 2.948e+01 1.355e-01 5.768e-02 3.858e-03 / CHEB/ -2.463e-01 1.587e-01 5.735e-02 -3.910e-03 / CHEB/ -2.093e-01 9.186e-02 3.510e-02 -1.218e-04 / CHEB/ -2.436e-02 -2.270e-03 6.902e-03 7.341e-03 / CHEB/ 2.179e-02 -2.047e-02 -1.307e-03 6.231e-03 /

1239.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+2.8	+4.1	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+2.8	+4.5	+5.1

Chebyshev(coeffs=[[-3.07616,-0.40476,-0.388848,0.0168208],[7.74371,1.45031,-0.0231457,-0.0740339],[-0.0689985,0.325676,0.0609847,-0.024726],[-0.307798,0.0438077,0.0247094,0.00124238],[-0.0912358,-0.0049462,0.0148076,-0.00469695],[-0.00837798,-0.000355226,0.0148175,-0.00237356]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.18
S298 (cal/mol*K) = -18.62
G298 (kcal/mol) = 4.36

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(283); C7H11(46)(+M)=>C7H11(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.076e+00 -4.048e-01 -3.888e-01 1.682e-02 / CHEB/ 7.744e+00 1.450e+00 -2.315e-02 -7.403e-02 / CHEB/ -6.900e-02 3.257e-01 6.098e-02 -2.473e-02 / CHEB/ -3.078e-01 4.381e-02 2.471e-02 1.242e-03 / CHEB/ -9.124e-02 -4.946e-03 1.481e-02 -4.697e-03 / CHEB/ -8.378e-03 -3.552e-04 1.482e-02 -2.374e-03 /

1240.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+3.6	+4.3	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+3.4	+4.5	+4.7

Chebyshev(coeffs=[[-1.05538,-0.817265,-0.318355,0.00835901],[5.7767,1.45295,-0.13415,-0.0460471],[-0.36802,0.471511,0.0173869,-0.0329832],[-0.361592,0.086979,0.038044,-0.0018078],[-0.132513,-0.00452729,0.0166967,-0.0023007],[-0.0253899,-0.00331761,0.0108239,-0.00466755]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.39
S298 (cal/mol*K) = -15.22
G298 (kcal/mol) = -1.86

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(284); C7H11(46)(+M)=>C7H11(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.055e+00 -8.173e-01 -3.184e-01 8.359e-03 / CHEB/ 5.777e+00 1.453e+00 -1.341e-01 -4.605e-02 / CHEB/ -3.680e-01 4.715e-01 1.739e-02 -3.298e-02 / CHEB/ -3.616e-01 8.698e-02 3.804e-02 -1.808e-03 / CHEB/ -1.325e-01 -4.527e-03 1.670e-02 -2.301e-03 / CHEB/ -2.539e-02 -3.318e-03 1.082e-02 -4.668e-03 /

1241.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	+1.2	+3.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-6.6	+1.4	+3.7	+4.7

Chebyshev(coeffs=[[-5.86994,-0.0675713,-0.458423,0.0162727],[9.88672,1.2144,0.0942154,-0.0825656],[0.0134654,0.27949,0.0485979,-0.0135589],[-0.253622,0.0587396,0.0130638,-0.0029462],[-0.0635559,0.000766697,0.0174883,-0.00484926],[0.00153352,-0.00506899,0.0174957,0.000488467]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.83
S298 (cal/mol*K) = 2.37
G298 (kcal/mol) = 16.12

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(285); C7H11(46)(+M)=>C7H11(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.870e+00 -6.757e-02 -4.584e-01 1.627e-02 / CHEB/ 9.887e+00 1.214e+00 9.422e-02 -8.257e-02 / CHEB/ 1.347e-02 2.795e-01 4.860e-02 -1.356e-02 / CHEB/ -2.536e-01 5.874e-02 1.306e-02 -2.946e-03 / CHEB/ -6.356e-02 7.667e-04 1.749e-02 -4.849e-03 / CHEB/ 1.534e-03 -5.069e-03 1.750e-02 4.885e-04 /

1242.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+1.2	+2.5	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.3	+1.1	+2.8	+3.5

Chebyshev(coeffs=[[-4.4669,-0.546084,-0.355234,0.0119025],[7.46166,1.51665,-0.0717081,-0.0625115],[-0.08585,0.370619,0.0570698,-0.0303306],[-0.291891,0.0454233,0.032503,0.00129299],[-0.0804626,-0.00952143,0.0151136,-0.00384602],[-0.0112511,-0.000494681,0.013468,-0.00329742]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.26
S298 (cal/mol*K) = 3.96
G298 (kcal/mol) = 3.08

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(286); C7H11(46)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.467e+00 -5.461e-01 -3.552e-01 1.190e-02 / CHEB/ 7.462e+00 1.517e+00 -7.171e-02 -6.251e-02 / CHEB/ -8.585e-02 3.706e-01 5.707e-02 -3.033e-02 / CHEB/ -2.919e-01 4.542e-02 3.250e-02 1.293e-03 / CHEB/ -8.046e-02 -9.521e-03 1.511e-02 -3.846e-03 / CHEB/ -1.125e-02 -4.947e-04 1.347e-02 -3.297e-03 /

1243.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-7.3	-4.0	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-6.9	-3.4	-1.7

Chebyshev(coeffs=[[-17.5276,0.730375,-0.439007,-0.039772],[15.0266,0.584587,0.156098,-0.0110075],[-0.00718254,0.248169,0.0364351,-0.0247618],[-0.156082,0.0907262,0.0157853,-0.0117973],[-0.0369456,0.00664531,0.022052,0.00406203],[0.0063497,-0.0109598,0.0134962,0.00716661]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.72
S298 (cal/mol*K) = -13.16
G298 (kcal/mol) = -12.80

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(287); C7H11(46)(+M)=>C7H11(287)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.753e+01 7.304e-01 -4.390e-01 -3.977e-02 / CHEB/ 1.503e+01 5.846e-01 1.561e-01 -1.101e-02 / CHEB/ -7.183e-03 2.482e-01 3.644e-02 -2.476e-02 / CHEB/ -1.561e-01 9.073e-02 1.579e-02 -1.180e-02 / CHEB/ -3.695e-02 6.645e-03 2.205e-02 4.062e-03 / CHEB/ 6.350e-03 -1.096e-02 1.350e-02 7.167e-03 /

1244.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.4	-17.6	-10.7	-7.3
log₁₀(k(10 bar)/[mole,m,s])	-38.8	-16.9	-9.8	-6.4

Chebyshev(coeffs=[[-37.9906,1.49076,-0.254385,-0.0647507],[30.8952,0.132875,0.0586189,0.00602685],[-0.175176,0.155514,0.0590459,-0.00136377],[-0.136645,0.0859925,0.034676,0.00155098],[-0.0263624,-0.00382834,0.0058635,0.00731326],[0.0069401,-0.019784,-0.00195657,0.00569825]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.95
S298 (cal/mol*K) = 7.62
G298 (kcal/mol) = 97.68

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(288); C7H11(46)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.799e+01 1.491e+00 -2.544e-01 -6.475e-02 / CHEB/ 3.090e+01 1.329e-01 5.862e-02 6.027e-03 / CHEB/ -1.752e-01 1.555e-01 5.905e-02 -1.364e-03 / CHEB/ -1.366e-01 8.599e-02 3.468e-02 1.551e-03 / CHEB/ -2.636e-02 -3.828e-03 5.863e-03 7.313e-03 / CHEB/ 6.940e-03 -1.978e-02 -1.957e-03 5.698e-03 /

1261.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.7	-6.3	+0.4	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-29.3	-6.1	+1.0	+4.2

Chebyshev(coeffs=[[-27.4978,-0.178401,-0.425998,0.015329],[31.3985,1.48008,0.0119018,-0.109353],[-0.295121,0.344356,0.120946,-0.0215867],[-0.263235,-0.0180583,0.0674113,0.0198418],[-0.0841267,-0.0276391,0.0158039,0.0153402],[-0.0208688,-0.00631767,-0.00443841,0.00432657]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.56
S298 (cal/mol*K) = 43.47
G298 (kcal/mol) = 74.61

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(247); C7H10(1)(+M)=>H(25)+C7H9(247)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.750e+01 -1.784e-01 -4.260e-01 1.533e-02 / CHEB/ 3.140e+01 1.480e+00 1.190e-02 -1.094e-01 / CHEB/ -2.951e-01 3.444e-01 1.209e-01 -2.159e-02 / CHEB/ -2.632e-01 -1.806e-02 6.741e-02 1.984e-02 / CHEB/ -8.413e-02 -2.764e-02 1.580e-02 1.534e-02 / CHEB/ -2.087e-02 -6.318e-03 -4.438e-03 4.327e-03 /

1262.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.0	-5.2	+1.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-5.1	+1.8	+4.7

Chebyshev(coeffs=[[-25.9803,-0.271404,-0.427379,0.020713],[30.632,1.43781,-0.01255,-0.106781],[-0.442543,0.380685,0.107828,-0.0280386],[-0.263468,-0.00118966,0.0701907,0.0153935],[-0.108057,-0.0278428,0.0199165,0.0148222],[-0.0555378,-0.0048104,-0.00229844,0.00502067]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.96
S298 (cal/mol*K) = 43.23
G298 (kcal/mol) = 65.08

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H9(5); C7H10(1), H(25); C7H10(1)(+M)=>C7H9(5)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.598e+01 -2.714e-01 -4.274e-01 2.071e-02 / CHEB/ 3.063e+01 1.438e+00 -1.255e-02 -1.068e-01 / CHEB/ -4.425e-01 3.807e-01 1.078e-01 -2.804e-02 / CHEB/ -2.635e-01 -1.190e-03 7.019e-02 1.539e-02 / CHEB/ -1.081e-01 -2.784e-02 1.992e-02 1.482e-02 / CHEB/ -5.554e-02 -4.810e-03 -2.298e-03 5.021e-03 /

1263.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.9	-10.6	-2.8	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-35.2	-10.1	-2.0	+1.8

Chebyshev(coeffs=[[-33.552,0.354667,-0.459149,-0.0160317],[34.6262,1.25553,0.160235,-0.0933581],[-0.118881,0.203198,0.118418,0.0105559],[-0.0874856,-0.0274532,0.0430624,0.0261916],[-0.0405862,-0.0170842,0.00424462,0.0117114],[-0.047144,-0.0114714,-0.0100174,0.000400832]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 110.96
S298 (cal/mol*K) = 50.47
G298 (kcal/mol) = 95.92

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(248); C7H10(1)(+M)=>H(25)+C7H9(248)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.355e+01 3.547e-01 -4.591e-01 -1.603e-02 / CHEB/ 3.463e+01 1.256e+00 1.602e-01 -9.336e-02 / CHEB/ -1.189e-01 2.032e-01 1.184e-01 1.056e-02 / CHEB/ -8.749e-02 -2.745e-02 4.306e-02 2.619e-02 / CHEB/ -4.059e-02 -1.708e-02 4.245e-03 1.171e-02 / CHEB/ -4.714e-02 -1.147e-02 -1.002e-02 4.008e-04 /

1264.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.9	-10.6	-2.8	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-35.2	-10.1	-2.0	+1.8

H298 (kcal/mol) = 110.96
S298 (cal/mol*K) = 50.47
G298 (kcal/mol) = 95.92

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(249); C7H10(1)(+M)=>H(25)+C7H9(249)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.355e+01 3.547e-01 -4.591e-01 -1.603e-02 / CHEB/ 3.463e+01 1.256e+00 1.602e-01 -9.336e-02 / CHEB/ -1.189e-01 2.032e-01 1.184e-01 1.056e-02 / CHEB/ -8.749e-02 -2.745e-02 4.306e-02 2.619e-02 / CHEB/ -4.059e-02 -1.708e-02 4.245e-03 1.171e-02 / CHEB/ -4.714e-02 -1.147e-02 -1.002e-02 4.008e-04 /

1265.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-10.7	-3.4	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-34.5	-10.3	-2.7	+0.9

Chebyshev(coeffs=[[-32.7585,0.093201,-0.443415,0.00202045],[33.0017,1.42642,0.0931412,-0.108722],[-0.151468,0.249882,0.130898,-0.00218967],[-0.142282,-0.0317245,0.0526919,0.0260147],[-0.0515597,-0.0217487,0.00833719,0.0138889],[-0.0455571,-0.00871566,-0.0079275,0.0020216]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.62
S298 (cal/mol*K) = 29.77
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(250); C7H10(1)(+M)=>C7H10(250)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.276e+01 9.320e-02 -4.434e-01 2.020e-03 / CHEB/ 3.300e+01 1.426e+00 9.314e-02 -1.087e-01 / CHEB/ -1.515e-01 2.499e-01 1.309e-01 -2.190e-03 / CHEB/ -1.423e-01 -3.172e-02 5.269e-02 2.601e-02 / CHEB/ -5.156e-02 -2.175e-02 8.337e-03 1.389e-02 / CHEB/ -4.556e-02 -8.716e-03 -7.927e-03 2.022e-03 /

1266.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.8	-3.7	+3.0	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-26.4	-3.5	+3.6	+6.7

Chebyshev(coeffs=[[-24.678,-0.196864,-0.426448,0.0162759],[31.1359,1.47269,0.00653642,-0.109101],[-0.330084,0.350951,0.11833,-0.0229776],[-0.237829,-0.0159099,0.0679602,0.0190228],[-0.0904814,-0.0279292,0.0165066,0.0152701],[-0.0474333,-0.00569759,-0.00408106,0.00444225]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.61
S298 (cal/mol*K) = 44.02
G298 (kcal/mol) = 71.50

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(115); C7H10(1)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.468e+01 -1.969e-01 -4.264e-01 1.628e-02 / CHEB/ 3.114e+01 1.473e+00 6.536e-03 -1.091e-01 / CHEB/ -3.301e-01 3.510e-01 1.183e-01 -2.298e-02 / CHEB/ -2.378e-01 -1.591e-02 6.796e-02 1.902e-02 / CHEB/ -9.048e-02 -2.793e-02 1.651e-02 1.527e-02 / CHEB/ -4.743e-02 -5.698e-03 -4.081e-03 4.442e-03 /

1267.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-0.4	+5.6	+8.0
log₁₀(k(10 bar)/[mole,m,s])	-22.5	-0.4	+6.0	+8.6

Chebyshev(coeffs=[[-20.9547,-0.393191,-0.436435,0.0278861],[29.9578,1.32928,-0.0463071,-0.100967],[-0.683482,0.388094,0.08481,-0.0337936],[-0.356795,0.0166762,0.0665495,0.00914756],[-0.152746,-0.0251615,0.0228248,0.0127521],[-0.0696281,-0.00305863,0.000576722,0.00519781]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.97
S298 (cal/mol*K) = 40.06
G298 (kcal/mol) = 47.04

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(108); C7H10(1)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.095e+01 -3.932e-01 -4.364e-01 2.789e-02 / CHEB/ 2.996e+01 1.329e+00 -4.631e-02 -1.010e-01 / CHEB/ -6.835e-01 3.881e-01 8.481e-02 -3.379e-02 / CHEB/ -3.568e-01 1.668e-02 6.655e-02 9.148e-03 / CHEB/ -1.527e-01 -2.516e-02 2.282e-02 1.275e-02 / CHEB/ -6.963e-02 -3.059e-03 5.767e-04 5.198e-03 /

1268.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.5	-5.6	+1.6	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-29.0	-5.2	+2.3	+5.7

Chebyshev(coeffs=[[-27.3017,0.0379985,-0.437838,0.00469062],[32.5013,1.45594,0.0757116,-0.109774],[-0.193343,0.261976,0.132482,-0.00568914],[-0.16875,-0.0317819,0.0552464,0.0256066],[-0.0585353,-0.0226332,0.00926728,0.0142891],[-0.046355,-0.00809432,-0.00744455,0.00238801]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.98
S298 (cal/mol*K) = 48.21
G298 (kcal/mol) = 83.62

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(88); C7H10(1)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.730e+01 3.800e-02 -4.378e-01 4.691e-03 / CHEB/ 3.250e+01 1.456e+00 7.571e-02 -1.098e-01 / CHEB/ -1.933e-01 2.620e-01 1.325e-01 -5.689e-03 / CHEB/ -1.687e-01 -3.178e-02 5.525e-02 2.561e-02 / CHEB/ -5.854e-02 -2.263e-02 9.267e-03 1.429e-02 / CHEB/ -4.635e-02 -8.094e-03 -7.445e-03 2.388e-03 /

1269.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.0	-4.1	+3.2	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-3.7	+3.9	+7.4

Chebyshev(coeffs=[[-25.7257,0.0054052,-0.43075,0.00568478],[32.4529,1.48714,0.063995,-0.109291],[-0.106268,0.265117,0.136112,-0.00766161],[-0.113968,-0.0333208,0.0563303,0.0259743],[-0.052048,-0.0238382,0.00950541,0.0145781],[-0.0724572,-0.00631462,-0.00747912,0.00233614]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.98
S298 (cal/mol*K) = 42.24
G298 (kcal/mol) = 66.39

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(251); C7H10(1)(+M)=>C7H10(251)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.573e+01 5.405e-03 -4.307e-01 5.685e-03 / CHEB/ 3.245e+01 1.487e+00 6.399e-02 -1.093e-01 / CHEB/ -1.063e-01 2.651e-01 1.361e-01 -7.662e-03 / CHEB/ -1.140e-01 -3.332e-02 5.633e-02 2.597e-02 / CHEB/ -5.205e-02 -2.384e-02 9.505e-03 1.458e-02 / CHEB/ -7.246e-02 -6.315e-03 -7.479e-03 2.336e-03 /

1270.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.2	-2.0	+4.0	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-2.0	+4.4	+7.0

Chebyshev(coeffs=[[-22.4443,-0.388522,-0.436082,0.0275898],[29.8184,1.33401,-0.0450863,-0.101262],[-0.710575,0.388406,0.0857019,-0.0336481],[-0.364079,0.0161928,0.0667597,0.00936156],[-0.154554,-0.0252489,0.0227563,0.01284],[-0.0701178,-0.0031221,0.00048406,0.00520566]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.45
S298 (cal/mol*K) = 31.49
G298 (kcal/mol) = 17.07

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(252); C7H10(1)(+M)=>C7H10(252)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.244e+01 -3.885e-01 -4.361e-01 2.759e-02 / CHEB/ 2.982e+01 1.334e+00 -4.509e-02 -1.013e-01 / CHEB/ -7.106e-01 3.884e-01 8.570e-02 -3.365e-02 / CHEB/ -3.641e-01 1.619e-02 6.676e-02 9.362e-03 / CHEB/ -1.546e-01 -2.525e-02 2.276e-02 1.284e-02 / CHEB/ -7.012e-02 -3.122e-03 4.841e-04 5.206e-03 /

1271.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.3	-13.1	-5.5	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-37.4	-12.5	-4.7	-1.1

Chebyshev(coeffs=[[-36.1461,0.557871,-0.458261,-0.0345867],[34.6844,1.08099,0.190065,-0.0709523],[-0.404738,0.195509,0.109087,0.0136758],[-0.131009,-0.020312,0.036913,0.0253794],[-0.0594766,-0.0195411,0.00207567,0.0106829],[-0.0574035,-0.0127045,-0.010801,-0.000796605]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.14
S298 (cal/mol*K) = 27.37
G298 (kcal/mol) = 69.98

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(253); C7H10(1)(+M)=>C7H10(253)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.615e+01 5.579e-01 -4.583e-01 -3.459e-02 / CHEB/ 3.468e+01 1.081e+00 1.901e-01 -7.095e-02 / CHEB/ -4.047e-01 1.955e-01 1.091e-01 1.368e-02 / CHEB/ -1.310e-01 -2.031e-02 3.691e-02 2.538e-02 / CHEB/ -5.948e-02 -1.954e-02 2.076e-03 1.068e-02 / CHEB/ -5.740e-02 -1.270e-02 -1.080e-02 -7.966e-04 /

1272.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-2.7	+3.2	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-24.4	-2.6	+3.7	+6.2

Chebyshev(coeffs=[[-22.926,-0.328791,-0.431873,0.0238894],[29.5364,1.38959,-0.029227,-0.104586],[-0.729642,0.386873,0.0969006,-0.0312421],[-0.362318,0.00789266,0.0687817,0.0122946],[-0.146393,-0.0266809,0.0214693,0.0138982],[-0.0658582,-0.00406713,-0.000852286,0.00519721]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.83
S298 (cal/mol*K) = 30.77
G298 (kcal/mol) = 61.66

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(254); C7H10(1)(+M)=>C7H10(254)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.293e+01 -3.288e-01 -4.319e-01 2.389e-02 / CHEB/ 2.954e+01 1.390e+00 -2.923e-02 -1.046e-01 / CHEB/ -7.296e-01 3.869e-01 9.690e-02 -3.124e-02 / CHEB/ -3.623e-01 7.893e-03 6.878e-02 1.229e-02 / CHEB/ -1.464e-01 -2.668e-02 2.147e-02 1.390e-02 / CHEB/ -6.586e-02 -4.067e-03 -8.523e-04 5.197e-03 /

1274.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-1.8	+1.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-1.2	+2.5	+3.8

Chebyshev(coeffs=[[-12.0491,0.375584,-0.286935,0.0122089],[14.8771,1.27953,-0.00474803,-0.0973161],[0.390678,0.328479,0.161899,-0.00406311],[-0.140697,-0.0683701,0.0625617,0.0363276],[-0.187843,-0.0871992,-0.0126522,0.0195338],[-0.101601,-0.0250989,-0.0221498,-0.0025788]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.98
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = 27.73

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(247); C7H10(18)(+M)=>H(25)+C7H9(247)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.205e+01 3.756e-01 -2.869e-01 1.221e-02 / CHEB/ 1.488e+01 1.280e+00 -4.748e-03 -9.732e-02 / CHEB/ 3.907e-01 3.285e-01 1.619e-01 -4.063e-03 / CHEB/ -1.407e-01 -6.837e-02 6.256e-02 3.633e-02 / CHEB/ -1.878e-01 -8.720e-02 -1.265e-02 1.953e-02 / CHEB/ -1.016e-01 -2.510e-02 -2.215e-02 -2.579e-03 /

1275.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-5.2	-0.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-4.5	-0.0	+1.8

Chebyshev(coeffs=[[-17.4026,0.680712,-0.363126,-0.0128166],[18.1544,1.1468,0.159537,-0.0800512],[0.376353,0.202331,0.149586,0.0302362],[-0.0959023,-0.0850861,0.019726,0.0334216],[-0.147501,-0.0640513,-0.0256037,0.00638449],[-0.0830163,-0.0110557,-0.0155752,-0.00663546]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.38
S298 (cal/mol*K) = 7.81
G298 (kcal/mol) = 49.05

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(248); C7H10(18)(+M)=>H(25)+C7H9(248)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.740e+01 6.807e-01 -3.631e-01 -1.282e-02 / CHEB/ 1.815e+01 1.147e+00 1.595e-01 -8.005e-02 / CHEB/ 3.764e-01 2.023e-01 1.496e-01 3.024e-02 / CHEB/ -9.590e-02 -8.509e-02 1.973e-02 3.342e-02 / CHEB/ -1.475e-01 -6.405e-02 -2.560e-02 6.384e-03 / CHEB/ -8.302e-02 -1.106e-02 -1.558e-02 -6.635e-03 /

1276.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-5.2	-0.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-4.5	-0.0	+1.8

H298 (kcal/mol) = 51.38
S298 (cal/mol*K) = 7.81
G298 (kcal/mol) = 49.05

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(249); C7H10(18)(+M)=>H(25)+C7H9(249)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.740e+01 6.807e-01 -3.631e-01 -1.282e-02 / CHEB/ 1.815e+01 1.147e+00 1.595e-01 -8.005e-02 / CHEB/ 3.764e-01 2.023e-01 1.496e-01 3.024e-02 / CHEB/ -9.590e-02 -8.509e-02 1.973e-02 3.342e-02 / CHEB/ -1.475e-01 -6.405e-02 -2.560e-02 6.384e-03 / CHEB/ -8.302e-02 -1.106e-02 -1.558e-02 -6.635e-03 /

1277.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-5.7	-1.8	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-18.1	-5.0	-0.9	+0.7

Chebyshev(coeffs=[[-16.8935,0.536352,-0.328951,0.00164219],[16.5423,1.24153,0.0854442,-0.094126],[0.420324,0.244038,0.16514,0.0177879],[-0.110594,-0.0857832,0.0354481,0.0373893],[-0.152279,-0.074184,-0.0230497,0.0115989],[-0.0856599,-0.0147644,-0.0188504,-0.00584686]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.04
S298 (cal/mol*K) = -12.89
G298 (kcal/mol) = 22.88

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(250); C7H10(18)(+M)=>C7H10(250)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.689e+01 5.364e-01 -3.290e-01 1.642e-03 / CHEB/ 1.654e+01 1.242e+00 8.544e-02 -9.413e-02 / CHEB/ 4.203e-01 2.440e-01 1.651e-01 1.779e-02 / CHEB/ -1.106e-01 -8.578e-02 3.545e-02 3.739e-02 / CHEB/ -1.523e-01 -7.418e-02 -2.305e-02 1.160e-02 / CHEB/ -8.566e-02 -1.476e-02 -1.885e-02 -5.847e-03 /

1278.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	+0.9	+4.7	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-11.2	+1.6	+5.6	+7.2

Chebyshev(coeffs=[[-9.89603,0.488641,-0.311786,0.00499974],[15.9408,1.27354,0.055223,-0.0955575],[0.507419,0.26037,0.170951,0.0123559],[-0.0792639,-0.0864974,0.0412074,0.0385744],[-0.167734,-0.0781708,-0.0222545,0.0133965],[-0.0677727,-0.0166401,-0.02005,-0.00543418]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.39
S298 (cal/mol*K) = -0.42
G298 (kcal/mol) = 19.52

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(251); C7H10(18)(+M)=>C7H10(251)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.896e+00 4.886e-01 -3.118e-01 5.000e-03 / CHEB/ 1.594e+01 1.274e+00 5.522e-02 -9.556e-02 / CHEB/ 5.074e-01 2.604e-01 1.710e-01 1.236e-02 / CHEB/ -7.926e-02 -8.650e-02 4.121e-02 3.857e-02 / CHEB/ -1.677e-01 -7.817e-02 -2.225e-02 1.340e-02 / CHEB/ -6.777e-02 -1.664e-02 -2.005e-02 -5.434e-03 /

1279.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	+1.9	+4.4	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-8.0	+2.3	+5.2	+6.1

Chebyshev(coeffs=[[-7.18124,0.233534,-0.27452,0.0217737],[12.8327,1.19974,-0.0638815,-0.0946412],[-0.107289,0.406545,0.126,-0.0250979],[-0.178791,-0.00844686,0.0803889,0.0244788],[-0.163029,-0.0825125,0.00890835,0.0240266],[-0.082189,-0.0415143,-0.0178141,0.00396766]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.13
S298 (cal/mol*K) = -11.17
G298 (kcal/mol) = -29.80

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(252); C7H10(18)(+M)=>C7H10(252)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.181e+00 2.335e-01 -2.745e-01 2.177e-02 / CHEB/ 1.283e+01 1.200e+00 -6.388e-02 -9.464e-02 / CHEB/ -1.073e-01 4.065e-01 1.260e-01 -2.510e-02 / CHEB/ -1.788e-01 -8.447e-03 8.039e-02 2.448e-02 / CHEB/ -1.630e-01 -8.251e-02 8.908e-03 2.403e-02 / CHEB/ -8.219e-02 -4.151e-02 -1.781e-02 3.968e-03 /

1280.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.5	-7.5	-3.5	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-6.7	-2.6	-1.0

Chebyshev(coeffs=[[-19.7353,0.779435,-0.377991,-0.0255361],[18.0823,1.07042,0.198516,-0.0646383],[0.0727296,0.181771,0.137857,0.0350953],[-0.163843,-0.0822931,0.0109486,0.03008],[-0.168588,-0.0583547,-0.0258287,0.00350102],[-0.0896323,-0.00913334,-0.0136191,-0.00684271]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.56
S298 (cal/mol*K) = -15.29
G298 (kcal/mol) = 23.11

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(253); C7H10(18)(+M)=>C7H10(253)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.974e+01 7.794e-01 -3.780e-01 -2.554e-02 / CHEB/ 1.808e+01 1.070e+00 1.985e-01 -6.464e-02 / CHEB/ 7.273e-02 1.818e-01 1.379e-01 3.510e-02 / CHEB/ -1.638e-01 -8.229e-02 1.095e-02 3.008e-02 / CHEB/ -1.686e-01 -5.835e-02 -2.583e-02 3.501e-03 / CHEB/ -8.963e-02 -9.133e-03 -1.362e-02 -6.843e-03 /

1281.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	+1.4	+3.9	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-8.4	+1.9	+4.7	+5.5

Chebyshev(coeffs=[[-7.57564,0.274672,-0.275668,0.0189055],[12.6744,1.23271,-0.0481888,-0.0960057],[-0.0980629,0.389766,0.138097,-0.0195074],[-0.191351,-0.0288263,0.077529,0.0288042],[-0.172826,-0.0879517,0.00233143,0.0236373],[-0.0882533,-0.0377655,-0.0201998,0.00203627]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.25
S298 (cal/mol*K) = -11.89
G298 (kcal/mol) = 14.79

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(254); C7H10(18)(+M)=>C7H10(254)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.576e+00 2.747e-01 -2.757e-01 1.891e-02 / CHEB/ 1.267e+01 1.233e+00 -4.819e-02 -9.601e-02 / CHEB/ -9.806e-02 3.898e-01 1.381e-01 -1.951e-02 / CHEB/ -1.914e-01 -2.883e-02 7.753e-02 2.880e-02 / CHEB/ -1.728e-01 -8.795e-02 2.331e-03 2.364e-02 / CHEB/ -8.825e-02 -3.777e-02 -2.020e-02 2.036e-03 /

1282.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+1.0	+2.0	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+1.2	+2.6	+3.1

Chebyshev(coeffs=[[3.71015,-0.119508,-0.256532,0.0157143],[4.31695,1.23758,-0.152538,-0.0786357],[0.311422,0.461146,0.109297,-0.0265826],[-0.100897,0.0277169,0.0746335,0.0147702],[-0.0462957,-0.0628809,0.0123006,0.0131157],[0.0025122,-0.0377262,-0.0120374,0.000361066]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -92.87
S298 (cal/mol*K) = -54.85
G298 (kcal/mol) = -76.53

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(65); C5H6(62), C7H10(65); C2H4(115)+C5H6(62)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.710e+00 -1.195e-01 -2.565e-01 1.571e-02 / CHEB/ 4.317e+00 1.238e+00 -1.525e-01 -7.864e-02 / CHEB/ 3.114e-01 4.611e-01 1.093e-01 -2.658e-02 / CHEB/ -1.009e-01 2.772e-02 7.463e-02 1.477e-02 / CHEB/ -4.630e-02 -6.288e-02 1.230e-02 1.312e-02 / CHEB/ 2.512e-03 -3.773e-02 -1.204e-02 3.611e-04 /

1283.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.7	-0.3	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-3.3	-0.5	+0.5

Chebyshev(coeffs=[[-2.30296,-1.89035,-0.280798,0.00545783],[8.02045,1.45251,-0.0528236,-0.0878179],[1.04985,0.38199,0.171262,-0.00745244],[-0.0492425,-0.0723166,0.0629077,0.0269508],[-0.112086,-0.0918073,-0.0126903,0.0133501],[-0.0721986,-0.0283264,-0.0201224,-0.0013121]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.27
S298 (cal/mol*K) = -31.24
G298 (kcal/mol) = 2.04

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(247); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(247)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.303e+00 -1.890e+00 -2.808e-01 5.458e-03 / CHEB/ 8.020e+00 1.453e+00 -5.282e-02 -8.782e-02 / CHEB/ 1.050e+00 3.820e-01 1.713e-01 -7.452e-03 / CHEB/ -4.924e-02 -7.232e-02 6.291e-02 2.695e-02 / CHEB/ -1.121e-01 -9.181e-02 -1.269e-02 1.335e-02 / CHEB/ -7.220e-02 -2.833e-02 -2.012e-02 -1.312e-03 /

1284.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-5.6	-2.6	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-6.0	-2.7	-1.3

Chebyshev(coeffs=[[-6.57889,-1.71427,-0.338305,0.00225194],[10.3898,1.44459,0.0602403,-0.0927054],[1.05564,0.271531,0.174972,0.0104794],[-0.00709253,-0.100346,0.0359173,0.0306606],[-0.0895853,-0.0789474,-0.0246135,0.00925723],[-0.0492122,-0.015395,-0.0179892,-0.00419507]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.13
S298 (cal/mol*K) = -24.25
G298 (kcal/mol) = 23.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(248); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(248)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.579e+00 -1.714e+00 -3.383e-01 2.252e-03 / CHEB/ 1.039e+01 1.445e+00 6.024e-02 -9.271e-02 / CHEB/ 1.056e+00 2.715e-01 1.750e-01 1.048e-02 / CHEB/ -7.093e-03 -1.003e-01 3.592e-02 3.066e-02 / CHEB/ -8.959e-02 -7.895e-02 -2.461e-02 9.257e-03 / CHEB/ -4.921e-02 -1.540e-02 -1.799e-02 -4.195e-03 /

1285.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-5.6	-2.6	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-6.0	-2.7	-1.3

H298 (kcal/mol) = 16.13
S298 (cal/mol*K) = -24.25
G298 (kcal/mol) = 23.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(249); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(249)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.579e+00 -1.714e+00 -3.383e-01 2.252e-03 / CHEB/ 1.039e+01 1.445e+00 6.024e-02 -9.271e-02 / CHEB/ 1.056e+00 2.715e-01 1.750e-01 1.048e-02 / CHEB/ -7.093e-03 -1.003e-01 3.592e-02 3.066e-02 / CHEB/ -8.959e-02 -7.895e-02 -2.461e-02 9.257e-03 / CHEB/ -4.921e-02 -1.540e-02 -1.799e-02 -4.195e-03 /

1286.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	-6.2	-3.6	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-6.7	-3.7	-2.4

Chebyshev(coeffs=[[-6.51842,-1.79783,-0.309168,0.00339257],[9.20805,1.46875,0.00520039,-0.0903551],[1.05751,0.316372,0.178934,0.00225869],[-0.0347052,-0.0941248,0.0477724,0.0296828],[-0.0966265,-0.0855029,-0.0209633,0.0114646],[-0.0492265,-0.0203202,-0.0195058,-0.00293485]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.21
S298 (cal/mol*K) = -44.95
G298 (kcal/mol) = -2.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(250); C5H6(62), C7H10(250); C2H4(115)+C5H6(62)(+M)=>C7H10(250)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.518e+00 -1.798e+00 -3.092e-01 3.393e-03 / CHEB/ 9.208e+00 1.469e+00 5.200e-03 -9.036e-02 / CHEB/ 1.058e+00 3.164e-01 1.789e-01 2.259e-03 / CHEB/ -3.471e-02 -9.412e-02 4.777e-02 2.968e-02 / CHEB/ -9.663e-02 -8.550e-02 -2.096e-02 1.146e-02 / CHEB/ -4.923e-02 -2.032e-02 -1.951e-02 -2.935e-03 /

1287.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	+0.4	+3.0	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-0.1	+2.8	+4.0

Chebyshev(coeffs=[[0.323419,-1.82116,-0.299144,0.00377074],[8.81348,1.47337,-0.0115912,-0.0893161],[1.10637,0.332748,0.179884,-9.1107e-05],[-0.0422031,-0.0913377,0.0518522,0.0293382],[-0.136466,-0.0871625,-0.0198398,0.0120175],[-0.0253946,-0.0224323,-0.0199216,-0.00254892]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.86
S298 (cal/mol*K) = -32.47
G298 (kcal/mol) = -6.18

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(251); C5H6(62), C7H10(251); C2H4(115)+C5H6(62)(+M)=>C7H10(251)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.234e-01 -1.821e+00 -2.991e-01 3.771e-03 / CHEB/ 8.813e+00 1.473e+00 -1.159e-02 -8.932e-02 / CHEB/ 1.106e+00 3.327e-01 1.799e-01 -9.111e-05 / CHEB/ -4.220e-02 -9.134e-02 5.185e-02 2.934e-02 / CHEB/ -1.365e-01 -8.716e-02 -1.984e-02 1.202e-02 / CHEB/ -2.539e-02 -2.243e-02 -1.992e-02 -2.549e-03 /

1288.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	+0.6	+2.2	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-0.1	+1.9	+2.6

Chebyshev(coeffs=[[2.02327,-1.99437,-0.263345,0.00933299],[6.17859,1.3786,-0.104134,-0.0849643],[0.690612,0.443728,0.14659,-0.0179307],[-0.124397,-0.0249971,0.0747772,0.0217248],[-0.128246,-0.0870517,0.000480759,0.0141209],[-0.054423,-0.0381153,-0.0176397,5.49991e-06]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.38
S298 (cal/mol*K) = -43.22
G298 (kcal/mol) = -55.50

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(252); C5H6(62), C7H10(252); C2H4(115)+C5H6(62)(+M)=>C7H10(252)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.023e+00 -1.994e+00 -2.633e-01 9.333e-03 / CHEB/ 6.179e+00 1.379e+00 -1.041e-01 -8.496e-02 / CHEB/ 6.906e-01 4.437e-01 1.466e-01 -1.793e-02 / CHEB/ -1.244e-01 -2.500e-02 7.478e-02 2.172e-02 / CHEB/ -1.282e-01 -8.705e-02 4.808e-04 1.412e-02 / CHEB/ -5.442e-02 -3.812e-02 -1.764e-02 5.500e-06 /

1289.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-7.8	-5.1	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-8.1	-5.2	-4.0

Chebyshev(coeffs=[[-8.64316,-1.64715,-0.360311,0.00091792],[10.0607,1.40837,0.101731,-0.093676],[0.774789,0.246067,0.168109,0.0165917],[-0.0649671,-0.10179,0.0281895,0.0305789],[-0.11016,-0.0740549,-0.0261701,0.00744809],[-0.0579433,-0.0126554,-0.0165609,-0.00492107]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.69
S298 (cal/mol*K) = -47.34
G298 (kcal/mol) = -2.59

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(253); C5H6(62), C7H10(253); C2H4(115)+C5H6(62)(+M)=>C7H10(253)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.643e+00 -1.647e+00 -3.603e-01 9.179e-04 / CHEB/ 1.006e+01 1.408e+00 1.017e-01 -9.368e-02 / CHEB/ 7.748e-01 2.461e-01 1.681e-01 1.659e-02 / CHEB/ -6.497e-02 -1.018e-01 2.819e-02 3.058e-02 / CHEB/ -1.102e-01 -7.405e-02 -2.617e-02 7.448e-03 / CHEB/ -5.794e-02 -1.266e-02 -1.656e-02 -4.921e-03 /

1290.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+0.2	+1.8	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-0.4	+1.5	+2.1

Chebyshev(coeffs=[[1.78393,-1.96289,-0.267158,0.00802172],[6.00149,1.40603,-0.0899072,-0.0859728],[0.650721,0.428803,0.155161,-0.0149624],[-0.143598,-0.040608,0.0723237,0.0234758],[-0.134576,-0.0904995,-0.0035526,0.0140783],[-0.0572627,-0.0358477,-0.0187895,-0.000287909]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.00
S298 (cal/mol*K) = -43.94
G298 (kcal/mol) = -10.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(254); C5H6(62), C7H10(254); C2H4(115)+C5H6(62)(+M)=>C7H10(254)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.784e+00 -1.963e+00 -2.672e-01 8.022e-03 / CHEB/ 6.001e+00 1.406e+00 -8.991e-02 -8.597e-02 / CHEB/ 6.507e-01 4.288e-01 1.552e-01 -1.496e-02 / CHEB/ -1.436e-01 -4.061e-02 7.232e-02 2.348e-02 / CHEB/ -1.346e-01 -9.050e-02 -3.553e-03 1.408e-02 / CHEB/ -5.726e-02 -3.585e-02 -1.879e-02 -2.879e-04 /

1306.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

Arrhenius(A=(1.026e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -55.83
S298 (cal/mol*K) = -9.77
G298 (kcal/mol) = -52.92

! Template reaction: Disproportionation ! Flux pairs: C7H9(24), C7H10(153); C7H11(289), C7H10(1); ! Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(24)+C7H11(289)=C7H10(1)+C7H10(153) 1.026000e+14 -0.350 0.000

1307.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -69.02
S298 (cal/mol*K) = -15.42
G298 (kcal/mol) = -64.43

1308.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -69.15
S298 (cal/mol*K) = -13.94
G298 (kcal/mol) = -65.00

1309.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.0	+5.9	+5.9	+5.8

Arrhenius(A=(9.74423e+06,'m^3/(mol*s)'), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), comment="""Estimated using average of templates [C_sec_rad;Cmethyl_Csrad/H/Cd] + [C_rad/H/NonDeC;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeC;Cmethyl_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -53.23
S298 (cal/mol*K) = -6.34
G298 (kcal/mol) = -51.35

! Template reaction: Disproportionation ! Estimated using average of templates [C_sec_rad;Cmethyl_Csrad/H/Cd] + [C_rad/H/NonDeC;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H9(24)+C7H11(292)=C7H10(1)+C7H10(153) 9.744229e+12 -0.350 0.000

1310.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -35.34
S298 (cal/mol*K) = -20.68
G298 (kcal/mol) = -29.18

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(5)+C7H11(289)=C7H10(1)+C7H10(153) 3.052000e+12 0.000 -0.550

1311.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -48.53
S298 (cal/mol*K) = -26.33
G298 (kcal/mol) = -40.69

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(5)+C7H11(290)=C7H10(1)+C7H10(153) 3.052000e+12 0.000 -0.550

1312.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -48.66
S298 (cal/mol*K) = -24.85
G298 (kcal/mol) = -41.26

1313.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.5	+5.5	+5.5	+5.5

Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_sec_rad;Cmethyl_Csrad/H/Cd] for rate rule [C_rad/H/OneDeC;Cmethyl_Csrad/H/Cd] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 6.0 family: Disproportionation""")

H298 (kcal/mol) = -32.74
S298 (cal/mol*K) = -17.25
G298 (kcal/mol) = -27.60

! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;Cmethyl_Csrad/H/Cd] for rate rule [C_rad/H/OneDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 6.0 ! family: Disproportionation C7H9(5)+C7H11(292)=C7H10(1)+C7H10(153) 3.000000e+11 0.000 0.000

1314.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -66.38
S298 (cal/mol*K) = -8.06
G298 (kcal/mol) = -63.98

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(289)+C7H9(26)=C7H10(1)+C7H10(153) 2.420000e+12 0.000 0.000

1315.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.57
S298 (cal/mol*K) = -13.71
G298 (kcal/mol) = -75.49

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(290)+C7H9(26)=C7H10(1)+C7H10(153) 2.420000e+12 0.000 0.000

1316.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.70
S298 (cal/mol*K) = -12.23
G298 (kcal/mol) = -76.06

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(291)+C7H9(26)=C7H10(1)+C7H10(153) 2.420000e+12 0.000 0.000

1317.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeC;Cmethyl_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -63.78
S298 (cal/mol*K) = -4.62
G298 (kcal/mol) = -62.41

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H11(292)+C7H9(26)=C7H10(1)+C7H10(153) 4.560000e+14 -0.700 0.000

1318.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -57.18
S298 (cal/mol*K) = -6.96
G298 (kcal/mol) = -55.11

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(289)+C7H9(27)=C7H10(1)+C7H10(153) 2.420000e+12 0.000 0.000

1319.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.37
S298 (cal/mol*K) = -12.61
G298 (kcal/mol) = -66.62

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(290)+C7H9(27)=C7H10(1)+C7H10(153) 2.420000e+12 0.000 0.000

1320.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.50
S298 (cal/mol*K) = -11.13
G298 (kcal/mol) = -67.19

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(291)+C7H9(27)=C7H10(1)+C7H10(153) 2.420000e+12 0.000 0.000

1321.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -54.58
S298 (cal/mol*K) = -3.52
G298 (kcal/mol) = -53.53

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H11(292)+C7H9(27)=C7H10(1)+C7H10(153) 4.560000e+14 -0.700 0.000

1322.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.7	+6.6	+6.5

Arrhenius(A=(8.64e+14,'cm^3/(mol*s)','*|/',2), n=-0.75, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_ter_rad;C/H2/Nd_Csrad] for rate rule [C_rad/Cs2;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -40.17
S298 (cal/mol*K) = -12.80
G298 (kcal/mol) = -36.36

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;C/H2/Nd_Csrad] for rate rule [C_rad/Cs2;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H9(130)=C7H10(1)+C7H10(153) 8.640000e+14 -0.750 0.000

1323.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -62.77
S298 (cal/mol*K) = -22.38
G298 (kcal/mol) = -56.10

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H9(131)=C7H10(1)+C7H10(153) 2.052000e+14 -0.350 0.000

1324.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

H298 (kcal/mol) = -65.77
S298 (cal/mol*K) = -19.68
G298 (kcal/mol) = -59.91

1325.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -56.57
S298 (cal/mol*K) = -18.58
G298 (kcal/mol) = -51.04

1326.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -56.57
S298 (cal/mol*K) = -18.58
G298 (kcal/mol) = -51.04

1327.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_pri_rad;C/H2/Nd_Csrad] for rate rule [Cd_pri_rad;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -67.97
S298 (cal/mol*K) = -19.26
G298 (kcal/mol) = -62.23

! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;C/H2/Nd_Csrad] for rate rule [Cd_pri_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H9(136)=C7H10(1)+C7H10(153) 4.840000e+12 0.000 0.000

1328.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.4	+6.3	+6.2

Arrhenius(A=(4.32e+08,'m^3/(mol*s)'), n=-0.75, Ea=(0,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [C_ter_rad;Cpri_Rrad] for rate rule [C_rad/Cs2;C/H2/Cd_Csrad] Euclidian distance = 3.60555127546 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -53.02
S298 (cal/mol*K) = -22.89
G298 (kcal/mol) = -46.20

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;Cpri_Rrad] for rate rule [C_rad/Cs2;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(130)+C7H11(40)=C7H10(1)+C7H10(153) 4.320000e+14 -0.750 0.000

1329.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -75.62
S298 (cal/mol*K) = -32.47
G298 (kcal/mol) = -65.95

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(131)+C7H11(40)=C7H10(1)+C7H10(153) 1.026000e+14 -0.350 0.000

1330.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -78.62
S298 (cal/mol*K) = -29.77
G298 (kcal/mol) = -69.75

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(132)+C7H11(40)=C7H10(1)+C7H10(153) 2.420000e+12 0.000 0.000

1331.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -69.42
S298 (cal/mol*K) = -28.67
G298 (kcal/mol) = -60.88

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(135)+C7H11(40)=C7H10(1)+C7H10(153) 2.420000e+12 0.000 0.000

1332.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -69.42
S298 (cal/mol*K) = -28.67
G298 (kcal/mol) = -60.88

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(134)+C7H11(40)=C7H10(1)+C7H10(153) 2.420000e+12 0.000 0.000

1333.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.3	+5.3	+5.3	+5.3

Arrhenius(A=(220000,'m^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), comment="""Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] + [Cd_pri_rad;Cpri_Rrad] for rate rule [Cd_pri_rad;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -80.82
S298 (cal/mol*K) = -29.35
G298 (kcal/mol) = -72.08

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] + [Cd_pri_rad;Cpri_Rrad] for rate rule [Cd_pri_rad;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(136)+C7H11(40)=C7H10(1)+C7H10(153) 2.200000e+11 0.000 0.000

1334.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

Arrhenius(A=(2.052e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -62.86
S298 (cal/mol*K) = -3.15
G298 (kcal/mol) = -61.93

! Template reaction: Disproportionation ! Flux pairs: C7H9(24), C7H9(5); C7H10(33), C7H10(1); ! From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(24)+C7H10(33)=C7H10(1)+C7H9(5) 2.052000e+14 -0.350 0.000

1335.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.5	+6.5	+6.5

Arrhenius(A=(3.94407e+07,'m^3/(mol*s)'), n=-0.28, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C_rad/H/NonDeC;XH_s_Rrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -75.71
S298 (cal/mol*K) = -13.24
G298 (kcal/mol) = -71.77

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/NonDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(24)+C7H10(28)=C7H10(1)+C7H9(5) 3.944070e+13 -0.280 1.200

1336.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.9	+6.9	+6.8

Arrhenius(A=(6.104e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 8.0 family: Disproportionation""")

H298 (kcal/mol) = -42.37
S298 (cal/mol*K) = -14.06
G298 (kcal/mol) = -38.18

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H9(5)+C7H10(33)=C7H10(1)+C7H9(5) 6.104000e+12 0.000 -0.550

1337.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using an average for rate rule [C_rad/H/OneDeC;XH_s_Rrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -55.22
S298 (cal/mol*K) = -24.15
G298 (kcal/mol) = -48.03

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/OneDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(5)+C7H10(28)=C7H10(1)+C7H9(5) 3.052000e+12 0.000 -0.550

1338.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -73.41
S298 (cal/mol*K) = -1.44
G298 (kcal/mol) = -72.99

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(33)+C7H9(26)=C7H10(1)+C7H9(5) 4.840000e+12 0.000 0.000

1339.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

Arrhenius(A=(1.29193e+07,'m^3/(mol*s)'), n=-0.14, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -86.26
S298 (cal/mol*K) = -11.52
G298 (kcal/mol) = -82.83

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(26)+C7H10(28)=C7H10(1)+C7H9(5) 1.291927e+13 -0.140 1.200

1340.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.21
S298 (cal/mol*K) = -0.34
G298 (kcal/mol) = -64.11

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(33)+C7H9(27)=C7H10(1)+C7H9(5) 4.840000e+12 0.000 0.000

1341.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

Arrhenius(A=(1.29193e+07,'m^3/(mol*s)'), n=-0.14, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -77.06
S298 (cal/mol*K) = -10.42
G298 (kcal/mol) = -73.96

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(27)+C7H10(28)=C7H10(1)+C7H9(5) 1.291927e+13 -0.140 1.200

1342.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.9	+7.0	+7.1

Arrhenius(A=(136566,'m^3/(mol*s)'), n=0.595, Ea=(1.06692,'kJ/mol'), T0=(1,'K'), comment="""Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Nd_Csrad/H/Cd] + [Y_1centerbirad;C/H2/Nd_Csrad] for rate rule [Y_1centerbirad;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.21
S298 (cal/mol*K) = 1.04
G298 (kcal/mol) = -64.52

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Nd_Csrad/H/Cd] + [Y_1centerbirad;C/H2/Nd_Csrad] for rate rule ! [Y_1centerbirad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H8(261)=C7H10(1)+C7H9(5) 1.365659e+11 0.595 0.255

1343.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.9	+6.9	+6.8

Arrhenius(A=(6.104e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 8.0 family: Disproportionation""")

H298 (kcal/mol) = -42.37
S298 (cal/mol*K) = -14.06
G298 (kcal/mol) = -38.18

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H11(22)+C7H8(256)=C7H10(1)+C7H9(5) 6.104000e+12 0.000 -0.550

1344.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

H298 (kcal/mol) = -65.77
S298 (cal/mol*K) = -21.06
G298 (kcal/mol) = -59.50

1345.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.9	+7.1	+7.3

Arrhenius(A=(2.576e+09,'cm^3/(mol*s)'), n=1.19, Ea=(2.13384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.21
S298 (cal/mol*K) = -0.34
G298 (kcal/mol) = -64.11

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H8(258)=C7H10(1)+C7H9(5) 2.576000e+09 1.190 0.510

1346.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -77.06
S298 (cal/mol*K) = -9.05
G298 (kcal/mol) = -74.37

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H8(261)+C7H11(40)=C7H10(1)+C7H9(5) 2.000000e+10 0.000 0.000

1347.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -55.22
S298 (cal/mol*K) = -24.15
G298 (kcal/mol) = -48.03

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H8(256)+C7H11(40)=C7H10(1)+C7H9(5) 3.052000e+12 0.000 -0.550

1348.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -78.62
S298 (cal/mol*K) = -31.14
G298 (kcal/mol) = -69.34

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H8(257)+C7H11(40)=C7H10(1)+C7H9(5) 2.420000e+12 0.000 0.000

1349.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -77.06
S298 (cal/mol*K) = -10.42
G298 (kcal/mol) = -73.96

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H8(258)+C7H11(40)=C7H10(1)+C7H9(5) 2.000000e+10 0.000 0.000

1350.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.0	+2.5	+3.6	+4.4

Arrhenius(A=(8.3552e-10,'m^3/(mol*s)'), n=4.26, Ea=(23.5141,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -22.45
S298 (cal/mol*K) = -8.95
G298 (kcal/mol) = -19.78

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H9(24), C7H10(1); ! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H9(24)=C7H10(1)+C7H9(5) 8.355201e-04 4.260 5.620

1352.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-11.0	-1.9	+1.5	+3.4

Arrhenius(A=(0.1006,'cm^3/(mol*s)'), n=4.34, Ea=(150.791,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1612 used for Cd/H/NonDeC;C_rad/H/CdCd Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCd] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 7.24
G298 (kcal/mol) = 30.84

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(65); C7H10(1), C7H9(26); ! From training reaction 1612 used for Cd/H/NonDeC;C_rad/H/CdCd ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(1)+C7H9(5)=C7H10(65)+C7H9(26) 1.006000e-01 4.340 36.040

1353.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+4.0	+5.1	+5.8

Arrhenius(A=(0.01054,'cm^3/(mol*s)'), n=4.34, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1145 used for C/H2/CdCd;Cd_rad/Cd Exact match found for rate rule [C/H2/CdCd;Cd_rad/Cd] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -23.80
S298 (cal/mol*K) = -6.14
G298 (kcal/mol) = -21.97

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H9(27), C7H10(1); ! From training reaction 1145 used for C/H2/CdCd;Cd_rad/Cd ! Exact match found for rate rule [C/H2/CdCd;Cd_rad/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H9(27)=C7H10(1)+C7H9(5) 1.054000e-02 4.340 4.800

1354.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -88.56
S298 (cal/mol*K) = -21.95
G298 (kcal/mol) = -82.02

1355.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -68.07
S298 (cal/mol*K) = -32.86
G298 (kcal/mol) = -58.28

1356.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -99.11
S298 (cal/mol*K) = -20.23
G298 (kcal/mol) = -93.08

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(35)+C7H9(26)=C7H10(1)+C7H9(5) 2.420000e+12 0.000 0.000

1357.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -89.91
S298 (cal/mol*K) = -19.13
G298 (kcal/mol) = -84.21

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(35)+C7H9(27)=C7H10(1)+C7H9(5) 2.420000e+12 0.000 0.000

1358.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.9	+3.9	+4.9	+5.5

Arrhenius(A=(3.412e-09,'m^3/(mol*s)'), n=4.34, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = -20.49
S298 (cal/mol*K) = 10.91
G298 (kcal/mol) = -23.74

! Template reaction: H_Abstraction ! Flux pairs: C7H10(1), C7H9(5); C7H9(24), C7H10(1); ! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H9(24)=C7H10(1)+C7H9(5) 3.412000e-03 4.340 3.100

1359.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-9.2	-1.1	+2.0	+3.6

Arrhenius(A=(0.0504,'cm^3/(mol*s)'), n=4.34, Ea=(129.871,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = 31.04
S298 (cal/mol*K) = -12.62
G298 (kcal/mol) = 34.80

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H10(1), C7H9(26); ! From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H9(5)=C7H10(1)+C7H9(26) 5.040000e-02 4.340 31.040

1360.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.4	+0.9	+3.3	+4.7

Arrhenius(A=(0.0708,'cm^3/(mol*s)'), n=4.34, Ea=(95.3952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1653 used for Cd/H/Cd;C_rad/H/CdCs Exact match found for rate rule [Cd/H/Cd;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = 21.84
S298 (cal/mol*K) = -13.72
G298 (kcal/mol) = 25.93

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H10(1), C7H9(27); ! From training reaction 1653 used for Cd/H/Cd;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/Cd;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H9(5)=C7H10(1)+C7H9(27) 7.080000e-02 4.340 22.800

1361.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -67.26
S298 (cal/mol*K) = -20.17
G298 (kcal/mol) = -61.25

! Template reaction: Disproportionation ! Flux pairs: C7H9(24), C7H11(22); C7H12(293), C7H10(1); ! From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(24)+C7H12(293)=C7H10(1)+C7H11(22) 2.052000e+14 -0.350 0.000

1362.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.5	+6.5	+6.5

H298 (kcal/mol) = -67.26
S298 (cal/mol*K) = -20.17
G298 (kcal/mol) = -61.25

1363.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.9	+6.9	+6.8

H298 (kcal/mol) = -46.77
S298 (cal/mol*K) = -31.08
G298 (kcal/mol) = -37.51

1364.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

H298 (kcal/mol) = -46.77
S298 (cal/mol*K) = -31.08
G298 (kcal/mol) = -37.51

1365.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -77.81
S298 (cal/mol*K) = -18.46
G298 (kcal/mol) = -72.31

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H9(26)=C7H10(1)+C7H11(22) 4.840000e+12 0.000 0.000

1366.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -77.81
S298 (cal/mol*K) = -18.46
G298 (kcal/mol) = -72.31

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H9(26)=C7H10(1)+C7H11(22) 1.291927e+13 -0.140 1.200

1367.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -68.61
S298 (cal/mol*K) = -17.36
G298 (kcal/mol) = -63.44

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H9(27)=C7H10(1)+C7H11(22) 4.840000e+12 0.000 0.000

1368.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

Arrhenius(A=(1.29193e+07,'m^3/(mol*s)'), n=-0.14, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -68.61
S298 (cal/mol*K) = -17.36
G298 (kcal/mol) = -63.44

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H9(27)=C7H10(1)+C7H11(22) 1.291927e+13 -0.140 1.200

1369.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.9	+7.0	+7.1

H298 (kcal/mol) = -65.77
S298 (cal/mol*K) = -21.06
G298 (kcal/mol) = -59.50

1370.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -55.22
S298 (cal/mol*K) = -24.15
G298 (kcal/mol) = -48.03

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H10(28)=C7H10(1)+C7H11(22) 2.052000e+14 -0.350 0.000

1371.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.9	+6.9	+6.8

Arrhenius(A=(6.104e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 8.0 family: Disproportionation""")

H298 (kcal/mol) = -42.37
S298 (cal/mol*K) = -14.06
G298 (kcal/mol) = -38.18

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H11(22)+C7H10(33)=C7H10(1)+C7H11(22) 6.104000e+12 0.000 -0.550 DUPLICATE

1372.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+7.2	+7.4	+7.6

Arrhenius(A=(5.152e+09,'cm^3/(mol*s)'), n=1.19, Ea=(2.13384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 0 Multiplied by reaction path degeneracy 8.0 family: Disproportionation""")

H298 (kcal/mol) = -42.37
S298 (cal/mol*K) = -14.06
G298 (kcal/mol) = -38.18

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H11(22)+C7H10(33)=C7H10(1)+C7H11(22) 5.152000e+09 1.190 0.510 DUPLICATE

1373.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

H298 (kcal/mol) = -65.77
S298 (cal/mol*K) = -21.06
G298 (kcal/mol) = -59.50

1374.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.9	+7.1	+7.3

H298 (kcal/mol) = -65.77
S298 (cal/mol*K) = -19.68
G298 (kcal/mol) = -59.91

1375.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -78.62
S298 (cal/mol*K) = -31.14
G298 (kcal/mol) = -69.34

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(40)+C7H10(32)=C7H10(1)+C7H11(22) 2.000000e+10 0.000 0.000 DUPLICATE

1376.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -68.07
S298 (cal/mol*K) = -34.23
G298 (kcal/mol) = -57.87

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(40)+C7H10(28)=C7H10(1)+C7H11(22) 1.026000e+14 -0.350 0.000

1377.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -55.22
S298 (cal/mol*K) = -24.15
G298 (kcal/mol) = -48.03

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(33)+C7H11(40)=C7H10(1)+C7H11(22) 3.052000e+12 0.000 -0.550 DUPLICATE

1378.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.6	+4.6	+4.6	+4.6

Arrhenius(A=(4e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -55.22
S298 (cal/mol*K) = -24.15
G298 (kcal/mol) = -48.03

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(33)+C7H11(40)=C7H10(1)+C7H11(22) 4.000000e+10 0.000 0.000 DUPLICATE

1379.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -78.62
S298 (cal/mol*K) = -31.14
G298 (kcal/mol) = -69.34

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(40)+C7H10(32)=C7H10(1)+C7H11(22) 2.420000e+12 0.000 0.000 DUPLICATE

1380.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -78.62
S298 (cal/mol*K) = -29.77
G298 (kcal/mol) = -69.75

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(34)+C7H11(40)=C7H10(1)+C7H11(22) 2.000000e+10 0.000 0.000

1381.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.9	+3.9	+4.9	+5.5

H298 (kcal/mol) = -12.85
S298 (cal/mol*K) = -8.71
G298 (kcal/mol) = -10.25

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(22); C7H9(24), C7H10(1); ! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H9(24)=C7H10(1)+C7H11(22) 3.412000e-03 4.340 3.100

1383.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-7.3	-0.2	+2.6	+4.1

Arrhenius(A=(0.0504,'cm^3/(mol*s)'), n=4.34, Ea=(112.591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = 23.40
S298 (cal/mol*K) = 7.00
G298 (kcal/mol) = 21.31

! Template reaction: H_Abstraction ! Flux pairs: C7H11(22), C7H12(16); C7H10(1), C7H9(26); ! From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H11(22)=C7H12(16)+C7H9(26) 5.040000e-02 4.340 26.910

1384.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.4	+0.9	+3.3	+4.7

H298 (kcal/mol) = 14.20
S298 (cal/mol*K) = 5.90
G298 (kcal/mol) = 12.44

! Template reaction: H_Abstraction ! Flux pairs: C7H11(22), C7H12(16); C7H10(1), C7H9(27); ! From training reaction 1653 used for Cd/H/Cd;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/Cd;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H11(22)=C7H12(16)+C7H9(27) 7.080000e-02 4.340 22.800

1385.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

Arrhenius(A=(1.026e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -61.72
S298 (cal/mol*K) = -12.86
G298 (kcal/mol) = -57.89

! Template reaction: Disproportionation ! Flux pairs: C7H9(24), C7H10(21); C7H11(283), C7H10(1); ! From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(24)+C7H11(283)=C7H10(1)+C7H10(21) 1.026000e+14 -0.350 0.000

1386.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -41.23
S298 (cal/mol*K) = -23.77
G298 (kcal/mol) = -34.15

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(5)+C7H11(283)=C7H10(1)+C7H10(21) 3.052000e+12 0.000 -0.550

1387.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -72.27
S298 (cal/mol*K) = -11.15
G298 (kcal/mol) = -68.95

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(283)+C7H9(26)=C7H10(1)+C7H10(21) 2.420000e+12 0.000 0.000

1388.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -63.07
S298 (cal/mol*K) = -10.05
G298 (kcal/mol) = -60.08

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(283)+C7H9(27)=C7H10(1)+C7H10(21) 2.420000e+12 0.000 0.000

1389.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.7	+6.6	+6.5

H298 (kcal/mol) = -40.17
S298 (cal/mol*K) = -15.56
G298 (kcal/mol) = -35.54

1390.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -55.22
S298 (cal/mol*K) = -23.69
G298 (kcal/mol) = -48.17

1391.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -53.17
S298 (cal/mol*K) = -22.77
G298 (kcal/mol) = -46.39

1392.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

H298 (kcal/mol) = -69.27
S298 (cal/mol*K) = -21.06
G298 (kcal/mol) = -63.00

1393.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.4	+6.3	+6.2

H298 (kcal/mol) = -53.02
S298 (cal/mol*K) = -25.64
G298 (kcal/mol) = -45.38

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;Cpri_Rrad] for rate rule [C_rad/Cs2;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(44)+C7H11(40)=C7H10(1)+C7H10(21) 4.320000e+14 -0.750 0.000

1394.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -68.07
S298 (cal/mol*K) = -33.77
G298 (kcal/mol) = -58.01

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(45)+C7H11(40)=C7H10(1)+C7H10(21) 1.026000e+14 -0.350 0.000

1395.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -66.02
S298 (cal/mol*K) = -32.86
G298 (kcal/mol) = -56.23

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(46)+C7H11(40)=C7H10(1)+C7H10(21) 1.026000e+14 -0.350 0.000

1396.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -82.12
S298 (cal/mol*K) = -31.14
G298 (kcal/mol) = -72.84

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(47)+C7H11(40)=C7H10(1)+C7H10(21) 2.420000e+12 0.000 0.000

1397.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

Arrhenius(A=(1.026e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -56.08
S298 (cal/mol*K) = -9.77
G298 (kcal/mol) = -53.17

! Template reaction: Disproportionation ! Flux pairs: C7H9(24), C7H11(46); C7H12(295), C7H10(1); ! Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(24)+C7H12(295)=C7H10(1)+C7H11(46) 1.026000e+14 -0.350 0.000

1398.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -69.27
S298 (cal/mol*K) = -15.88
G298 (kcal/mol) = -64.54

1399.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -69.15
S298 (cal/mol*K) = -13.94
G298 (kcal/mol) = -65.00

1400.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.0	+5.9	+5.9	+5.8

H298 (kcal/mol) = -53.48
S298 (cal/mol*K) = -6.34
G298 (kcal/mol) = -51.60

! Template reaction: Disproportionation ! Estimated using average of templates [C_sec_rad;Cmethyl_Csrad/H/Cd] + [C_rad/H/NonDeC;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H9(24)+C7H12(298)=C7H10(1)+C7H11(46) 9.744229e+12 -0.350 0.000

1401.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

H298 (kcal/mol) = -35.59
S298 (cal/mol*K) = -20.68
G298 (kcal/mol) = -29.43

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(5)+C7H12(295)=C7H10(1)+C7H11(46) 3.052000e+12 0.000 -0.550

1402.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -48.78
S298 (cal/mol*K) = -26.79
G298 (kcal/mol) = -40.80

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(5)+C7H12(296)=C7H10(1)+C7H11(46) 3.052000e+12 0.000 -0.550

1403.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -48.66
S298 (cal/mol*K) = -24.85
G298 (kcal/mol) = -41.26

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(5)+C7H12(297)=C7H10(1)+C7H11(46) 3.052000e+12 0.000 -0.550

1404.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.5	+5.5	+5.5	+5.5

H298 (kcal/mol) = -32.99
S298 (cal/mol*K) = -17.25
G298 (kcal/mol) = -27.85

1405.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -66.63
S298 (cal/mol*K) = -8.06
G298 (kcal/mol) = -64.23

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H9(26)=C7H10(1)+C7H11(46) 2.420000e+12 0.000 0.000

1406.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.82
S298 (cal/mol*K) = -14.17
G298 (kcal/mol) = -75.60

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H9(26)=C7H10(1)+C7H11(46) 2.420000e+12 0.000 0.000

1407.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.70
S298 (cal/mol*K) = -12.23
G298 (kcal/mol) = -76.06

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H9(26)=C7H10(1)+C7H11(46) 2.420000e+12 0.000 0.000

1408.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

H298 (kcal/mol) = -64.03
S298 (cal/mol*K) = -4.62
G298 (kcal/mol) = -62.66

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H9(26)=C7H10(1)+C7H11(46) 4.560000e+14 -0.700 0.000

1409.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -57.43
S298 (cal/mol*K) = -6.96
G298 (kcal/mol) = -55.36

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H9(27)=C7H10(1)+C7H11(46) 2.420000e+12 0.000 0.000

1410.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.62
S298 (cal/mol*K) = -13.07
G298 (kcal/mol) = -66.73

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H9(27)=C7H10(1)+C7H11(46) 2.420000e+12 0.000 0.000

1411.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.50
S298 (cal/mol*K) = -11.13
G298 (kcal/mol) = -67.19

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H9(27)=C7H10(1)+C7H11(46) 2.420000e+12 0.000 0.000

1412.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -54.83
S298 (cal/mol*K) = -3.52
G298 (kcal/mol) = -53.78

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H9(27)=C7H10(1)+C7H11(46) 4.560000e+14 -0.700 0.000

1413.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.9	+7.0	+7.1

H298 (kcal/mol) = -66.97
S298 (cal/mol*K) = -16.64
G298 (kcal/mol) = -62.02

1414.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.9	+7.1	+7.3

H298 (kcal/mol) = -33.26
S298 (cal/mol*K) = -13.83
G298 (kcal/mol) = -29.14

1416.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

H298 (kcal/mol) = -65.77
S298 (cal/mol*K) = -19.68
G298 (kcal/mol) = -59.91

1417.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -56.57
S298 (cal/mol*K) = -18.58
G298 (kcal/mol) = -51.04

1418.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -56.57
S298 (cal/mol*K) = -18.58
G298 (kcal/mol) = -51.04

1419.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

H298 (kcal/mol) = -67.97
S298 (cal/mol*K) = -19.26
G298 (kcal/mol) = -62.23

1420.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -79.82
S298 (cal/mol*K) = -26.72
G298 (kcal/mol) = -71.86

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(282)+C7H11(40)=C7H10(1)+C7H11(46) 2.000000e+10 0.000 0.000

1421.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -46.11
S298 (cal/mol*K) = -23.91
G298 (kcal/mol) = -38.99

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(89)+C7H11(40)=C7H10(1)+C7H11(46) 2.000000e+10 0.000 0.000

1423.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -78.62
S298 (cal/mol*K) = -29.77
G298 (kcal/mol) = -69.75

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(95)+C7H11(40)=C7H10(1)+C7H11(46) 2.420000e+12 0.000 0.000

1424.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -69.42
S298 (cal/mol*K) = -28.67
G298 (kcal/mol) = -60.88

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(96)+C7H11(40)=C7H10(1)+C7H11(46) 2.420000e+12 0.000 0.000

1425.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -69.42
S298 (cal/mol*K) = -28.67
G298 (kcal/mol) = -60.88

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(97)+C7H11(40)=C7H10(1)+C7H11(46) 2.420000e+12 0.000 0.000

1426.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.3	+5.3	+5.3	+5.3

H298 (kcal/mol) = -80.82
S298 (cal/mol*K) = -29.35
G298 (kcal/mol) = -72.08

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] + [Cd_pri_rad;Cpri_Rrad] for rate rule [Cd_pri_rad;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(37)+C7H11(40)=C7H10(1)+C7H11(46) 2.200000e+11 0.000 0.000

1427.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.4	+2.6	+3.9	+4.7

Arrhenius(A=(2.16387e-09,'m^3/(mol*s)'), n=4.29, Ea=(31.5317,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -2.65
S298 (cal/mol*K) = 1.48
G298 (kcal/mol) = -3.09

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H10(1), C7H9(24); ! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(1)+C7H11(46)=C7H9(24)+C7H12(299) 2.163867e-03 4.290 7.536

1428.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.7	+3.8	+4.8	+5.5

Arrhenius(A=(3.612e-09,'m^3/(mol*s)'), n=4.34, Ea=(14.644,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = -23.14
S298 (cal/mol*K) = 12.39
G298 (kcal/mol) = -26.83

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H10(1), C7H9(5); ! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H11(46)=C7H9(5)+C7H12(299) 3.612000e-03 4.340 3.500

1429.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+3.8	+4.9	+5.7

Arrhenius(A=(9.33e-11,'m^3/(mol*s)'), n=4.87, Ea=(14.644,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H3/Cs\H2\Cs;Cd_rad/NonDeC] Euclidian distance = 0 Multiplied by reaction path degeneracy 3.0 family: H_Abstraction""")

H298 (kcal/mol) = -7.90
S298 (cal/mol*K) = 0.23
G298 (kcal/mol) = -7.97

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H9(26), C7H10(1); ! Estimated using an average for rate rule [C/H3/Cs\H2\Cs;Cd_rad/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H9(26)+C7H12(299)=C7H10(1)+C7H11(46) 9.330000e-05 4.870 3.500

1430.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.1	+2.4	+3.8	+4.7

Arrhenius(A=(0.00296,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using an average for rate rule [Cd/H/Cd;C_rad/H2/Cs] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -1.33
G298 (kcal/mol) = -0.90

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H10(1), C7H9(27); ! Estimated using an average for rate rule [Cd/H/Cd;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(1)+C7H11(46)=C7H9(27)+C7H12(299) 2.960000e-03 4.340 9.700

1431.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -54.41
S298 (cal/mol*K) = -10.08
G298 (kcal/mol) = -51.41

! Template reaction: Disproportionation ! Flux pairs: C7H9(24), C7H11(40); C7H12(294), C7H10(1); ! From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(24)+C7H12(294)=C7H10(1)+C7H11(40) 2.052000e+14 -0.350 0.000

1432.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -54.41
S298 (cal/mol*K) = -10.08
G298 (kcal/mol) = -51.41

! Template reaction: Disproportionation ! From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(24)+C7H12(300)=C7H10(1)+C7H11(40) 2.052000e+14 -0.350 0.000

1433.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.9	+6.9	+6.8

H298 (kcal/mol) = -33.92
S298 (cal/mol*K) = -20.99
G298 (kcal/mol) = -27.67

1434.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.9	+6.9	+6.8

H298 (kcal/mol) = -33.92
S298 (cal/mol*K) = -20.99
G298 (kcal/mol) = -27.67

1435.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.96
S298 (cal/mol*K) = -8.37
G298 (kcal/mol) = -62.47

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H9(26)=C7H10(1)+C7H11(40) 4.840000e+12 0.000 0.000

1436.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.96
S298 (cal/mol*K) = -8.37
G298 (kcal/mol) = -62.47

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(26)+C7H12(300)=C7H10(1)+C7H11(40) 4.840000e+12 0.000 0.000

1437.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -55.76
S298 (cal/mol*K) = -7.27
G298 (kcal/mol) = -53.60

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H9(27)=C7H10(1)+C7H11(40) 4.840000e+12 0.000 0.000

1438.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -55.76
S298 (cal/mol*K) = -7.27
G298 (kcal/mol) = -53.60

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(27)+C7H12(300)=C7H10(1)+C7H11(40) 4.840000e+12 0.000 0.000

1439.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.9	+7.0	+7.1

H298 (kcal/mol) = -69.62
S298 (cal/mol*K) = -12.97
G298 (kcal/mol) = -65.76

1440.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.7	+7.6	+7.5	+7.5

Arrhenius(A=(4.104e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 8.0 family: Disproportionation""")

H298 (kcal/mol) = -55.22
S298 (cal/mol*K) = -21.39
G298 (kcal/mol) = -48.85

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H11(22)+C7H10(31)=C7H10(1)+C7H11(40) 4.104000e+14 -0.350 0.000

1441.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

H298 (kcal/mol) = -42.37
S298 (cal/mol*K) = -14.06
G298 (kcal/mol) = -38.18

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H10(28)=C7H10(1)+C7H11(40) 3.052000e+12 0.000 -0.550

1442.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.9	+7.1	+7.3

H298 (kcal/mol) = -55.22
S298 (cal/mol*K) = -22.77
G298 (kcal/mol) = -48.44

1443.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+7.2	+7.4	+7.6

H298 (kcal/mol) = -29.52
S298 (cal/mol*K) = -3.97
G298 (kcal/mol) = -28.34

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H11(22)+C7H10(33)=C7H10(1)+C7H11(40) 5.152000e+09 1.190 0.510

1444.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

H298 (kcal/mol) = -65.77
S298 (cal/mol*K) = -19.68
G298 (kcal/mol) = -59.91

1445.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

H298 (kcal/mol) = -65.77
S298 (cal/mol*K) = -19.68
G298 (kcal/mol) = -59.91

1446.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -82.47
S298 (cal/mol*K) = -23.06
G298 (kcal/mol) = -75.60

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(288)+C7H11(40)=C7H10(1)+C7H11(40) 2.000000e+10 0.000 0.000

1447.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

Arrhenius(A=(2.052e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -68.07
S298 (cal/mol*K) = -31.48
G298 (kcal/mol) = -58.69

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(40)+C7H10(31)=C7H10(1)+C7H11(40) 2.052000e+14 -0.350 0.000

1448.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

Arrhenius(A=(1.526e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -55.22
S298 (cal/mol*K) = -24.15
G298 (kcal/mol) = -48.03

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(40)+C7H10(28)=C7H10(1)+C7H11(40) 1.526000e+12 0.000 -0.550

1449.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -68.07
S298 (cal/mol*K) = -32.86
G298 (kcal/mol) = -58.28

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(35)+C7H11(40)=C7H10(1)+C7H11(40) 2.000000e+10 0.000 0.000

1450.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.6	+4.6	+4.6	+4.6

H298 (kcal/mol) = -42.37
S298 (cal/mol*K) = -14.06
G298 (kcal/mol) = -38.18

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(33)+C7H11(40)=C7H10(1)+C7H11(40) 4.000000e+10 0.000 0.000

1451.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -78.62
S298 (cal/mol*K) = -29.77
G298 (kcal/mol) = -69.75

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(40)+C7H10(30)=C7H10(1)+C7H11(40) 2.420000e+12 0.000 0.000

1452.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -78.62
S298 (cal/mol*K) = -29.77
G298 (kcal/mol) = -69.75

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(40)+C7H10(29)=C7H10(1)+C7H11(40) 2.420000e+12 0.000 0.000

1453.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.1	+2.9	+4.2	+5.0

Arrhenius(A=(5.1475e-09,'m^3/(mol*s)'), n=4.29, Ea=(32.2691,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(40); C7H9(24), C7H10(1); ! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H9(24)=C7H10(1)+C7H11(40) 5.147495e-03 4.290 7.713

1455.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+2.9	+4.7	+5.6	+6.2

Arrhenius(A=(1.92413e-08,'m^3/(mol*s)'), n=4.29, Ea=(8.8387,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/NonDeC;Cd_rad/NonDeC] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = -10.55
S298 (cal/mol*K) = 3.09
G298 (kcal/mol) = -11.47

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(40); C7H9(26), C7H10(1); ! Estimated using an average for rate rule [C/H2/NonDeC;Cd_rad/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H9(26)=C7H10(1)+C7H11(40) 1.924128e-02 4.290 2.113

1456.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.2	+3.1	+4.5	+5.4

Arrhenius(A=(1.76713e-08,'m^3/(mol*s)'), n=4.29, Ea=(38.8589,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/NonDeC;Cd_rad/Cd] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = -1.35
S298 (cal/mol*K) = 4.19
G298 (kcal/mol) = -2.60

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(40); C7H9(27), C7H10(1); ! Estimated using an average for rate rule [C/H2/NonDeC;Cd_rad/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H9(27)=C7H10(1)+C7H11(40) 1.767132e-02 4.290 9.288

1461.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.9	-0.1	+2.1	+3.4

Arrhenius(A=(9.87418e-09,'m^3/(mol*s)'), n=4.12615, Ea=(86.3396,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [X_H;C_rad/CdCs2] for rate rule [Orad_O_H;C_rad/CdCs2] Euclidian distance = 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -31.73
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -31.53

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(130), C7H10(153); ! Estimated using template [X_H;C_rad/CdCs2] for rate rule [Orad_O_H;C_rad/CdCs2] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(130)+HO2(43)=O2(2)+C7H10(153) 9.874179e-03 4.126 20.636

1462.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.1	+2.5	+3.6	+4.3

H298 (kcal/mol) = -54.33
S298 (cal/mol*K) = -10.23
G298 (kcal/mol) = -51.28

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(131), C7H10(153); ! Estimated using template [X_H;C_rad/H/NonDeC] for rate rule [Orad_O_H;C_rad/H/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(131)+HO2(43)=O2(2)+C7H10(153) 2.759059e-02 3.802 6.324

1463.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+4.6	+5.4	+5.9

H298 (kcal/mol) = -57.33
S298 (cal/mol*K) = -7.53
G298 (kcal/mol) = -55.08

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(132), C7H10(153); ! Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(132)+HO2(43)=O2(2)+C7H10(153) 6.080974e-02 4.001 0.885

1464.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.0	+2.5	+4.0	+4.9

H298 (kcal/mol) = -48.13
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = -46.21

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(134), C7H10(153); ! Estimated using template [X_H;Cd_rad/Cd] for rate rule [Orad_O_H;Cd_rad/Cd] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(134)+HO2(43)=O2(2)+C7H10(153) 2.547266e-02 4.126 10.322

1465.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.0	+2.5	+4.0	+4.9

H298 (kcal/mol) = -48.13
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = -46.21

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(135), C7H10(153); ! Estimated using template [X_H;Cd_rad/Cd] for rate rule [Orad_O_H;Cd_rad/Cd] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(135)+HO2(43)=O2(2)+C7H10(153) 2.547266e-02 4.126 10.322

1466.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-18.7	-5.6	-1.2	+1.0

Arrhenius(A=(3.55e+13,'cm^3/(mol*s)'), n=0, Ea=(251.082,'kJ/mol'), T0=(1,'K'), comment="""From training reaction 219 used for Cd/H2/NonDeC;O2b Exact match found for rate rule [Cd/H2/NonDeC;O2b] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = 59.53
S298 (cal/mol*K) = 7.11
G298 (kcal/mol) = 57.41

! Template reaction: H_Abstraction ! Flux pairs: O2(2), HO2(43); C7H10(153), C7H9(136); ! From training reaction 219 used for Cd/H2/NonDeC;O2b ! Exact match found for rate rule [Cd/H2/NonDeC;O2b] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction O2(2)+C7H10(153)=C7H9(136)+HO2(43) 3.550000e+13 0.000 60.010

1467.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.3	+0.5	+2.5	+3.5

Arrhenius(A=(2.4088e+12,'cm^3/(mol*s)'), n=0, Ea=(112.244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 45 used for O2b;Cdpri_Csrad Exact match found for rate rule [O2b;Cdpri_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = 26.83
S298 (cal/mol*K) = 5.84
G298 (kcal/mol) = 25.09

! Template reaction: Disproportionation ! Flux pairs: C7H9(5), C7H8(255); O2(2), HO2(43); ! From training reaction 45 used for O2b;Cdpri_Csrad ! Exact match found for rate rule [O2b;Cdpri_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation O2(2)+C7H9(5)=C7H8(255)+HO2(43) 2.408800e+12 0.000 26.827

1468.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.4	+5.1	+4.9	+4.9

Arrhenius(A=(49497.5,'m^3/(mol*s)'), n=0, Ea=(-6.8513,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;Y_1centerbirad] Euclidian distance = 1.0 family: H_Abstraction""")

H298 (kcal/mol) = -55.77
S298 (cal/mol*K) = 13.19
G298 (kcal/mol) = -59.70

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H8(261), C7H9(5); ! Estimated using template [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;Y_1centerbirad] ! Euclidian distance = 1.0 ! family: H_Abstraction C7H8(261)+HO2(43)=O2(2)+C7H9(5) 4.949747e+10 0.000 -1.637

1469.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+4.6	+5.4	+5.9

H298 (kcal/mol) = -57.33
S298 (cal/mol*K) = -8.90
G298 (kcal/mol) = -54.67

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H8(257), C7H9(5); ! Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H8(257)+HO2(43)=O2(2)+C7H9(5) 6.080974e-02 4.001 0.885

1471.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.1	+4.3	+5.4	+5.9

Arrhenius(A=(3.666e+13,'cm^3/(mol*s)','*|/',3), n=0, Ea=(62.1324,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(900,'K'), comment="""Estimated using template [O2b;C/H2/Nd_Csrad] for rate rule [O2b;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 8.0 family: Disproportionation""")

H298 (kcal/mol) = -3.61
S298 (cal/mol*K) = 7.55
G298 (kcal/mol) = -5.86

! Template reaction: Disproportionation ! Flux pairs: C7H9(5), C7H8(58); O2(2), HO2(43); ! Estimated using template [O2b;C/H2/Nd_Csrad] for rate rule [O2b;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation O2(2)+C7H9(5)=C7H8(58)+HO2(43) 3.666000e+13 0.000 14.850

1473.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.1	+4.3	+5.4	+5.9

H298 (kcal/mol) = -8.45
S298 (cal/mol*K) = -12.15
G298 (kcal/mol) = -4.83

! Template reaction: Disproportionation ! Flux pairs: C7H11(22), C7H10(1); O2(2), HO2(43); ! Estimated using template [O2b;C/H2/Nd_Csrad] for rate rule [O2b;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation O2(2)+C7H11(22)=C7H10(1)+HO2(43) 3.666000e+13 0.000 14.850

1474.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-2.8	+1.6	+3.1	+3.9

Arrhenius(A=(1.2044e+12,'cm^3/(mol*s)'), n=0, Ea=(85.2993,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 45 used for O2b;Cdpri_Csrad Exact match found for rate rule [O2b;Cdpri_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = 20.39
S298 (cal/mol*K) = 8.49
G298 (kcal/mol) = 17.86

! Template reaction: Disproportionation ! Flux pairs: C7H11(22), C7H10(264); O2(2), HO2(43); ! From training reaction 45 used for O2b;Cdpri_Csrad ! Exact match found for rate rule [O2b;Cdpri_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O2(2)+C7H11(22)=C7H10(264)+HO2(43) 1.204400e+12 0.000 20.387

1475.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.4	+5.1	+4.9	+4.9

H298 (kcal/mol) = -57.33
S298 (cal/mol*K) = -8.90
G298 (kcal/mol) = -54.67

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(32), C7H11(22); ! Estimated using template [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;Y_1centerbirad] ! Euclidian distance = 1.0 ! family: H_Abstraction C7H10(32)+HO2(43)=O2(2)+C7H11(22) 4.949747e+10 0.000 -1.637 DUPLICATE

1476.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.1	+2.5	+3.6	+4.3

H298 (kcal/mol) = -46.78
S298 (cal/mol*K) = -11.99
G298 (kcal/mol) = -43.20

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(28), C7H11(22); ! Estimated using template [X_H;C_rad/H/NonDeC] for rate rule [Orad_O_H;C_rad/H/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H10(28)+HO2(43)=O2(2)+C7H11(22) 2.759059e-02 3.802 6.324

1477.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+4.6	+5.4	+5.9

H298 (kcal/mol) = -57.33
S298 (cal/mol*K) = -8.90
G298 (kcal/mol) = -54.67

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(32), C7H11(22); ! Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H10(32)+HO2(43)=O2(2)+C7H11(22) 6.080974e-02 4.001 0.885 DUPLICATE

1480.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.9	-0.1	+2.1	+3.4

H298 (kcal/mol) = -31.73
S298 (cal/mol*K) = -3.40
G298 (kcal/mol) = -30.71

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(44), C7H10(21); ! Estimated using template [X_H;C_rad/CdCs2] for rate rule [Orad_O_H;C_rad/CdCs2] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(44)+HO2(43)=O2(2)+C7H10(21) 9.874179e-03 4.126 20.636

1481.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.1	+2.5	+3.6	+4.3

H298 (kcal/mol) = -46.78
S298 (cal/mol*K) = -11.53
G298 (kcal/mol) = -43.34

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(45), C7H10(21); ! Estimated using template [X_H;C_rad/H/NonDeC] for rate rule [Orad_O_H;C_rad/H/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(45)+HO2(43)=O2(2)+C7H10(21) 2.759059e-02 3.802 6.324

1482.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.1	+2.5	+3.6	+4.3

H298 (kcal/mol) = -44.73
S298 (cal/mol*K) = -10.62
G298 (kcal/mol) = -41.56

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(46), C7H10(21); ! Estimated using template [X_H;C_rad/H/NonDeC] for rate rule [Orad_O_H;C_rad/H/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(46)+HO2(43)=O2(2)+C7H10(21) 2.759059e-02 3.802 6.324

1483.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+4.6	+5.4	+5.9

H298 (kcal/mol) = -60.83
S298 (cal/mol*K) = -8.90
G298 (kcal/mol) = -58.17

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(47), C7H10(21); ! Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(47)+HO2(43)=O2(2)+C7H10(21) 6.080974e-02 4.001 0.885

1484.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+0.8	+4.0	+5.1	+5.6

Arrhenius(A=(1.833e+13,'cm^3/(mol*s)','*|/',3), n=0, Ea=(62.1324,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(900,'K'), comment="""From training reaction 15 used for O2b;C/H2/Nd_Csrad Exact match found for rate rule [O2b;C/H2/Nd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -18.12
S298 (cal/mol*K) = 0.63
G298 (kcal/mol) = -18.31

! Template reaction: Disproportionation ! Flux pairs: C7H11(46), C7H10(146); O2(2), HO2(43); ! From training reaction 15 used for O2b;C/H2/Nd_Csrad ! Exact match found for rate rule [O2b;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation O2(2)+C7H11(46)=C7H10(146)+HO2(43) 1.833000e+13 0.000 14.850

1485.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.4	+5.1	+4.9	+4.9

H298 (kcal/mol) = -58.53
S298 (cal/mol*K) = -4.48
G298 (kcal/mol) = -57.19

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(282), C7H11(46); ! Estimated using template [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;Y_1centerbirad] ! Euclidian distance = 1.0 ! family: H_Abstraction C7H10(282)+HO2(43)=O2(2)+C7H11(46) 4.949747e+10 0.000 -1.637

1486.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.4	+0.5	+2.8	+4.1

Arrhenius(A=(5.68954e-08,'m^3/(mol*s)'), n=4.12615, Ea=(88.7725,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [X_H;C_rad/H/CdCs] for rate rule [Orad_O_H;C_rad/H/CdCs] Euclidian distance = 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -25.39
S298 (cal/mol*K) = -5.52
G298 (kcal/mol) = -23.74

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(18), C7H11(46); ! Estimated using template [X_H;C_rad/H/CdCs] for rate rule [Orad_O_H;C_rad/H/CdCs] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H10(18)+HO2(43)=O2(2)+C7H11(46) 5.689542e-02 4.126 21.217

1487.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+4.6	+5.4	+5.9

H298 (kcal/mol) = -57.33
S298 (cal/mol*K) = -7.53
G298 (kcal/mol) = -55.08

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(95), C7H11(46); ! Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H10(95)+HO2(43)=O2(2)+C7H11(46) 6.080974e-02 4.001 0.885

1488.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.0	+2.5	+4.0	+4.9

H298 (kcal/mol) = -48.13
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = -46.21

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(96), C7H11(46); ! Estimated using template [X_H;Cd_rad/Cd] for rate rule [Orad_O_H;Cd_rad/Cd] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H10(96)+HO2(43)=O2(2)+C7H11(46) 2.547266e-02 4.126 10.322

1489.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.0	+2.5	+4.0	+4.9

H298 (kcal/mol) = -48.13
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = -46.21

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(97), C7H11(46); ! Estimated using template [X_H;Cd_rad/Cd] for rate rule [Orad_O_H;Cd_rad/Cd] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H10(97)+HO2(43)=O2(2)+C7H11(46) 2.547266e-02 4.126 10.322

1490.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-18.7	-5.6	-1.2	+1.0

H298 (kcal/mol) = 59.53
S298 (cal/mol*K) = 7.11
G298 (kcal/mol) = 57.41

! Template reaction: H_Abstraction ! Flux pairs: O2(2), HO2(43); C7H11(46), C7H10(37); ! From training reaction 219 used for Cd/H2/NonDeC;O2b ! Exact match found for rate rule [Cd/H2/NonDeC;O2b] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction O2(2)+C7H11(46)=C7H10(37)+HO2(43) 3.550000e+13 0.000 60.010

1492.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+0.8	+4.0	+5.1	+5.6

H298 (kcal/mol) = -19.34
S298 (cal/mol*K) = -2.38
G298 (kcal/mol) = -18.63

! Template reaction: Disproportionation ! Flux pairs: C7H11(40), C7H10(65); O2(2), HO2(43); ! From training reaction 15 used for O2b;C/H2/Nd_Csrad ! Exact match found for rate rule [O2b;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation O2(2)+C7H11(40)=C7H10(65)+HO2(43) 1.833000e+13 0.000 14.850

1493.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.6	+4.6	+4.6	+4.6

Arrhenius(A=(4e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 71 used for O2b;C/H2/Cd_Csrad Exact match found for rate rule [O2b;C/H2/Cd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -21.30
S298 (cal/mol*K) = -22.24
G298 (kcal/mol) = -14.67

! Template reaction: Disproportionation ! Flux pairs: C7H11(40), C7H10(1); O2(2), HO2(43); ! From training reaction 71 used for O2b;C/H2/Cd_Csrad ! Exact match found for rate rule [O2b;C/H2/Cd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation O2(2)+C7H11(40)=C7H10(1)+HO2(43) 4.000000e+10 0.000 0.000

1494.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.4	+5.1	+4.9	+4.9

H298 (kcal/mol) = -61.18
S298 (cal/mol*K) = -0.82
G298 (kcal/mol) = -60.93

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(288), C7H11(40); ! Estimated using template [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;Y_1centerbirad] ! Euclidian distance = 1.0 ! family: H_Abstraction C7H10(288)+HO2(43)=O2(2)+C7H11(40) 4.949747e+10 0.000 -1.637

1495.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+0.2	+2.8	+3.9	+4.6

Arrhenius(A=(5.51812e-08,'m^3/(mol*s)'), n=3.80154, Ea=(26.4597,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [X_H;C_rad/H/NonDeC] for rate rule [Orad_O_H;C_rad/H/NonDeC] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -46.78
S298 (cal/mol*K) = -9.24
G298 (kcal/mol) = -44.02

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(31), C7H11(40); ! Estimated using template [X_H;C_rad/H/NonDeC] for rate rule [Orad_O_H;C_rad/H/NonDeC] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(31)+HO2(43)=O2(2)+C7H11(40) 5.518118e-02 3.802 6.324

1496.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.4	+0.5	+2.8	+4.1

H298 (kcal/mol) = -33.93
S298 (cal/mol*K) = -1.91
G298 (kcal/mol) = -33.36

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(28), C7H11(40); ! Estimated using template [X_H;C_rad/H/CdCs] for rate rule [Orad_O_H;C_rad/H/CdCs] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H10(28)+HO2(43)=O2(2)+C7H11(40) 5.689542e-02 4.126 21.217

1497.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+4.6	+5.4	+5.9

H298 (kcal/mol) = -57.33
S298 (cal/mol*K) = -7.53
G298 (kcal/mol) = -55.08

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(30), C7H11(40); ! Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H10(30)+HO2(43)=O2(2)+C7H11(40) 6.080974e-02 4.001 0.885

1498.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+4.6	+5.4	+5.9

H298 (kcal/mol) = -57.33
S298 (cal/mol*K) = -7.53
G298 (kcal/mol) = -55.08

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(29), C7H11(40); ! Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H10(29)+HO2(43)=O2(2)+C7H11(40) 6.080974e-02 4.001 0.885

1500.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.7	+6.6	+6.5

Arrhenius(A=(8.64e+14,'cm^3/(mol*s)','*|/',2), n=-0.75, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_ter_rad;C/H2/Nd_Csrad] for rate rule [C_rad/Cs2;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -47.81
S298 (cal/mol*K) = 6.82
G298 (kcal/mol) = -49.85

! Template reaction: Disproportionation ! Flux pairs: C7H9(130), C7H9(5); C7H10(33), C7H10(153); ! Estimated using template [C_ter_rad;C/H2/Nd_Csrad] for rate rule [C_rad/Cs2;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(130)+C7H10(33)=C7H10(153)+C7H9(5) 8.640000e+14 -0.750 0.000

1501.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.4	+6.4	+6.3

Arrhenius(A=(4.63579e+08,'m^3/(mol*s)'), n=-0.67, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [C_ter_rad;XH_s_Rrad] for rate rule [C_rad/Cs2;XH_s_Rrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -60.66
S298 (cal/mol*K) = -3.27
G298 (kcal/mol) = -59.69

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;XH_s_Rrad] for rate rule [C_rad/Cs2;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(130)+C7H10(28)=C7H10(153)+C7H9(5) 4.635794e+14 -0.670 1.200

1502.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -70.41
S298 (cal/mol*K) = -2.76
G298 (kcal/mol) = -69.59

! Template reaction: Disproportionation ! From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(131)+C7H10(33)=C7H10(153)+C7H9(5) 2.052000e+14 -0.350 0.000

1503.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.5	+6.5	+6.5

H298 (kcal/mol) = -83.26
S298 (cal/mol*K) = -12.85
G298 (kcal/mol) = -79.44

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/NonDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(131)+C7H10(28)=C7H10(153)+C7H9(5) 3.944070e+13 -0.280 1.200

1504.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -73.41
S298 (cal/mol*K) = -0.06
G298 (kcal/mol) = -73.40

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(132)+C7H10(33)=C7H10(153)+C7H9(5) 4.840000e+12 0.000 0.000

1505.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -86.26
S298 (cal/mol*K) = -10.15
G298 (kcal/mol) = -83.24

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(132)+C7H10(28)=C7H10(153)+C7H9(5) 1.291927e+13 -0.140 1.200

1506.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.21
S298 (cal/mol*K) = 1.04
G298 (kcal/mol) = -64.52

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(135)+C7H10(33)=C7H10(153)+C7H9(5) 4.840000e+12 0.000 0.000

1507.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

Arrhenius(A=(1.29193e+07,'m^3/(mol*s)'), n=-0.14, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -77.06
S298 (cal/mol*K) = -9.05
G298 (kcal/mol) = -74.37

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(135)+C7H10(28)=C7H10(153)+C7H9(5) 1.291927e+13 -0.140 1.200

1508.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.21
S298 (cal/mol*K) = 1.04
G298 (kcal/mol) = -64.52

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(134)+C7H10(33)=C7H10(153)+C7H9(5) 4.840000e+12 0.000 0.000

1509.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

Arrhenius(A=(1.29193e+07,'m^3/(mol*s)'), n=-0.14, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -77.06
S298 (cal/mol*K) = -9.05
G298 (kcal/mol) = -74.37

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(134)+C7H10(28)=C7H10(153)+C7H9(5) 1.291927e+13 -0.140 1.200

1510.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 29 used for Cd_pri_rad;C/H2/Nd_Csrad Exact match found for rate rule [Cd_pri_rad;C/H2/Nd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -75.61
S298 (cal/mol*K) = 0.36
G298 (kcal/mol) = -75.72

! Template reaction: Disproportionation ! From training reaction 29 used for Cd_pri_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Cd_pri_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(136)+C7H10(33)=C7H10(153)+C7H9(5) 4.840000e+12 0.000 0.000

1511.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

Arrhenius(A=(1.29193e+07,'m^3/(mol*s)'), n=-0.14, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [Cd_pri_rad;XH_s_Rrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -88.46
S298 (cal/mol*K) = -9.73
G298 (kcal/mol) = -85.57

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Cd_pri_rad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(136)+C7H10(28)=C7H10(153)+C7H9(5) 1.291927e+13 -0.140 1.200

1512.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.6	+6.7	+6.8

Arrhenius(A=(68282.9,'m^3/(mol*s)'), n=0.595, Ea=(1.06692,'kJ/mol'), T0=(1,'K'), comment="""Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Nd_Csrad/H/Cd] + [Y_1centerbirad;C/H2/Nd_Csrad] for rate rule [Y_1centerbirad;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -64.82
S298 (cal/mol*K) = 14.04
G298 (kcal/mol) = -69.01

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Nd_Csrad/H/Cd] + [Y_1centerbirad;C/H2/Nd_Csrad] for rate rule ! [Y_1centerbirad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(289)+C7H8(261)=C7H10(153)+C7H9(5) 6.828294e+10 0.595 0.255

1513.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

H298 (kcal/mol) = -42.98
S298 (cal/mol*K) = -1.06
G298 (kcal/mol) = -42.67

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(289)+C7H8(256)=C7H10(153)+C7H9(5) 3.052000e+12 0.000 -0.550

1514.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -66.38
S298 (cal/mol*K) = -8.06
G298 (kcal/mol) = -63.98

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(289)+C7H8(257)=C7H10(153)+C7H9(5) 2.420000e+12 0.000 0.000

1515.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.1	+6.6	+6.8	+7.0

Arrhenius(A=(1.288e+09,'cm^3/(mol*s)'), n=1.19, Ea=(2.13384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -64.82
S298 (cal/mol*K) = 12.66
G298 (kcal/mol) = -68.60

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(289)+C7H8(258)=C7H10(153)+C7H9(5) 1.288000e+09 1.190 0.510

1516.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -78.01
S298 (cal/mol*K) = 8.39
G298 (kcal/mol) = -80.51

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(290)+C7H8(261)=C7H10(153)+C7H9(5) 2.000000e+10 0.000 0.000

1517.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -56.17
S298 (cal/mol*K) = -6.71
G298 (kcal/mol) = -54.17

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(290)+C7H8(256)=C7H10(153)+C7H9(5) 3.052000e+12 0.000 -0.550

1518.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.57
S298 (cal/mol*K) = -13.71
G298 (kcal/mol) = -75.49

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(290)+C7H8(257)=C7H10(153)+C7H9(5) 2.420000e+12 0.000 0.000

1519.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -78.01
S298 (cal/mol*K) = 7.01
G298 (kcal/mol) = -80.10

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(290)+C7H8(258)=C7H10(153)+C7H9(5) 2.000000e+10 0.000 0.000

1520.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -78.14
S298 (cal/mol*K) = 9.87
G298 (kcal/mol) = -81.08

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(291)+C7H8(261)=C7H10(153)+C7H9(5) 2.000000e+10 0.000 0.000

1521.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -56.30
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -54.74

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(291)+C7H8(256)=C7H10(153)+C7H9(5) 3.052000e+12 0.000 -0.550

1522.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.70
S298 (cal/mol*K) = -12.23
G298 (kcal/mol) = -76.06

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(291)+C7H8(257)=C7H10(153)+C7H9(5) 2.420000e+12 0.000 0.000

1523.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -78.14
S298 (cal/mol*K) = 8.49
G298 (kcal/mol) = -80.67

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(291)+C7H8(258)=C7H10(153)+C7H9(5) 2.000000e+10 0.000 0.000

1524.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.7	+5.9	+6.3	+6.5

Arrhenius(A=(1.27624e+07,'m^3/(mol*s)'), n=0, Ea=(23.012,'kJ/mol'), T0=(1,'K'), comment="""Estimated using average of templates [Y_rad_birad_trirad_quadrad;Cmethyl_Csrad/H/Cd] + [Y_1centerbirad;Cmethyl_Csrad] for rate rule [Y_1centerbirad;Cmethyl_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -62.22
S298 (cal/mol*K) = 17.47
G298 (kcal/mol) = -67.43

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;Cmethyl_Csrad/H/Cd] + [Y_1centerbirad;Cmethyl_Csrad] for rate rule ! [Y_1centerbirad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H8(261)+C7H11(292)=C7H10(153)+C7H9(5) 1.276238e+13 0.000 5.500

1525.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.5	+5.5	+5.5	+5.5

H298 (kcal/mol) = -40.38
S298 (cal/mol*K) = 2.37
G298 (kcal/mol) = -41.09

! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;Cmethyl_Csrad/H/Cd] for rate rule [C_rad/H/OneDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 6.0 ! family: Disproportionation C7H8(256)+C7H11(292)=C7H10(153)+C7H9(5) 3.000000e+11 0.000 0.000

1526.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

H298 (kcal/mol) = -63.78
S298 (cal/mol*K) = -4.62
G298 (kcal/mol) = -62.41

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H8(257)+C7H11(292)=C7H10(153)+C7H9(5) 4.560000e+14 -0.700 0.000

1527.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.2	+5.2	+5.2	+5.2

Arrhenius(A=(1.5e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using an average for rate rule [Y_rad;Cmethyl_Csrad/H/Cd] Euclidian distance = 0 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -62.22
S298 (cal/mol*K) = 16.10
G298 (kcal/mol) = -67.02

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H8(258)+C7H11(292)=C7H10(153)+C7H9(5) 1.500000e+11 0.000 0.000

1528.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+0.1	+2.4	+3.5	+4.2

Arrhenius(A=(0.00025,'cm^3/(mol*s)'), n=4.34, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1133 used for C/H2/CdCd;C_rad/CdCs2 Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -7.40
S298 (cal/mol*K) = 1.02
G298 (kcal/mol) = -7.70

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H9(130), C7H10(153); ! From training reaction 1133 used for C/H2/CdCd;C_rad/CdCs2 ! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H9(130)=C7H10(153)+C7H9(5) 2.500000e-04 4.340 4.600

1529.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.0	+2.5	+3.6	+4.4

H298 (kcal/mol) = -30.00
S298 (cal/mol*K) = -8.56
G298 (kcal/mol) = -27.45

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H9(131), C7H10(153); ! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H9(131)=C7H10(153)+C7H9(5) 8.355201e-04 4.260 5.620

1530.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-11.3	-2.2	+1.2	+3.1

Arrhenius(A=(0.0503,'cm^3/(mol*s)'), n=4.34, Ea=(150.791,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1612 used for Cd/H/NonDeC;C_rad/H/CdCd Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCd] Euclidian distance = 0 family: H_Abstraction""")

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 5.86
G298 (kcal/mol) = 31.25

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(65); C7H10(153), C7H9(132); ! From training reaction 1612 used for Cd/H/NonDeC;C_rad/H/CdCd ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCd] ! Euclidian distance = 0 ! family: H_Abstraction C7H10(153)+C7H9(5)=C7H10(65)+C7H9(132) 5.030000e-02 4.340 36.040

1531.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+4.0	+5.1	+5.8

H298 (kcal/mol) = -23.80
S298 (cal/mol*K) = -4.76
G298 (kcal/mol) = -22.38

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H9(134), C7H10(153); ! From training reaction 1145 used for C/H2/CdCd;Cd_rad/Cd ! Exact match found for rate rule [C/H2/CdCd;Cd_rad/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H9(134)=C7H10(153)+C7H9(5) 1.054000e-02 4.340 4.800

1532.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+4.0	+5.1	+5.8

H298 (kcal/mol) = -23.80
S298 (cal/mol*K) = -4.76
G298 (kcal/mol) = -22.38

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H9(135), C7H10(153); ! From training reaction 1145 used for C/H2/CdCd;Cd_rad/Cd ! Exact match found for rate rule [C/H2/CdCd;Cd_rad/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H9(135)=C7H10(153)+C7H9(5) 1.054000e-02 4.340 4.800

1533.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-10.8	-1.7	+1.7	+3.5

Arrhenius(A=(0.14,'cm^3/(mol*s)'), n=4.34, Ea=(150.247,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1573 used for Cd/H2/NonDeC;C_rad/H/CdCd Exact match found for rate rule [Cd/H2/NonDeC;C_rad/H/CdCd] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = 35.20
S298 (cal/mol*K) = 5.44
G298 (kcal/mol) = 33.58

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(65); C7H10(153), C7H9(136); ! From training reaction 1573 used for Cd/H2/NonDeC;C_rad/H/CdCd ! Exact match found for rate rule [Cd/H2/NonDeC;C_rad/H/CdCd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(153)+C7H9(5)=C7H10(65)+C7H9(136) 1.400000e-01 4.340 35.910

1534.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.4	+6.3	+6.2

H298 (kcal/mol) = -73.51
S298 (cal/mol*K) = -11.98
G298 (kcal/mol) = -69.94

1535.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -96.11
S298 (cal/mol*K) = -21.56
G298 (kcal/mol) = -89.69

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(131)+C7H10(35)=C7H10(153)+C7H9(5) 1.026000e+14 -0.350 0.000

1536.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -99.11
S298 (cal/mol*K) = -18.86
G298 (kcal/mol) = -93.49

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(132)+C7H10(35)=C7H10(153)+C7H9(5) 2.420000e+12 0.000 0.000

1537.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -89.91
S298 (cal/mol*K) = -17.76
G298 (kcal/mol) = -84.62

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(135)+C7H10(35)=C7H10(153)+C7H9(5) 2.420000e+12 0.000 0.000

1538.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -89.91
S298 (cal/mol*K) = -17.76
G298 (kcal/mol) = -84.62

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(134)+C7H10(35)=C7H10(153)+C7H9(5) 2.420000e+12 0.000 0.000

1539.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.3	+5.3	+5.3	+5.3

H298 (kcal/mol) = -101.31
S298 (cal/mol*K) = -18.44
G298 (kcal/mol) = -95.82

1540.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.0	+2.3	+3.8	+4.7

Arrhenius(A=(0.0023,'cm^3/(mol*s)'), n=4.34, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCs Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = 5.44
S298 (cal/mol*K) = -20.88
G298 (kcal/mol) = 11.66

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H10(153), C7H9(130); ! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCs ! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(153)+C7H9(5)=C7H10(1)+C7H9(130) 2.300000e-03 4.340 9.300

1541.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.9	+3.9	+4.9	+5.5

H298 (kcal/mol) = -28.04
S298 (cal/mol*K) = 11.30
G298 (kcal/mol) = -31.41

! Template reaction: H_Abstraction ! Flux pairs: C7H10(1), C7H9(5); C7H9(131), C7H10(153); ! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H9(131)=C7H10(153)+C7H9(5) 3.412000e-03 4.340 3.100

1542.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-9.5	-1.4	+1.7	+3.3

Arrhenius(A=(0.0252,'cm^3/(mol*s)'), n=4.34, Ea=(129.871,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = 31.04
S298 (cal/mol*K) = -14.00
G298 (kcal/mol) = 35.21

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H10(153), C7H9(132); ! From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(153)+C7H9(5)=C7H10(1)+C7H9(132) 2.520000e-02 4.340 31.040

1543.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.7	+0.6	+3.0	+4.4

Arrhenius(A=(0.0354,'cm^3/(mol*s)'), n=4.34, Ea=(95.3952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1653 used for Cd/H/Cd;C_rad/H/CdCs Exact match found for rate rule [Cd/H/Cd;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = 21.84
S298 (cal/mol*K) = -15.10
G298 (kcal/mol) = 26.34

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H10(153), C7H9(134); ! From training reaction 1653 used for Cd/H/Cd;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/Cd;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(153)+C7H9(5)=C7H10(1)+C7H9(134) 3.540000e-02 4.340 22.800

1544.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.7	+0.6	+3.0	+4.4

H298 (kcal/mol) = 21.84
S298 (cal/mol*K) = -15.10
G298 (kcal/mol) = 26.34

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H10(153), C7H9(135); ! From training reaction 1653 used for Cd/H/Cd;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/Cd;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(153)+C7H9(5)=C7H10(1)+C7H9(135) 3.540000e-02 4.340 22.800

1545.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-10.0	-1.4	+1.8	+3.5

Arrhenius(A=(0.07,'cm^3/(mol*s)'), n=4.34, Ea=(139.076,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1571 used for Cd/H2/NonDeC;C_rad/H/CdCs Exact match found for rate rule [Cd/H2/NonDeC;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = 33.24
S298 (cal/mol*K) = -14.42
G298 (kcal/mol) = 37.54

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H10(153), C7H9(136); ! From training reaction 1571 used for Cd/H2/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H2/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(153)+C7H9(5)=C7H10(1)+C7H9(136) 7.000000e-02 4.340 33.240

1546.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.4	+6.3	+6.2

Arrhenius(A=(4.32e+14,'cm^3/(mol*s)','*|/',2), n=-0.75, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_ter_rad;C/H2/Nd_Csrad] for rate rule [C_rad/Cs2;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -41.03
S298 (cal/mol*K) = 0.20
G298 (kcal/mol) = -41.09

! Template reaction: Disproportionation ! Flux pairs: C7H9(130), C7H11(46); C7H12(295), C7H10(153); ! Estimated using template [C_ter_rad;C/H2/Nd_Csrad] for rate rule [C_rad/Cs2;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H9(130)=C7H10(153)+C7H11(46) 4.320000e+14 -0.750 0.000

1547.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.4	+6.3	+6.2

H298 (kcal/mol) = -54.22
S298 (cal/mol*K) = -5.91
G298 (kcal/mol) = -52.46

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;Cpri_Rrad] for rate rule [C_rad/Cs2;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H9(130)=C7H10(153)+C7H11(46) 4.320000e+14 -0.750 0.000

1548.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.4	+6.3	+6.2

H298 (kcal/mol) = -54.10
S298 (cal/mol*K) = -3.98
G298 (kcal/mol) = -52.92

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;Cpri_Rrad] for rate rule [C_rad/Cs2;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H9(130)=C7H10(153)+C7H11(46) 4.320000e+14 -0.750 0.000

1549.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.6	+6.4	+6.3

Arrhenius(A=(8.58e+15,'cm^3/(mol*s)','*|/',1.7), n=-1.1, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_ter_rad;Cmethyl_Csrad] for rate rule [C_rad/Cs2;Cmethyl_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -38.43
S298 (cal/mol*K) = 3.63
G298 (kcal/mol) = -39.52

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;Cmethyl_Csrad] for rate rule [C_rad/Cs2;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H9(130)=C7H10(153)+C7H11(46) 8.580000e+15 -1.100 0.000

1550.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

Arrhenius(A=(1.026e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -63.63
S298 (cal/mol*K) = -9.38
G298 (kcal/mol) = -60.84

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H9(131)=C7H10(153)+C7H11(46) 1.026000e+14 -0.350 0.000

1551.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -76.82
S298 (cal/mol*K) = -15.49
G298 (kcal/mol) = -72.21

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H9(131)=C7H10(153)+C7H11(46) 1.026000e+14 -0.350 0.000

1552.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -76.70
S298 (cal/mol*K) = -13.55
G298 (kcal/mol) = -72.67

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H9(131)=C7H10(153)+C7H11(46) 1.026000e+14 -0.350 0.000

1553.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.0	+5.9	+5.9	+5.8

H298 (kcal/mol) = -61.03
S298 (cal/mol*K) = -5.95
G298 (kcal/mol) = -59.26

! Template reaction: Disproportionation ! Estimated using average of templates [C_sec_rad;Cmethyl_Csrad/H/Cd] + [C_rad/H/NonDeC;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H9(131)=C7H10(153)+C7H11(46) 9.744229e+12 -0.350 0.000

1554.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -66.63
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -64.64

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H9(132)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1555.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.82
S298 (cal/mol*K) = -12.79
G298 (kcal/mol) = -76.01

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H9(132)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1556.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.70
S298 (cal/mol*K) = -10.85
G298 (kcal/mol) = -76.47

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H9(132)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1557.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

H298 (kcal/mol) = -64.03
S298 (cal/mol*K) = -3.25
G298 (kcal/mol) = -63.07

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H9(132)=C7H10(153)+C7H11(46) 4.560000e+14 -0.700 0.000

1558.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -57.43
S298 (cal/mol*K) = -5.58
G298 (kcal/mol) = -55.77

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H9(135)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1559.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.62
S298 (cal/mol*K) = -11.69
G298 (kcal/mol) = -67.14

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H9(135)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1560.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.50
S298 (cal/mol*K) = -9.75
G298 (kcal/mol) = -67.60

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H9(135)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1561.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -54.83
S298 (cal/mol*K) = -2.15
G298 (kcal/mol) = -54.19

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H9(135)=C7H10(153)+C7H11(46) 4.560000e+14 -0.700 0.000

1562.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -57.43
S298 (cal/mol*K) = -5.58
G298 (kcal/mol) = -55.77

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H9(134)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1563.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.62
S298 (cal/mol*K) = -11.69
G298 (kcal/mol) = -67.14

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H9(134)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1564.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.50
S298 (cal/mol*K) = -9.75
G298 (kcal/mol) = -67.60

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H9(134)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1565.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -54.83
S298 (cal/mol*K) = -2.15
G298 (kcal/mol) = -54.19

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H9(134)=C7H10(153)+C7H11(46) 4.560000e+14 -0.700 0.000

1566.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_pri_rad;C/H2/Nd_Csrad] for rate rule [Cd_pri_rad;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -68.83
S298 (cal/mol*K) = -6.26
G298 (kcal/mol) = -66.97

! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;C/H2/Nd_Csrad] for rate rule [Cd_pri_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H9(136)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1567.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.3	+5.3	+5.3	+5.3

H298 (kcal/mol) = -82.02
S298 (cal/mol*K) = -12.37
G298 (kcal/mol) = -78.34

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] + [Cd_pri_rad;Cpri_Rrad] for rate rule [Cd_pri_rad;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H9(136)=C7H10(153)+C7H11(46) 2.200000e+11 0.000 0.000

1568.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.3	+5.3	+5.3	+5.3

H298 (kcal/mol) = -81.90
S298 (cal/mol*K) = -10.43
G298 (kcal/mol) = -78.80

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] + [Cd_pri_rad;Cpri_Rrad] for rate rule [Cd_pri_rad;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H9(136)=C7H10(153)+C7H11(46) 2.200000e+11 0.000 0.000

1569.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_pri_rad;Cmethyl_Csrad] for rate rule [Cd_pri_rad;Cmethyl_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -66.23
S298 (cal/mol*K) = -2.83
G298 (kcal/mol) = -65.39

! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;Cmethyl_Csrad] for rate rule [Cd_pri_rad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H9(136)=C7H10(153)+C7H11(46) 4.560000e+14 -0.700 0.000

1570.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.6	+6.7	+6.8

H298 (kcal/mol) = -67.58
S298 (cal/mol*K) = -3.64
G298 (kcal/mol) = -66.50

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Nd_Csrad/H/Cd] + [Y_1centerbirad;C/H2/Nd_Csrad] for rate rule ! [Y_1centerbirad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(289)+C7H10(282)=C7H10(153)+C7H11(46) 6.828294e+10 0.595 0.255

1571.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.1	+6.6	+6.8	+7.0

H298 (kcal/mol) = -33.87
S298 (cal/mol*K) = -0.83
G298 (kcal/mol) = -33.63

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(289)+C7H10(89)=C7H10(153)+C7H11(46) 1.288000e+09 1.190 0.510

1572.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

Arrhenius(A=(1.526e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -34.44
S298 (cal/mol*K) = -4.67
G298 (kcal/mol) = -33.05

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(18)+C7H11(289)=C7H10(153)+C7H11(46) 1.526000e+12 0.000 -0.550

1573.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -66.38
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -64.39

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(289)+C7H10(95)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1574.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -57.18
S298 (cal/mol*K) = -5.58
G298 (kcal/mol) = -55.52

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(289)+C7H10(96)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1575.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -57.18
S298 (cal/mol*K) = -5.58
G298 (kcal/mol) = -55.52

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(289)+C7H10(97)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1576.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -68.58
S298 (cal/mol*K) = -6.26
G298 (kcal/mol) = -66.72

! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;C/H2/Nd_Csrad] for rate rule [Cd_pri_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(289)+C7H10(37)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1577.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -80.77
S298 (cal/mol*K) = -9.29
G298 (kcal/mol) = -78.01

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(290)+C7H10(282)=C7H10(153)+C7H11(46) 2.000000e+10 0.000 0.000

1578.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -47.06
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -45.13

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(290)+C7H10(89)=C7H10(153)+C7H11(46) 2.000000e+10 0.000 0.000

1579.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

H298 (kcal/mol) = -47.63
S298 (cal/mol*K) = -10.32
G298 (kcal/mol) = -44.56

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(18)+C7H11(290)=C7H10(153)+C7H11(46) 1.526000e+12 0.000 -0.550

1580.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.57
S298 (cal/mol*K) = -12.33
G298 (kcal/mol) = -75.90

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(290)+C7H10(95)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1581.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.37
S298 (cal/mol*K) = -11.23
G298 (kcal/mol) = -67.03

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(290)+C7H10(96)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1582.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.37
S298 (cal/mol*K) = -11.23
G298 (kcal/mol) = -67.03

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(290)+C7H10(97)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1583.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.3	+5.3	+5.3	+5.3

H298 (kcal/mol) = -81.77
S298 (cal/mol*K) = -11.91
G298 (kcal/mol) = -78.22

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] + [Cd_pri_rad;Cpri_Rrad] for rate rule [Cd_pri_rad;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(290)+C7H10(37)=C7H10(153)+C7H11(46) 2.200000e+11 0.000 0.000

1584.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -80.90
S298 (cal/mol*K) = -7.81
G298 (kcal/mol) = -78.58

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(291)+C7H10(282)=C7H10(153)+C7H11(46) 2.000000e+10 0.000 0.000

1585.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -47.19
S298 (cal/mol*K) = -5.00
G298 (kcal/mol) = -45.70

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(291)+C7H10(89)=C7H10(153)+C7H11(46) 2.000000e+10 0.000 0.000

1586.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

H298 (kcal/mol) = -47.76
S298 (cal/mol*K) = -8.84
G298 (kcal/mol) = -45.13

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(18)+C7H11(291)=C7H10(153)+C7H11(46) 1.526000e+12 0.000 -0.550

1587.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.70
S298 (cal/mol*K) = -10.85
G298 (kcal/mol) = -76.47

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(291)+C7H10(95)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1588.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.50
S298 (cal/mol*K) = -9.75
G298 (kcal/mol) = -67.60

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(291)+C7H10(96)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1589.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.50
S298 (cal/mol*K) = -9.75
G298 (kcal/mol) = -67.60

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(291)+C7H10(97)=C7H10(153)+C7H11(46) 2.420000e+12 0.000 0.000

1590.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.3	+5.3	+5.3	+5.3

H298 (kcal/mol) = -81.90
S298 (cal/mol*K) = -10.43
G298 (kcal/mol) = -78.80

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] + [Cd_pri_rad;Cpri_Rrad] for rate rule [Cd_pri_rad;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(291)+C7H10(37)=C7H10(153)+C7H11(46) 2.200000e+11 0.000 0.000

1591.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.7	+5.9	+6.3	+6.5

H298 (kcal/mol) = -64.98
S298 (cal/mol*K) = -0.20
G298 (kcal/mol) = -64.92

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;Cmethyl_Csrad/H/Cd] + [Y_1centerbirad;Cmethyl_Csrad] for rate rule ! [Y_1centerbirad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H10(282)+C7H11(292)=C7H10(153)+C7H11(46) 1.276238e+13 0.000 5.500

1592.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.2	+5.2	+5.2	+5.2

H298 (kcal/mol) = -31.27
S298 (cal/mol*K) = 2.61
G298 (kcal/mol) = -32.05

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H10(89)+C7H11(292)=C7H10(153)+C7H11(46) 1.500000e+11 0.000 0.000

1593.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.2	+5.2	+5.2	+5.2

Arrhenius(A=(1.5e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_sec_rad;Cmethyl_Csrad/H/Cd] for rate rule [C_rad/H/OneDeC;Cmethyl_Csrad/H/Cd] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -31.84
S298 (cal/mol*K) = -1.24
G298 (kcal/mol) = -31.48

! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;Cmethyl_Csrad/H/Cd] for rate rule [C_rad/H/OneDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H10(18)+C7H11(292)=C7H10(153)+C7H11(46) 1.500000e+11 0.000 0.000

1594.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

H298 (kcal/mol) = -63.78
S298 (cal/mol*K) = -3.25
G298 (kcal/mol) = -62.82

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H10(95)+C7H11(292)=C7H10(153)+C7H11(46) 4.560000e+14 -0.700 0.000

1595.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -54.58
S298 (cal/mol*K) = -2.15
G298 (kcal/mol) = -53.94

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H10(96)+C7H11(292)=C7H10(153)+C7H11(46) 4.560000e+14 -0.700 0.000

1596.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -54.58
S298 (cal/mol*K) = -2.15
G298 (kcal/mol) = -53.94

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H10(97)+C7H11(292)=C7H10(153)+C7H11(46) 4.560000e+14 -0.700 0.000

1597.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_pri_rad;Cmethyl_Csrad] for rate rule [Cd_pri_rad;Cmethyl_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -65.98
S298 (cal/mol*K) = -2.83
G298 (kcal/mol) = -65.14

! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;Cmethyl_Csrad] for rate rule [Cd_pri_rad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H11(292)+C7H10(37)=C7H10(153)+C7H11(46) 4.560000e+14 -0.700 0.000

1598.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.5	+3.3	+4.2	+4.8

Arrhenius(A=(0.000552,'cm^3/(mol*s)'), n=4.34, Ea=(9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] Euclidian distance = 0 family: H_Abstraction""")

H298 (kcal/mol) = -17.70
S298 (cal/mol*K) = -8.48
G298 (kcal/mol) = -15.17

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H10(153), C7H9(130); ! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] ! Euclidian distance = 0 ! family: H_Abstraction C7H10(153)+C7H11(46)=C7H9(130)+C7H12(299) 5.520000e-04 4.340 2.200

1599.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.1	+2.4	+3.8	+4.7

Arrhenius(A=(3.18e-09,'m^3/(mol*s)'), n=4.34, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [C/H3/Cs;C_rad/H/NonDeC] for rate rule [C/H3/Cs\H2\Cs;C_rad/H/NonDeC] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 3.0 family: H_Abstraction""")

H298 (kcal/mol) = -4.90
S298 (cal/mol*K) = -1.09
G298 (kcal/mol) = -4.57

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H9(131), C7H10(153); ! Estimated using template [C/H3/Cs;C_rad/H/NonDeC] for rate rule [C/H3/Cs\H2\Cs;C_rad/H/NonDeC] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H9(131)+C7H12(299)=C7H10(153)+C7H11(46) 3.180000e-03 4.340 9.900

1600.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+3.8	+4.9	+5.7

H298 (kcal/mol) = -7.90
S298 (cal/mol*K) = 1.61
G298 (kcal/mol) = -8.38

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H9(132), C7H10(153); ! Estimated using an average for rate rule [C/H3/Cs\H2\Cs;Cd_rad/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H9(132)+C7H12(299)=C7H10(153)+C7H11(46) 9.330000e-05 4.870 3.500

1601.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.4	+2.1	+3.5	+4.4

Arrhenius(A=(0.00148,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using an average for rate rule [Cd/H/Cd;C_rad/H2/Cs] Euclidian distance = 0 family: H_Abstraction""")

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H10(153), C7H9(134); ! Estimated using an average for rate rule [Cd/H/Cd;C_rad/H2/Cs] ! Euclidian distance = 0 ! family: H_Abstraction C7H10(153)+C7H11(46)=C7H9(134)+C7H12(299) 1.480000e-03 4.340 9.700

1602.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.4	+2.1	+3.5	+4.4

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H10(153), C7H9(135); ! Estimated using an average for rate rule [Cd/H/Cd;C_rad/H2/Cs] ! Euclidian distance = 0 ! family: H_Abstraction C7H10(153)+C7H11(46)=C7H9(135)+C7H12(299) 1.480000e-03 4.340 9.700

1603.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+3.8	+4.9	+5.7

Arrhenius(A=(9.33e-11,'m^3/(mol*s)'), n=4.87, Ea=(14.644,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [C/H3/Cs\H2\Cs;Cd_rad] for rate rule [C/H3/Cs\H2\Cs;Cd_pri_rad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 3.0 family: H_Abstraction""")

H298 (kcal/mol) = -10.10
S298 (cal/mol*K) = 2.03
G298 (kcal/mol) = -10.70

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H9(136), C7H10(153); ! Estimated using template [C/H3/Cs\H2\Cs;Cd_rad] for rate rule [C/H3/Cs\H2\Cs;Cd_pri_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H9(136)+C7H12(299)=C7H10(153)+C7H11(46) 9.330000e-05 4.870 3.500

1604.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+5.7	+6.1	+6.3

Arrhenius(A=(9.16e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_sec_rad;Cdpri_Csrad] for rate rule [C_rad/H/TwoDe;Cdpri_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = 2.50
S298 (cal/mol*K) = 4.18
G298 (kcal/mol) = 1.26

! Template reaction: Disproportionation ! Flux pairs: C7H9(5), C7H8(255); C7H9(5), C7H10(65); ! Estimated using template [C_sec_rad;Cdpri_Csrad] for rate rule [C_rad/H/TwoDe;Cdpri_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(5)+C7H9(5)=C7H10(65)+C7H8(255) 9.160000e+12 0.000 6.000

1605.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.9	+6.9	+6.9

Arrhenius(A=(7.24e+12,'cm^3/(mol*s)','*|/',5), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -71.85
S298 (cal/mol*K) = 20.66
G298 (kcal/mol) = -78.01

! Template reaction: Disproportionation ! Flux pairs: C7H8(261), C7H9(5); C7H10(33), C7H9(5); ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H8(261)+C7H10(33)=C7H9(5)+C7H9(5) 7.240000e+12 0.000 0.000

1606.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.2	+7.3	+7.4

Arrhenius(A=(138512,'m^3/(mol*s)'), n=0.677083, Ea=(-0.978591,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [Y_1centerbirad;XH_s_Rrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -84.70
S298 (cal/mol*K) = 10.57
G298 (kcal/mol) = -87.85

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H8(261)+C7H10(28)=C7H9(5)+C7H9(5) 1.385121e+11 0.677 -0.234

1607.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.9	+6.9	+6.8

H298 (kcal/mol) = -50.01
S298 (cal/mol*K) = 5.56
G298 (kcal/mol) = -51.67

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H8(256)+C7H10(33)=C7H9(5)+C7H9(5) 6.104000e+12 0.000 -0.550

1608.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

H298 (kcal/mol) = -62.86
S298 (cal/mol*K) = -4.53
G298 (kcal/mol) = -61.51

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/OneDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H8(256)+C7H10(28)=C7H9(5)+C7H9(5) 3.052000e+12 0.000 -0.550

1609.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -73.41
S298 (cal/mol*K) = -1.44
G298 (kcal/mol) = -72.99

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H8(257)+C7H10(33)=C7H9(5)+C7H9(5) 4.840000e+12 0.000 0.000

1610.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -86.26
S298 (cal/mol*K) = -11.52
G298 (kcal/mol) = -82.83

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H8(257)+C7H10(28)=C7H9(5)+C7H9(5) 1.291927e+13 -0.140 1.200

1611.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.7	+6.6	+6.6

Arrhenius(A=(4.6e+13,'cm^3/(mol*s)','*|/',1.7), n=-0.32, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 20 used for Y_rad;C/H2/Nd_Csrad Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -71.85
S298 (cal/mol*K) = 19.28
G298 (kcal/mol) = -77.60

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H8(258)+C7H10(33)=C7H9(5)+C7H9(5) 4.600000e+13 -0.320 0.000

1612.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.5	+6.7	+6.9	+7.0

Arrhenius(A=(132201,'m^3/(mol*s)'), n=0.573402, Ea=(1.80715,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [Y_rad;XH_s_Rrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -84.70
S298 (cal/mol*K) = 9.20
G298 (kcal/mol) = -87.44

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H8(258)+C7H10(28)=C7H9(5)+C7H9(5) 1.322006e+11 0.573 0.432

1613.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.8	+5.3	+6.1	+6.7

Arrhenius(A=(3.17579e-08,'m^3/(mol*s)'), n=4.339, Ea=(4.1433,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [C/H2/CdCd;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCd;Y_1centerbirad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -31.44
S298 (cal/mol*K) = 14.86
G298 (kcal/mol) = -35.87

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H8(261), C7H9(5); ! Estimated using template [C/H2/CdCd;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCd;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H8(261)=C7H9(5)+C7H9(5) 3.175785e-02 4.339 0.990

1614.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-11.0	-1.9	+1.5	+3.4

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 7.24
G298 (kcal/mol) = 30.84

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(65); C7H9(5), C7H8(257); ! From training reaction 1612 used for Cd/H/NonDeC;C_rad/H/CdCd ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H9(5)+C7H9(5)=C7H10(65)+C7H8(257) 1.006000e-01 4.340 36.040

1616.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.7	+6.3	+6.5	+6.6

Arrhenius(A=(7.47748e+06,'m^3/(mol*s)'), n=0, Ea=(11.4014,'kJ/mol'), T0=(1,'K'), comment="""Estimated using average of templates [C_sec_rad;Cdpri_Csrad] + [C_rad/H/OneDeC;XH_s_Rrad] for rate rule [C_rad/H/OneDeC;Cdpri_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = 0.54
S298 (cal/mol*K) = -15.68
G298 (kcal/mol) = 5.22

! Template reaction: Disproportionation ! Flux pairs: C7H9(5), C7H8(255); C7H9(5), C7H10(1); ! Estimated using average of templates [C_sec_rad;Cdpri_Csrad] + [C_rad/H/OneDeC;XH_s_Rrad] for rate rule [C_rad/H/OneDeC;Cdpri_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(5)+C7H9(5)=C7H10(1)+C7H8(255) 7.477476e+12 0.000 2.725

1617.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -97.55
S298 (cal/mol*K) = 1.86
G298 (kcal/mol) = -98.11

1618.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -75.71
S298 (cal/mol*K) = -13.24
G298 (kcal/mol) = -71.77

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H8(256)+C7H10(35)=C7H9(5)+C7H9(5) 3.052000e+12 0.000 -0.550

1619.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -99.11
S298 (cal/mol*K) = -20.23
G298 (kcal/mol) = -93.08

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H8(257)+C7H10(35)=C7H9(5)+C7H9(5) 2.420000e+12 0.000 0.000

1620.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -97.55
S298 (cal/mol*K) = 0.49
G298 (kcal/mol) = -97.70

1621.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+5.1	+6.0	+6.6

Arrhenius(A=(5.5448e-06,'m^3/(mol*s)'), n=3.69217, Ea=(14.3081,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [C/H2/CdCs;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCs;Y_1centerbirad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = -29.48
S298 (cal/mol*K) = 34.72
G298 (kcal/mol) = -39.83

! Template reaction: H_Abstraction ! Flux pairs: C7H10(1), C7H9(5); C7H8(261), C7H9(5); ! Estimated using template [C/H2/CdCs;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCs;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H8(261)=C7H9(5)+C7H9(5) 5.544804e+00 3.692 3.420

1622.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-9.2	-1.1	+2.0	+3.6

H298 (kcal/mol) = 31.04
S298 (cal/mol*K) = -12.62
G298 (kcal/mol) = 34.80

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H9(5), C7H8(257); ! From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H9(5)+C7H9(5)=C7H10(1)+C7H8(257) 5.040000e-02 4.340 31.040

1625.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.0	+5.3	+5.8	+6.0

Arrhenius(A=(4.58e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_sec_rad;Cdpri_Csrad] for rate rule [C_rad/H/TwoDe;Cdpri_Csrad] Euclidian distance = 1.0 family: Disproportionation""")

H298 (kcal/mol) = -3.94
S298 (cal/mol*K) = 6.82
G298 (kcal/mol) = -5.97

! Template reaction: Disproportionation ! Flux pairs: C7H11(22), C7H10(264); C7H9(5), C7H10(65); ! Estimated using template [C_sec_rad;Cdpri_Csrad] for rate rule [C_rad/H/TwoDe;Cdpri_Csrad] ! Euclidian distance = 1.0 ! family: Disproportionation C7H9(5)+C7H11(22)=C7H10(65)+C7H10(264) 4.580000e+12 0.000 6.000

1626.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.7	+6.3	+6.5	+6.6

H298 (kcal/mol) = -7.10
S298 (cal/mol*K) = 3.94
G298 (kcal/mol) = -8.27

! Template reaction: Disproportionation ! Flux pairs: C7H9(5), C7H8(255); C7H11(22), C7H12(16); ! Estimated using average of templates [C_sec_rad;Cdpri_Csrad] + [C_rad/H/OneDeC;XH_s_Rrad] for rate rule [C_rad/H/OneDeC;Cdpri_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(5)+C7H11(22)=C7H12(16)+C7H8(255) 7.477476e+12 0.000 2.725

1627.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.9	+6.9	+6.9

H298 (kcal/mol) = -76.25
S298 (cal/mol*K) = 3.64
G298 (kcal/mol) = -77.34

! Template reaction: Disproportionation ! Flux pairs: C7H8(261), C7H11(22); C7H12(293), C7H9(5); ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H8(261)=C7H9(5)+C7H11(22) 7.240000e+12 0.000 0.000

1628.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.2	+7.3	+7.4

H298 (kcal/mol) = -76.25
S298 (cal/mol*K) = 3.64
G298 (kcal/mol) = -77.34

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H8(261)=C7H9(5)+C7H11(22) 1.385121e+11 0.677 -0.234

1629.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.9	+6.9	+6.8

H298 (kcal/mol) = -54.41
S298 (cal/mol*K) = -11.46
G298 (kcal/mol) = -51.00

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H12(293)+C7H8(256)=C7H9(5)+C7H11(22) 6.104000e+12 0.000 -0.550

1630.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

H298 (kcal/mol) = -54.41
S298 (cal/mol*K) = -11.46
G298 (kcal/mol) = -51.00

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/OneDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H8(256)=C7H9(5)+C7H11(22) 3.052000e+12 0.000 -0.550

1631.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -77.81
S298 (cal/mol*K) = -18.46
G298 (kcal/mol) = -72.31

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H8(257)=C7H9(5)+C7H11(22) 4.840000e+12 0.000 0.000

1632.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -77.81
S298 (cal/mol*K) = -18.46
G298 (kcal/mol) = -72.31

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H8(257)=C7H9(5)+C7H11(22) 1.291927e+13 -0.140 1.200

1633.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.7	+6.6	+6.6

H298 (kcal/mol) = -76.25
S298 (cal/mol*K) = 2.26
G298 (kcal/mol) = -76.93

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H8(258)=C7H9(5)+C7H11(22) 4.600000e+13 -0.320 0.000

1634.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.5	+6.7	+6.9	+7.0

H298 (kcal/mol) = -76.25
S298 (cal/mol*K) = 2.26
G298 (kcal/mol) = -76.93

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H8(258)=C7H9(5)+C7H11(22) 1.322006e+11 0.573 0.432

1635.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.9	+6.9	+6.9

H298 (kcal/mol) = -73.41
S298 (cal/mol*K) = -1.44
G298 (kcal/mol) = -72.99

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(33)+C7H10(32)=C7H9(5)+C7H11(22) 7.240000e+12 0.000 0.000 DUPLICATE

1636.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -62.86
S298 (cal/mol*K) = -4.53
G298 (kcal/mol) = -61.51

! Template reaction: Disproportionation ! From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(33)+C7H10(28)=C7H9(5)+C7H11(22) 2.052000e+14 -0.350 0.000 DUPLICATE

1637.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.3	+7.2	+7.2	+7.1

Arrhenius(A=(1.2208e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 16.0 family: Disproportionation""")

H298 (kcal/mol) = -50.01
S298 (cal/mol*K) = 5.56
G298 (kcal/mol) = -51.67

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 16.0 ! family: Disproportionation C7H10(33)+C7H10(33)=C7H9(5)+C7H11(22) 1.220800e+13 0.000 -0.550 DUPLICATE

1638.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

Arrhenius(A=(9.2e+13,'cm^3/(mol*s)','*|/',1.7), n=-0.32, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 20 used for Y_rad;C/H2/Nd_Csrad Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 8.0 family: Disproportionation""")

H298 (kcal/mol) = -50.01
S298 (cal/mol*K) = 5.56
G298 (kcal/mol) = -51.67

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H10(33)+C7H10(33)=C7H9(5)+C7H11(22) 9.200000e+13 -0.320 0.000 DUPLICATE

1639.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -73.41
S298 (cal/mol*K) = -1.44
G298 (kcal/mol) = -72.99

1640.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.7	+6.6	+6.6

H298 (kcal/mol) = -73.41
S298 (cal/mol*K) = -0.06
G298 (kcal/mol) = -73.40

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(34)+C7H10(33)=C7H9(5)+C7H11(22) 4.600000e+13 -0.320 0.000

1641.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.2	+7.3	+7.4

H298 (kcal/mol) = -86.26
S298 (cal/mol*K) = -11.52
G298 (kcal/mol) = -82.83

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(32)+C7H10(28)=C7H9(5)+C7H11(22) 1.385121e+11 0.677 -0.234 DUPLICATE

1642.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.8	+6.8	+6.8

Arrhenius(A=(7.88814e+07,'m^3/(mol*s)'), n=-0.28, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C_rad/H/NonDeC;XH_s_Rrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -75.71
S298 (cal/mol*K) = -14.61
G298 (kcal/mol) = -71.36

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/NonDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(28)+C7H10(28)=C7H9(5)+C7H11(22) 7.888140e+13 -0.280 1.200

1643.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

H298 (kcal/mol) = -62.86
S298 (cal/mol*K) = -4.53
G298 (kcal/mol) = -61.51

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/OneDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(33)+C7H10(28)=C7H9(5)+C7H11(22) 3.052000e+12 0.000 -0.550 DUPLICATE

1644.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+7.0	+7.2	+7.3

Arrhenius(A=(264401,'m^3/(mol*s)'), n=0.573402, Ea=(1.80715,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [Y_rad;XH_s_Rrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -62.86
S298 (cal/mol*K) = -4.53
G298 (kcal/mol) = -61.51

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(33)+C7H10(28)=C7H9(5)+C7H11(22) 2.644013e+11 0.573 0.432 DUPLICATE

1645.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -86.26
S298 (cal/mol*K) = -11.52
G298 (kcal/mol) = -82.83

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(32)+C7H10(28)=C7H9(5)+C7H11(22) 1.291927e+13 -0.140 1.200 DUPLICATE

1646.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.5	+6.7	+6.9	+7.0

H298 (kcal/mol) = -86.26
S298 (cal/mol*K) = -10.15
G298 (kcal/mol) = -83.24

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(34)+C7H10(28)=C7H9(5)+C7H11(22) 1.322006e+11 0.573 0.432

1647.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+5.1	+6.0	+6.6

H298 (kcal/mol) = -21.84
S298 (cal/mol*K) = 15.10
G298 (kcal/mol) = -26.34

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(22); C7H8(261), C7H9(5); ! Estimated using template [C/H2/CdCs;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCs;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H8(261)=C7H9(5)+C7H11(22) 5.544804e+00 3.692 3.420

1648.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-7.3	-0.2	+2.6	+4.1

H298 (kcal/mol) = 23.40
S298 (cal/mol*K) = 7.00
G298 (kcal/mol) = 21.31

! Template reaction: H_Abstraction ! Flux pairs: C7H11(22), C7H12(16); C7H9(5), C7H8(257); ! From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H9(5)+C7H11(22)=C7H12(16)+C7H8(257) 5.040000e-02 4.340 26.910

1649.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.8	+5.3	+6.1	+6.7

H298 (kcal/mol) = -33.00
S298 (cal/mol*K) = -7.24
G298 (kcal/mol) = -30.84

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H10(32), C7H11(22); ! Estimated using template [C/H2/CdCd;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCd;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H10(32)=C7H9(5)+C7H11(22) 3.175785e-02 4.339 0.990 DUPLICATE

1650.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.0	+2.5	+3.6	+4.4

H298 (kcal/mol) = -22.45
S298 (cal/mol*K) = -10.33
G298 (kcal/mol) = -19.37

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H10(28), C7H11(22); ! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H10(28)=C7H9(5)+C7H11(22) 8.355201e-04 4.260 5.620

1651.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-11.3	-2.2	+1.2	+3.1

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 7.24
G298 (kcal/mol) = 30.84

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(65); C7H11(22), C7H10(32); ! From training reaction 1612 used for Cd/H/NonDeC;C_rad/H/CdCd ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCd] ! Euclidian distance = 0 ! family: H_Abstraction C7H9(5)+C7H11(22)=C7H10(65)+C7H10(32) 5.030000e-02 4.340 36.040 DUPLICATE

1653.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.4	+6.0	+6.2	+6.3

Arrhenius(A=(3.73874e+06,'m^3/(mol*s)'), n=0, Ea=(11.4014,'kJ/mol'), T0=(1,'K'), comment="""Estimated using average of templates [C_sec_rad;Cdpri_Csrad] + [C_rad/H/OneDeC;XH_s_Rrad] for rate rule [C_rad/H/OneDeC;Cdpri_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -5.90
S298 (cal/mol*K) = -13.04
G298 (kcal/mol) = -2.01

! Template reaction: Disproportionation ! Flux pairs: C7H11(22), C7H10(264); C7H9(5), C7H10(1); ! Estimated using average of templates [C_sec_rad;Cdpri_Csrad] + [C_rad/H/OneDeC;XH_s_Rrad] for rate rule [C_rad/H/OneDeC;Cdpri_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(5)+C7H11(22)=C7H10(1)+C7H10(264) 3.738738e+12 0.000 2.725

1655.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -99.11
S298 (cal/mol*K) = -20.23
G298 (kcal/mol) = -93.08

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(35)+C7H10(32)=C7H9(5)+C7H11(22) 2.000000e+10 0.000 0.000 DUPLICATE

1656.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -88.56
S298 (cal/mol*K) = -23.32
G298 (kcal/mol) = -81.61

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(35)+C7H10(28)=C7H9(5)+C7H11(22) 1.026000e+14 -0.350 0.000

1657.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -75.71
S298 (cal/mol*K) = -13.24
G298 (kcal/mol) = -71.77

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(35)+C7H10(33)=C7H9(5)+C7H11(22) 3.052000e+12 0.000 -0.550 DUPLICATE

1658.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.6	+4.6	+4.6	+4.6

H298 (kcal/mol) = -75.71
S298 (cal/mol*K) = -13.24
G298 (kcal/mol) = -71.77

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(35)+C7H10(33)=C7H9(5)+C7H11(22) 4.000000e+10 0.000 0.000 DUPLICATE

1659.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -99.11
S298 (cal/mol*K) = -20.23
G298 (kcal/mol) = -93.08

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(35)+C7H10(32)=C7H9(5)+C7H11(22) 2.420000e+12 0.000 0.000 DUPLICATE

1660.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -99.11
S298 (cal/mol*K) = -18.86
G298 (kcal/mol) = -93.49

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(35)+C7H10(34)=C7H9(5)+C7H11(22) 2.000000e+10 0.000 0.000

1661.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+5.1	+6.0	+6.6

H298 (kcal/mol) = -31.04
S298 (cal/mol*K) = 12.62
G298 (kcal/mol) = -34.80

! Template reaction: H_Abstraction ! Flux pairs: C7H10(1), C7H9(5); C7H10(32), C7H11(22); ! Estimated using template [C/H2/CdCs;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCs;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H10(32)=C7H9(5)+C7H11(22) 5.544804e+00 3.692 3.420 DUPLICATE

1662.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.9	+3.9	+4.9	+5.5

H298 (kcal/mol) = -20.49
S298 (cal/mol*K) = 9.53
G298 (kcal/mol) = -23.33

! Template reaction: H_Abstraction ! Flux pairs: C7H10(1), C7H9(5); C7H10(28), C7H11(22); ! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H10(28)=C7H9(5)+C7H11(22) 3.412000e-03 4.340 3.100

1663.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-9.5	-1.4	+1.7	+3.3

H298 (kcal/mol) = 31.04
S298 (cal/mol*K) = -12.62
G298 (kcal/mol) = 34.80

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H11(22), C7H10(32); ! From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H9(5)+C7H11(22)=C7H10(1)+C7H10(32) 2.520000e-02 4.340 31.040 DUPLICATE

1664.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.6	+6.6	+6.6

Arrhenius(A=(3.62e+12,'cm^3/(mol*s)','*|/',5), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -70.71
S298 (cal/mol*K) = 10.95
G298 (kcal/mol) = -73.98

! Template reaction: Disproportionation ! Flux pairs: C7H8(261), C7H10(21); C7H11(283), C7H9(5); ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(283)+C7H8(261)=C7H9(5)+C7H10(21) 3.620000e+12 0.000 0.000

1665.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -48.87
S298 (cal/mol*K) = -4.15
G298 (kcal/mol) = -47.64

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H8(256)+C7H11(283)=C7H9(5)+C7H10(21) 3.052000e+12 0.000 -0.550

1666.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -72.27
S298 (cal/mol*K) = -11.15
G298 (kcal/mol) = -68.95

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(283)+C7H8(257)=C7H9(5)+C7H10(21) 2.420000e+12 0.000 0.000

1667.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.5	+6.4	+6.3	+6.3

Arrhenius(A=(2.3e+13,'cm^3/(mol*s)','*|/',1.7), n=-0.32, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 20 used for Y_rad;C/H2/Nd_Csrad Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -70.71
S298 (cal/mol*K) = 9.57
G298 (kcal/mol) = -73.57

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(283)+C7H8(258)=C7H9(5)+C7H10(21) 2.300000e+13 -0.320 0.000

1668.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.7	+6.6	+6.5

Arrhenius(A=(8.64e+14,'cm^3/(mol*s)','*|/',2), n=-0.75, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_ter_rad;C/H2/Nd_Csrad] for rate rule [C_rad/Cs2;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -47.81
S298 (cal/mol*K) = 4.06
G298 (kcal/mol) = -49.02

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;C/H2/Nd_Csrad] for rate rule [C_rad/Cs2;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(44)+C7H10(33)=C7H9(5)+C7H10(21) 8.640000e+14 -0.750 0.000

1669.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -62.86
S298 (cal/mol*K) = -4.07
G298 (kcal/mol) = -61.65

! Template reaction: Disproportionation ! From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(45)+C7H10(33)=C7H9(5)+C7H10(21) 2.052000e+14 -0.350 0.000

1670.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -60.81
S298 (cal/mol*K) = -3.15
G298 (kcal/mol) = -59.88

! Template reaction: Disproportionation ! From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(46)+C7H10(33)=C7H9(5)+C7H10(21) 2.052000e+14 -0.350 0.000

1671.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -76.91
S298 (cal/mol*K) = -1.44
G298 (kcal/mol) = -76.49

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(47)+C7H10(33)=C7H9(5)+C7H10(21) 4.840000e+12 0.000 0.000

1672.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.4	+6.4	+6.3

H298 (kcal/mol) = -60.66
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -58.87

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;XH_s_Rrad] for rate rule [C_rad/Cs2;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(44)+C7H10(28)=C7H9(5)+C7H10(21) 4.635794e+14 -0.670 1.200

1673.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.5	+6.5	+6.5

H298 (kcal/mol) = -75.71
S298 (cal/mol*K) = -14.15
G298 (kcal/mol) = -71.50

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/NonDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(45)+C7H10(28)=C7H9(5)+C7H10(21) 3.944070e+13 -0.280 1.200

1674.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.5	+6.5	+6.5

H298 (kcal/mol) = -73.66
S298 (cal/mol*K) = -13.24
G298 (kcal/mol) = -69.72

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/NonDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(46)+C7H10(28)=C7H9(5)+C7H10(21) 3.944070e+13 -0.280 1.200

1675.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -89.76
S298 (cal/mol*K) = -11.52
G298 (kcal/mol) = -86.33

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(47)+C7H10(28)=C7H9(5)+C7H10(21) 1.291927e+13 -0.140 1.200

1676.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+0.1	+2.4	+3.5	+4.2

H298 (kcal/mol) = -7.40
S298 (cal/mol*K) = -1.74
G298 (kcal/mol) = -6.88

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H9(44), C7H10(21); ! From training reaction 1133 used for C/H2/CdCd;C_rad/CdCs2 ! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H9(44)=C7H9(5)+C7H10(21) 2.500000e-04 4.340 4.600

1677.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.0	+2.5	+3.6	+4.4

H298 (kcal/mol) = -22.45
S298 (cal/mol*K) = -9.87
G298 (kcal/mol) = -19.51

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H9(45), C7H10(21); ! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H9(45)=C7H9(5)+C7H10(21) 8.355201e-04 4.260 5.620

1678.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.0	+2.5	+3.6	+4.4

H298 (kcal/mol) = -20.40
S298 (cal/mol*K) = -8.95
G298 (kcal/mol) = -17.73

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H9(46), C7H10(21); ! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H9(46)=C7H9(5)+C7H10(21) 8.355201e-04 4.260 5.620

1679.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-11.2	-2.0	+1.5	+3.3

Arrhenius(A=(0.1006,'cm^3/(mol*s)'), n=4.34, Ea=(152.716,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1612 used for Cd/H/NonDeC;C_rad/H/CdCd Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCd] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = 36.50
S298 (cal/mol*K) = 7.24
G298 (kcal/mol) = 34.34

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(65); C7H10(21), C7H9(47); ! From training reaction 1612 used for Cd/H/NonDeC;C_rad/H/CdCd ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H9(5)+C7H10(21)=C7H10(65)+C7H9(47) 1.006000e-01 4.340 36.500

1680.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.4	+6.3	+6.2

H298 (kcal/mol) = -73.51
S298 (cal/mol*K) = -14.73
G298 (kcal/mol) = -69.12

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;Cpri_Rrad] for rate rule [C_rad/Cs2;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(44)+C7H10(35)=C7H9(5)+C7H10(21) 4.320000e+14 -0.750 0.000

1681.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -88.56
S298 (cal/mol*K) = -22.86
G298 (kcal/mol) = -81.75

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(45)+C7H10(35)=C7H9(5)+C7H10(21) 1.026000e+14 -0.350 0.000

1682.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -86.51
S298 (cal/mol*K) = -21.95
G298 (kcal/mol) = -79.97

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(46)+C7H10(35)=C7H9(5)+C7H10(21) 1.026000e+14 -0.350 0.000

1683.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -102.61
S298 (cal/mol*K) = -20.23
G298 (kcal/mol) = -96.58

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(47)+C7H10(35)=C7H9(5)+C7H10(21) 2.420000e+12 0.000 0.000

1684.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.7	+2.7	+4.1	+5.0

Arrhenius(A=(0.0046,'cm^3/(mol*s)'), n=4.34, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCs Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = 5.44
S298 (cal/mol*K) = -18.12
G298 (kcal/mol) = 10.84

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H10(21), C7H9(44); ! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCs ! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H9(5)+C7H10(21)=C7H10(1)+C7H9(44) 4.600000e-03 4.340 9.300

1685.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.9	+3.9	+4.9	+5.5

H298 (kcal/mol) = -20.49
S298 (cal/mol*K) = 9.99
G298 (kcal/mol) = -23.47

! Template reaction: H_Abstraction ! Flux pairs: C7H10(1), C7H9(5); C7H9(45), C7H10(21); ! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H9(45)=C7H9(5)+C7H10(21) 3.412000e-03 4.340 3.100

1686.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.9	+3.9	+4.9	+5.5

H298 (kcal/mol) = -18.44
S298 (cal/mol*K) = 10.91
G298 (kcal/mol) = -21.69

! Template reaction: H_Abstraction ! Flux pairs: C7H10(1), C7H9(5); C7H9(46), C7H10(21); ! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H9(46)=C7H9(5)+C7H10(21) 3.412000e-03 4.340 3.100

1687.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-10.7	-1.8	+1.5	+3.3

Arrhenius(A=(0.0504,'cm^3/(mol*s)'), n=4.34, Ea=(144.515,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = 34.54
S298 (cal/mol*K) = -12.62
G298 (kcal/mol) = 38.30

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H10(21), C7H9(47); ! From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H9(5)+C7H10(21)=C7H10(1)+C7H9(47) 5.040000e-02 4.340 34.540

1689.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.7	+5.0	+5.4	+5.6

Arrhenius(A=(1.928e+12,'cm^3/(mol*s)','*|/',2), n=0, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 47 used for C_rad/H2/Cs;Cdpri_Csrad Exact match found for rate rule [C_rad/H2/Cs;Cdpri_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -22.60
S298 (cal/mol*K) = -3.29
G298 (kcal/mol) = -21.62

! Template reaction: Disproportionation ! Flux pairs: C7H9(5), C7H8(255); C7H11(46), C7H12(299); ! From training reaction 47 used for C_rad/H2/Cs;Cdpri_Csrad ! Exact match found for rate rule [C_rad/H2/Cs;Cdpri_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(5)+C7H11(46)=C7H8(255)+C7H12(299) 1.928000e+12 0.000 6.000

1690.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.6	+6.7	+6.8

H298 (kcal/mol) = -65.07
S298 (cal/mol*K) = 14.04
G298 (kcal/mol) = -69.26

! Template reaction: Disproportionation ! Flux pairs: C7H8(261), C7H11(46); C7H12(295), C7H9(5); ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Nd_Csrad/H/Cd] + [Y_1centerbirad;C/H2/Nd_Csrad] for rate rule ! [Y_1centerbirad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H8(261)=C7H9(5)+C7H11(46) 6.828294e+10 0.595 0.255

1691.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -78.26
S298 (cal/mol*K) = 7.93
G298 (kcal/mol) = -80.63

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H8(261)=C7H9(5)+C7H11(46) 2.000000e+10 0.000 0.000

1692.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -78.14
S298 (cal/mol*K) = 9.87
G298 (kcal/mol) = -81.08

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H8(261)=C7H9(5)+C7H11(46) 2.000000e+10 0.000 0.000

1693.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.7	+5.9	+6.3	+6.5

H298 (kcal/mol) = -62.47
S298 (cal/mol*K) = 17.47
G298 (kcal/mol) = -67.68

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;Cmethyl_Csrad/H/Cd] + [Y_1centerbirad;Cmethyl_Csrad] for rate rule ! [Y_1centerbirad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H8(261)=C7H9(5)+C7H11(46) 1.276238e+13 0.000 5.500

1694.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

H298 (kcal/mol) = -43.23
S298 (cal/mol*K) = -1.06
G298 (kcal/mol) = -42.92

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(295)+C7H8(256)=C7H9(5)+C7H11(46) 3.052000e+12 0.000 -0.550

1695.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -56.42
S298 (cal/mol*K) = -7.17
G298 (kcal/mol) = -54.29

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(296)+C7H8(256)=C7H9(5)+C7H11(46) 3.052000e+12 0.000 -0.550

1696.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -56.30
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -54.74

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(297)+C7H8(256)=C7H9(5)+C7H11(46) 3.052000e+12 0.000 -0.550

1697.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.5	+5.5	+5.5	+5.5

H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = 2.37
G298 (kcal/mol) = -41.34

! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;Cmethyl_Csrad/H/Cd] for rate rule [C_rad/H/OneDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 6.0 ! family: Disproportionation C7H12(298)+C7H8(256)=C7H9(5)+C7H11(46) 3.000000e+11 0.000 0.000

1698.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -66.63
S298 (cal/mol*K) = -8.06
G298 (kcal/mol) = -64.23

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H8(257)=C7H9(5)+C7H11(46) 2.420000e+12 0.000 0.000

1699.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.82
S298 (cal/mol*K) = -14.17
G298 (kcal/mol) = -75.60

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H8(257)=C7H9(5)+C7H11(46) 2.420000e+12 0.000 0.000

1700.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.70
S298 (cal/mol*K) = -12.23
G298 (kcal/mol) = -76.06

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H8(257)=C7H9(5)+C7H11(46) 2.420000e+12 0.000 0.000

1701.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

H298 (kcal/mol) = -64.03
S298 (cal/mol*K) = -4.62
G298 (kcal/mol) = -62.66

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H8(257)=C7H9(5)+C7H11(46) 4.560000e+14 -0.700 0.000

1702.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.1	+6.6	+6.8	+7.0

H298 (kcal/mol) = -65.07
S298 (cal/mol*K) = 12.66
G298 (kcal/mol) = -68.85

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H8(258)=C7H9(5)+C7H11(46) 1.288000e+09 1.190 0.510

1703.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -78.26
S298 (cal/mol*K) = 6.55
G298 (kcal/mol) = -80.22

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H8(258)=C7H9(5)+C7H11(46) 2.000000e+10 0.000 0.000

1704.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -78.14
S298 (cal/mol*K) = 8.49
G298 (kcal/mol) = -80.67

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H8(258)=C7H9(5)+C7H11(46) 2.000000e+10 0.000 0.000

1705.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.2	+5.2	+5.2	+5.2

H298 (kcal/mol) = -62.47
S298 (cal/mol*K) = 16.10
G298 (kcal/mol) = -67.27

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H8(258)=C7H9(5)+C7H11(46) 1.500000e+11 0.000 0.000

1706.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.9	+6.9	+6.9

H298 (kcal/mol) = -74.61
S298 (cal/mol*K) = 2.98
G298 (kcal/mol) = -75.50

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(282)+C7H10(33)=C7H9(5)+C7H11(46) 7.240000e+12 0.000 0.000

1707.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.7	+6.6	+6.6

H298 (kcal/mol) = -40.90
S298 (cal/mol*K) = 5.79
G298 (kcal/mol) = -42.63

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(89)+C7H10(33)=C7H9(5)+C7H11(46) 4.600000e+13 -0.320 0.000

1708.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -41.47
S298 (cal/mol*K) = 1.95
G298 (kcal/mol) = -42.06

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(18)+C7H10(33)=C7H9(5)+C7H11(46) 3.052000e+12 0.000 -0.550

1709.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -73.41
S298 (cal/mol*K) = -0.06
G298 (kcal/mol) = -73.40

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(95)+C7H10(33)=C7H9(5)+C7H11(46) 4.840000e+12 0.000 0.000

1710.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.21
S298 (cal/mol*K) = 1.04
G298 (kcal/mol) = -64.52

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(96)+C7H10(33)=C7H9(5)+C7H11(46) 4.840000e+12 0.000 0.000

1711.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.21
S298 (cal/mol*K) = 1.04
G298 (kcal/mol) = -64.52

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(97)+C7H10(33)=C7H9(5)+C7H11(46) 4.840000e+12 0.000 0.000

1712.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

H298 (kcal/mol) = -75.61
S298 (cal/mol*K) = 0.36
G298 (kcal/mol) = -75.72

! Template reaction: Disproportionation ! From training reaction 29 used for Cd_pri_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Cd_pri_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(37)+C7H10(33)=C7H9(5)+C7H11(46) 4.840000e+12 0.000 0.000

1713.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.2	+7.3	+7.4

H298 (kcal/mol) = -87.46
S298 (cal/mol*K) = -7.10
G298 (kcal/mol) = -85.35

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(282)+C7H10(28)=C7H9(5)+C7H11(46) 1.385121e+11 0.677 -0.234

1714.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.5	+6.7	+6.9	+7.0

H298 (kcal/mol) = -53.75
S298 (cal/mol*K) = -4.29
G298 (kcal/mol) = -52.47

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(89)+C7H10(28)=C7H9(5)+C7H11(46) 1.322006e+11 0.573 0.432

1715.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

Arrhenius(A=(1.526e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using an average for rate rule [C_rad/H/OneDeC;XH_s_Rrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -54.32
S298 (cal/mol*K) = -8.14
G298 (kcal/mol) = -51.90

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/OneDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(18)+C7H10(28)=C7H9(5)+C7H11(46) 1.526000e+12 0.000 -0.550

1716.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -86.26
S298 (cal/mol*K) = -10.15
G298 (kcal/mol) = -83.24

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(95)+C7H10(28)=C7H9(5)+C7H11(46) 1.291927e+13 -0.140 1.200

1717.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

Arrhenius(A=(1.29193e+07,'m^3/(mol*s)'), n=-0.14, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -77.06
S298 (cal/mol*K) = -9.05
G298 (kcal/mol) = -74.37

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(96)+C7H10(28)=C7H9(5)+C7H11(46) 1.291927e+13 -0.140 1.200

1718.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

Arrhenius(A=(1.29193e+07,'m^3/(mol*s)'), n=-0.14, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -77.06
S298 (cal/mol*K) = -9.05
G298 (kcal/mol) = -74.37

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(97)+C7H10(28)=C7H9(5)+C7H11(46) 1.291927e+13 -0.140 1.200

1719.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -88.46
S298 (cal/mol*K) = -9.73
G298 (kcal/mol) = -85.57

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Cd_pri_rad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(37)+C7H10(28)=C7H9(5)+C7H11(46) 1.291927e+13 -0.140 1.200

1720.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+2.9	+5.0	+5.9	+6.5

Arrhenius(A=(3.2721e-05,'m^3/(mol*s)'), n=3.489, Ea=(19.1635,'kJ/mol'), T0=(1,'K'), comment="""Estimated using average of templates [C/H3/Cs\OneNonDe;Y_1centerbirad] + [C/H3/Cs\H2\Cs;Y_rad_birad_trirad_quadrad] for rate rule [C/H3/Cs\H2\Cs;Y_1centerbirad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 3.0 family: H_Abstraction""")

H298 (kcal/mol) = -6.34
S298 (cal/mol*K) = 22.33
G298 (kcal/mol) = -12.99

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H8(261), C7H9(5); ! Estimated using average of templates [C/H3/Cs\OneNonDe;Y_1centerbirad] + [C/H3/Cs\H2\Cs;Y_rad_birad_trirad_quadrad] for rate rule ! [C/H3/Cs\H2\Cs;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H8(261)+C7H12(299)=C7H9(5)+C7H11(46) 3.272096e+01 3.489 4.580

1721.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+3.8	+4.9	+5.7

H298 (kcal/mol) = -7.90
S298 (cal/mol*K) = 0.23
G298 (kcal/mol) = -7.97

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H8(257), C7H9(5); ! Estimated using an average for rate rule [C/H3/Cs\H2\Cs;Cd_rad/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H8(257)+C7H12(299)=C7H9(5)+C7H11(46) 9.330000e-05 4.870 3.500

1722.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.8	+5.3	+6.1	+6.7

H298 (kcal/mol) = -34.20
S298 (cal/mol*K) = -2.82
G298 (kcal/mol) = -33.36

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H10(282), C7H11(46); ! Estimated using template [C/H2/CdCd;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCd;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H10(282)=C7H9(5)+C7H11(46) 3.175785e-02 4.339 0.990

1724.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-11.3	-2.2	+1.2	+3.1

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 5.86
G298 (kcal/mol) = 31.25

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(65); C7H11(46), C7H10(95); ! From training reaction 1612 used for Cd/H/NonDeC;C_rad/H/CdCd ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCd] ! Euclidian distance = 0 ! family: H_Abstraction C7H9(5)+C7H11(46)=C7H10(65)+C7H10(95) 5.030000e-02 4.340 36.040

1725.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+4.0	+5.1	+5.8

H298 (kcal/mol) = -23.80
S298 (cal/mol*K) = -4.76
G298 (kcal/mol) = -22.38

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H10(96), C7H11(46); ! From training reaction 1145 used for C/H2/CdCd;Cd_rad/Cd ! Exact match found for rate rule [C/H2/CdCd;Cd_rad/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H10(96)=C7H9(5)+C7H11(46) 1.054000e-02 4.340 4.800

1726.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+4.0	+5.1	+5.8

H298 (kcal/mol) = -23.80
S298 (cal/mol*K) = -4.76
G298 (kcal/mol) = -22.38

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H10(97), C7H11(46); ! From training reaction 1145 used for C/H2/CdCd;Cd_rad/Cd ! Exact match found for rate rule [C/H2/CdCd;Cd_rad/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H10(97)=C7H9(5)+C7H11(46) 1.054000e-02 4.340 4.800

1727.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-10.8	-1.7	+1.7	+3.5

H298 (kcal/mol) = 35.20
S298 (cal/mol*K) = 5.44
G298 (kcal/mol) = 33.58

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(65); C7H11(46), C7H10(37); ! From training reaction 1573 used for Cd/H2/NonDeC;C_rad/H/CdCd ! Exact match found for rate rule [Cd/H2/NonDeC;C_rad/H/CdCd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H9(5)+C7H11(46)=C7H10(65)+C7H10(37) 1.400000e-01 4.340 35.910

1729.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.8	+6.8	+6.8

Arrhenius(A=(5.8e+12,'cm^3/(mol*s)','*|/',1.4), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H2/Cs;C/H2/Nd_Csrad] for rate rule [C_rad/H2/Cs;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -53.03
S298 (cal/mol*K) = -1.59
G298 (kcal/mol) = -52.56

! Template reaction: Disproportionation ! Flux pairs: C7H9(5), C7H8(58); C7H11(46), C7H12(299); ! Estimated using template [C_rad/H2/Cs;C/H2/Nd_Csrad] for rate rule [C_rad/H2/Cs;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H9(5)+C7H11(46)=C7H8(58)+C7H12(299) 5.800000e+12 0.000 0.000

1730.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -100.31
S298 (cal/mol*K) = -15.81
G298 (kcal/mol) = -95.60

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(282)+C7H10(35)=C7H9(5)+C7H11(46) 2.000000e+10 0.000 0.000

1731.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -66.60
S298 (cal/mol*K) = -13.00
G298 (kcal/mol) = -62.73

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(89)+C7H10(35)=C7H9(5)+C7H11(46) 2.000000e+10 0.000 0.000

1732.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

H298 (kcal/mol) = -67.17
S298 (cal/mol*K) = -16.85
G298 (kcal/mol) = -62.15

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(18)+C7H10(35)=C7H9(5)+C7H11(46) 1.526000e+12 0.000 -0.550

1733.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -99.11
S298 (cal/mol*K) = -18.86
G298 (kcal/mol) = -93.49

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(95)+C7H10(35)=C7H9(5)+C7H11(46) 2.420000e+12 0.000 0.000

1734.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -89.91
S298 (cal/mol*K) = -17.76
G298 (kcal/mol) = -84.62

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(96)+C7H10(35)=C7H9(5)+C7H11(46) 2.420000e+12 0.000 0.000

1735.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -89.91
S298 (cal/mol*K) = -17.76
G298 (kcal/mol) = -84.62

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(97)+C7H10(35)=C7H9(5)+C7H11(46) 2.420000e+12 0.000 0.000

1736.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.3	+5.3	+5.3	+5.3

H298 (kcal/mol) = -101.31
S298 (cal/mol*K) = -18.44
G298 (kcal/mol) = -95.82

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] + [Cd_pri_rad;Cpri_Rrad] for rate rule [Cd_pri_rad;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(37)+C7H10(35)=C7H9(5)+C7H11(46) 2.200000e+11 0.000 0.000

1737.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+5.1	+6.0	+6.6

H298 (kcal/mol) = -32.24
S298 (cal/mol*K) = 17.04
G298 (kcal/mol) = -37.32

! Template reaction: H_Abstraction ! Flux pairs: C7H10(1), C7H9(5); C7H10(282), C7H11(46); ! Estimated using template [C/H2/CdCs;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCs;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H10(282)=C7H9(5)+C7H11(46) 5.544804e+00 3.692 3.420

1739.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-9.5	-1.4	+1.7	+3.3

H298 (kcal/mol) = 31.04
S298 (cal/mol*K) = -14.00
G298 (kcal/mol) = 35.21

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H11(46), C7H10(95); ! From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H9(5)+C7H11(46)=C7H10(1)+C7H10(95) 2.520000e-02 4.340 31.040

1740.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.7	+0.6	+3.0	+4.4

H298 (kcal/mol) = 21.84
S298 (cal/mol*K) = -15.10
G298 (kcal/mol) = 26.34

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H11(46), C7H10(96); ! From training reaction 1653 used for Cd/H/Cd;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/Cd;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H9(5)+C7H11(46)=C7H10(1)+C7H10(96) 3.540000e-02 4.340 22.800

1741.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.7	+0.6	+3.0	+4.4

H298 (kcal/mol) = 21.84
S298 (cal/mol*K) = -15.10
G298 (kcal/mol) = 26.34

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H11(46), C7H10(97); ! From training reaction 1653 used for Cd/H/Cd;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/Cd;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H9(5)+C7H11(46)=C7H10(1)+C7H10(97) 3.540000e-02 4.340 22.800

1742.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-10.0	-1.4	+1.8	+3.5

H298 (kcal/mol) = 33.24
S298 (cal/mol*K) = -14.42
G298 (kcal/mol) = 37.54

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H11(46), C7H10(37); ! From training reaction 1571 used for Cd/H2/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H2/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H9(5)+C7H11(46)=C7H10(1)+C7H10(37) 7.000000e-02 4.340 33.240

1745.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+5.7	+6.1	+6.3

Arrhenius(A=(9.16e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 49 used for C_rad/H/NonDeC;Cdpri_Csrad Exact match found for rate rule [C_rad/H/NonDeC;Cdpri_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -19.95
S298 (cal/mol*K) = -6.15
G298 (kcal/mol) = -18.12

! Template reaction: Disproportionation ! Flux pairs: C7H9(5), C7H8(255); C7H11(40), C7H12(16); ! From training reaction 49 used for C_rad/H/NonDeC;Cdpri_Csrad ! Exact match found for rate rule [C_rad/H/NonDeC;Cdpri_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(5)+C7H11(40)=C7H12(16)+C7H8(255) 9.160000e+12 0.000 6.000

1746.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.9	+6.9	+6.9

H298 (kcal/mol) = -63.40
S298 (cal/mol*K) = 13.73
G298 (kcal/mol) = -67.49

! Template reaction: Disproportionation ! Flux pairs: C7H8(261), C7H11(40); C7H12(294), C7H9(5); ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H8(261)=C7H9(5)+C7H11(40) 7.240000e+12 0.000 0.000

1747.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.9	+6.9	+6.9

H298 (kcal/mol) = -63.40
S298 (cal/mol*K) = 13.73
G298 (kcal/mol) = -67.49

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H8(261)+C7H12(300)=C7H9(5)+C7H11(40) 7.240000e+12 0.000 0.000

1748.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.9	+6.9	+6.8

H298 (kcal/mol) = -41.56
S298 (cal/mol*K) = -1.37
G298 (kcal/mol) = -41.15

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H12(294)+C7H8(256)=C7H9(5)+C7H11(40) 6.104000e+12 0.000 -0.550

1749.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.9	+6.9	+6.8

H298 (kcal/mol) = -41.56
S298 (cal/mol*K) = -1.37
G298 (kcal/mol) = -41.15

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H8(256)+C7H12(300)=C7H9(5)+C7H11(40) 6.104000e+12 0.000 -0.550

1750.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.96
S298 (cal/mol*K) = -8.37
G298 (kcal/mol) = -62.47

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H8(257)=C7H9(5)+C7H11(40) 4.840000e+12 0.000 0.000

1751.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.96
S298 (cal/mol*K) = -8.37
G298 (kcal/mol) = -62.47

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H8(257)+C7H12(300)=C7H9(5)+C7H11(40) 4.840000e+12 0.000 0.000

1752.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.7	+6.6	+6.6

H298 (kcal/mol) = -63.40
S298 (cal/mol*K) = 12.35
G298 (kcal/mol) = -67.08

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H8(258)=C7H9(5)+C7H11(40) 4.600000e+13 -0.320 0.000

1753.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.7	+6.6	+6.6

H298 (kcal/mol) = -63.40
S298 (cal/mol*K) = 12.35
G298 (kcal/mol) = -67.08

1754.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.9	+6.9	+6.9

H298 (kcal/mol) = -77.26
S298 (cal/mol*K) = 6.65
G298 (kcal/mol) = -79.25

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(288)+C7H10(33)=C7H9(5)+C7H11(40) 7.240000e+12 0.000 0.000

1755.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.7	+7.6	+7.5	+7.5

Arrhenius(A=(4.104e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 8.0 family: Disproportionation""")

H298 (kcal/mol) = -62.86
S298 (cal/mol*K) = -1.77
G298 (kcal/mol) = -62.34

! Template reaction: Disproportionation ! From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H10(33)+C7H10(31)=C7H9(5)+C7H11(40) 4.104000e+14 -0.350 0.000

1756.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -50.01
S298 (cal/mol*K) = 5.56
G298 (kcal/mol) = -51.67

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(33)+C7H10(28)=C7H9(5)+C7H11(40) 3.052000e+12 0.000 -0.550 DUPLICATE

1757.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.7	+6.6	+6.6

H298 (kcal/mol) = -62.86
S298 (cal/mol*K) = -3.15
G298 (kcal/mol) = -61.93

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(35)+C7H10(33)=C7H9(5)+C7H11(40) 4.600000e+13 -0.320 0.000 DUPLICATE

1758.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -37.16
S298 (cal/mol*K) = 15.65
G298 (kcal/mol) = -41.83

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H10(33)+C7H10(33)=C7H9(5)+C7H11(40) 9.200000e+13 -0.320 0.000

1759.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -73.41
S298 (cal/mol*K) = -0.06
G298 (kcal/mol) = -73.40

1760.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -73.41
S298 (cal/mol*K) = -0.06
G298 (kcal/mol) = -73.40

1761.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.2	+7.3	+7.4

H298 (kcal/mol) = -90.11
S298 (cal/mol*K) = -3.44
G298 (kcal/mol) = -89.09

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(288)+C7H10(28)=C7H9(5)+C7H11(40) 1.385121e+11 0.677 -0.234

1762.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.8	+6.8	+6.8

H298 (kcal/mol) = -75.71
S298 (cal/mol*K) = -11.86
G298 (kcal/mol) = -72.18

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/NonDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(31)+C7H10(28)=C7H9(5)+C7H11(40) 7.888140e+13 -0.280 1.200

1763.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

H298 (kcal/mol) = -62.86
S298 (cal/mol*K) = -4.53
G298 (kcal/mol) = -61.51

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/OneDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(28)+C7H10(28)=C7H9(5)+C7H11(40) 3.052000e+12 0.000 -0.550

1764.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.5	+6.7	+6.9	+7.0

H298 (kcal/mol) = -75.71
S298 (cal/mol*K) = -13.24
G298 (kcal/mol) = -71.77

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(35)+C7H10(28)=C7H9(5)+C7H11(40) 1.322006e+11 0.573 0.432 DUPLICATE

1765.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+7.0	+7.2	+7.3

H298 (kcal/mol) = -50.01
S298 (cal/mol*K) = 5.56
G298 (kcal/mol) = -51.67

1766.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -86.26
S298 (cal/mol*K) = -10.15
G298 (kcal/mol) = -83.24

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(30)+C7H10(28)=C7H9(5)+C7H11(40) 1.291927e+13 -0.140 1.200

1767.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -86.26
S298 (cal/mol*K) = -10.15
G298 (kcal/mol) = -83.24

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(29)+C7H10(28)=C7H9(5)+C7H11(40) 1.291927e+13 -0.140 1.200

1768.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.0	+3.6	+5.1	+5.9

Arrhenius(A=(0.000210297,'m^3/(mol*s)'), n=3.319, Ea=(50.8889,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/NonDeC;Y_1centerbirad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = -8.99
S298 (cal/mol*K) = 25.19
G298 (kcal/mol) = -16.50

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(40); C7H8(261), C7H9(5); ! Estimated using an average for rate rule [C/H2/NonDeC;Y_1centerbirad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H8(261)=C7H9(5)+C7H11(40) 2.102974e+02 3.319 12.163

1769.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+2.9	+4.7	+5.6	+6.2

H298 (kcal/mol) = -10.55
S298 (cal/mol*K) = 3.09
G298 (kcal/mol) = -11.47

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(40); C7H8(257), C7H9(5); ! Estimated using an average for rate rule [C/H2/NonDeC;Cd_rad/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H8(257)=C7H9(5)+C7H11(40) 1.924128e-02 4.290 2.113

1770.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.8	+5.3	+6.1	+6.7

H298 (kcal/mol) = -36.85
S298 (cal/mol*K) = 0.85
G298 (kcal/mol) = -37.10

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H10(288), C7H11(40); ! Estimated using template [C/H2/CdCd;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCd;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H10(288)=C7H9(5)+C7H11(40) 3.175785e-02 4.339 0.990

1771.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+0.3	+2.8	+3.9	+4.7

Arrhenius(A=(1.67104e-09,'m^3/(mol*s)'), n=4.26, Ea=(23.5141,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = -22.45
S298 (cal/mol*K) = -7.57
G298 (kcal/mol) = -20.19

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H10(31), C7H11(40); ! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(65)+C7H10(31)=C7H9(5)+C7H11(40) 1.671040e-03 4.260 5.620

1772.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+0.3	+2.9	+4.2	+4.9

Arrhenius(A=(0.001962,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1132 used for C/H2/CdCd;C_rad/H/CdCs Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -9.60
S298 (cal/mol*K) = -0.24
G298 (kcal/mol) = -9.53

! Template reaction: H_Abstraction ! Flux pairs: C7H10(65), C7H9(5); C7H10(28), C7H11(40); ! From training reaction 1132 used for C/H2/CdCd;C_rad/H/CdCs ! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(65)+C7H10(28)=C7H9(5)+C7H11(40) 1.962000e-03 4.340 6.300

1773.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-11.3	-2.2	+1.2	+3.1

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 5.86
G298 (kcal/mol) = 31.25

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(65); C7H11(40), C7H10(30); ! From training reaction 1612 used for Cd/H/NonDeC;C_rad/H/CdCd ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCd] ! Euclidian distance = 0 ! family: H_Abstraction C7H9(5)+C7H11(40)=C7H10(65)+C7H10(30) 5.030000e-02 4.340 36.040

1774.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-11.3	-2.2	+1.2	+3.1

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 5.86
G298 (kcal/mol) = 31.25

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(65); C7H11(40), C7H10(29); ! From training reaction 1612 used for Cd/H/NonDeC;C_rad/H/CdCd ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCd] ! Euclidian distance = 0 ! family: H_Abstraction C7H9(5)+C7H11(40)=C7H10(65)+C7H10(29) 5.030000e-02 4.340 36.040

1778.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -102.96
S298 (cal/mol*K) = -12.15
G298 (kcal/mol) = -99.34

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(288)+C7H10(35)=C7H9(5)+C7H11(40) 2.000000e+10 0.000 0.000

1779.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

Arrhenius(A=(2.052e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -88.56
S298 (cal/mol*K) = -20.57
G298 (kcal/mol) = -82.43

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(35)+C7H10(31)=C7H9(5)+C7H11(40) 2.052000e+14 -0.350 0.000

1780.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

H298 (kcal/mol) = -75.71
S298 (cal/mol*K) = -13.24
G298 (kcal/mol) = -71.77

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(35)+C7H10(28)=C7H9(5)+C7H11(40) 1.526000e+12 0.000 -0.550 DUPLICATE

1781.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -88.56
S298 (cal/mol*K) = -21.95
G298 (kcal/mol) = -82.02

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(35)+C7H10(35)=C7H9(5)+C7H11(40) 2.000000e+10 0.000 0.000

1782.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.6	+4.6	+4.6	+4.6

H298 (kcal/mol) = -62.86
S298 (cal/mol*K) = -3.15
G298 (kcal/mol) = -61.93

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(35)+C7H10(33)=C7H9(5)+C7H11(40) 4.000000e+10 0.000 0.000 DUPLICATE

1783.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -99.11
S298 (cal/mol*K) = -18.86
G298 (kcal/mol) = -93.49

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(35)+C7H10(30)=C7H9(5)+C7H11(40) 2.420000e+12 0.000 0.000

1784.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -99.11
S298 (cal/mol*K) = -18.86
G298 (kcal/mol) = -93.49

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(35)+C7H10(29)=C7H9(5)+C7H11(40) 2.420000e+12 0.000 0.000

1785.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+5.1	+6.0	+6.6

H298 (kcal/mol) = -34.89
S298 (cal/mol*K) = 20.71
G298 (kcal/mol) = -41.06

! Template reaction: H_Abstraction ! Flux pairs: C7H10(1), C7H9(5); C7H10(288), C7H11(40); ! Estimated using template [C/H2/CdCs;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCs;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H10(288)=C7H9(5)+C7H11(40) 5.544804e+00 3.692 3.420

1786.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+2.2	+4.2	+5.2	+5.8

Arrhenius(A=(6.824e-09,'m^3/(mol*s)'), n=4.34, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] Euclidian distance = 0 Multiplied by reaction path degeneracy 8.0 family: H_Abstraction""")

H298 (kcal/mol) = -20.49
S298 (cal/mol*K) = 12.29
G298 (kcal/mol) = -24.15

! Template reaction: H_Abstraction ! Flux pairs: C7H10(1), C7H9(5); C7H10(31), C7H11(40); ! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 8.0 ! family: H_Abstraction C7H10(1)+C7H10(31)=C7H9(5)+C7H11(40) 6.824000e-03 4.340 3.100

1787.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.4	+2.4	+4.0	+5.0

Arrhenius(A=(0.00916,'cm^3/(mol*s)'), n=4.34, Ea=(48.9528,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = -7.64
S298 (cal/mol*K) = 19.62
G298 (kcal/mol) = -13.49

! Template reaction: H_Abstraction ! Flux pairs: C7H10(1), C7H9(5); C7H10(28), C7H11(40); ! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(1)+C7H10(28)=C7H9(5)+C7H11(40) 9.160000e-03 4.340 11.700

1788.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-9.5	-1.4	+1.7	+3.3

H298 (kcal/mol) = 31.04
S298 (cal/mol*K) = -14.00
G298 (kcal/mol) = 35.21

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H11(40), C7H10(30); ! From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H9(5)+C7H11(40)=C7H10(1)+C7H10(30) 2.520000e-02 4.340 31.040

1789.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-9.5	-1.4	+1.7	+3.3

H298 (kcal/mol) = 31.04
S298 (cal/mol*K) = -14.00
G298 (kcal/mol) = 35.21

! Template reaction: H_Abstraction ! Flux pairs: C7H9(5), C7H10(1); C7H11(40), C7H10(29); ! From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H9(5)+C7H11(40)=C7H10(1)+C7H10(29) 2.520000e-02 4.340 31.040

1791.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.4	+6.0	+6.2	+6.3

H298 (kcal/mol) = -13.54
S298 (cal/mol*K) = 6.58
G298 (kcal/mol) = -15.50

! Template reaction: Disproportionation ! Flux pairs: C7H11(22), C7H10(264); C7H11(22), C7H12(16); ! Estimated using average of templates [C_sec_rad;Cdpri_Csrad] + [C_rad/H/OneDeC;XH_s_Rrad] for rate rule [C_rad/H/OneDeC;Cdpri_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(22)+C7H11(22)=C7H12(16)+C7H10(264) 3.738738e+12 0.000 2.725

1792.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.9	+6.9	+6.9

H298 (kcal/mol) = -77.81
S298 (cal/mol*K) = -18.46
G298 (kcal/mol) = -72.31

! Template reaction: Disproportionation ! Flux pairs: C7H10(32), C7H11(22); C7H12(293), C7H11(22); ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H10(32)=C7H11(22)+C7H11(22) 7.240000e+12 0.000 0.000 DUPLICATE

1793.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.2	+7.3	+7.4

H298 (kcal/mol) = -77.81
S298 (cal/mol*K) = -18.46
G298 (kcal/mol) = -72.31

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H10(32)=C7H11(22)+C7H11(22) 1.385121e+11 0.677 -0.234 DUPLICATE

1794.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -67.26
S298 (cal/mol*K) = -21.55
G298 (kcal/mol) = -60.84

! Template reaction: Disproportionation ! From training reaction 27 used for C_rad/H/NonDeC;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H10(28)=C7H11(22)+C7H11(22) 2.052000e+14 -0.350 0.000

1795.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.5	+6.5	+6.5

H298 (kcal/mol) = -67.26
S298 (cal/mol*K) = -21.55
G298 (kcal/mol) = -60.84

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/NonDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H10(28)=C7H11(22)+C7H11(22) 3.944070e+13 -0.280 1.200

1796.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.9	+6.9	+6.8

H298 (kcal/mol) = -54.41
S298 (cal/mol*K) = -11.46
G298 (kcal/mol) = -51.00

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H12(293)+C7H10(33)=C7H11(22)+C7H11(22) 6.104000e+12 0.000 -0.550 DUPLICATE

1797.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

H298 (kcal/mol) = -54.41
S298 (cal/mol*K) = -11.46
G298 (kcal/mol) = -51.00

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/OneDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H10(33)=C7H11(22)+C7H11(22) 3.052000e+12 0.000 -0.550 DUPLICATE

1798.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -54.41
S298 (cal/mol*K) = -11.46
G298 (kcal/mol) = -51.00

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation C7H12(293)+C7H10(33)=C7H11(22)+C7H11(22) 9.200000e+13 -0.320 0.000 DUPLICATE

1799.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+7.0	+7.2	+7.3

H298 (kcal/mol) = -54.41
S298 (cal/mol*K) = -11.46
G298 (kcal/mol) = -51.00

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H10(33)=C7H11(22)+C7H11(22) 2.644013e+11 0.573 0.432 DUPLICATE

1800.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -77.81
S298 (cal/mol*K) = -18.46
G298 (kcal/mol) = -72.31

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H10(32)=C7H11(22)+C7H11(22) 4.840000e+12 0.000 0.000 DUPLICATE

1801.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -77.81
S298 (cal/mol*K) = -18.46
G298 (kcal/mol) = -72.31

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H10(32)=C7H11(22)+C7H11(22) 1.291927e+13 -0.140 1.200 DUPLICATE

1802.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.7	+6.6	+6.6

H298 (kcal/mol) = -77.81
S298 (cal/mol*K) = -17.08
G298 (kcal/mol) = -72.72

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H10(34)=C7H11(22)+C7H11(22) 4.600000e+13 -0.320 0.000

1803.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.5	+6.7	+6.9	+7.0

H298 (kcal/mol) = -77.81
S298 (cal/mol*K) = -17.08
G298 (kcal/mol) = -72.72

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H10(34)=C7H11(22)+C7H11(22) 1.322006e+11 0.573 0.432

1804.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+5.1	+6.0	+6.6

H298 (kcal/mol) = -23.40
S298 (cal/mol*K) = -7.00
G298 (kcal/mol) = -21.31

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(22); C7H10(32), C7H11(22); ! Estimated using template [C/H2/CdCs;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCs;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H10(32)=C7H11(22)+C7H11(22) 5.544804e+00 3.692 3.420 DUPLICATE

1805.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.9	+3.9	+4.9	+5.5

H298 (kcal/mol) = -12.85
S298 (cal/mol*K) = -10.09
G298 (kcal/mol) = -9.84

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(22); C7H10(28), C7H11(22); ! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H10(28)=C7H11(22)+C7H11(22) 3.412000e-03 4.340 3.100

1806.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-7.6	-0.5	+2.3	+3.8

Arrhenius(A=(0.0252,'cm^3/(mol*s)'), n=4.34, Ea=(112.591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = 23.40
S298 (cal/mol*K) = 7.00
G298 (kcal/mol) = 21.31

! Template reaction: H_Abstraction ! Flux pairs: C7H11(22), C7H12(16); C7H11(22), C7H10(32); ! From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H11(22)+C7H11(22)=C7H12(16)+C7H10(32) 2.520000e-02 4.340 26.910 DUPLICATE

1808.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.8	+6.8	+6.8

H298 (kcal/mol) = -57.87
S298 (cal/mol*K) = -21.29
G298 (kcal/mol) = -51.53

! Template reaction: Disproportionation ! Flux pairs: C7H11(22), C7H10(1); C7H11(46), C7H12(299); ! Estimated using template [C_rad/H2/Cs;C/H2/Nd_Csrad] for rate rule [C_rad/H2/Cs;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H11(46)=C7H10(1)+C7H12(299) 5.800000e+12 0.000 0.000

1809.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.4	+4.7	+5.1	+5.3

Arrhenius(A=(9.64e+11,'cm^3/(mol*s)','*|/',2), n=0, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 47 used for C_rad/H2/Cs;Cdpri_Csrad Exact match found for rate rule [C_rad/H2/Cs;Cdpri_Csrad] Euclidian distance = 0 family: Disproportionation""")

H298 (kcal/mol) = -29.04
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -28.85

! Template reaction: Disproportionation ! Flux pairs: C7H11(22), C7H10(264); C7H11(46), C7H12(299); ! From training reaction 47 used for C_rad/H2/Cs;Cdpri_Csrad ! Exact match found for rate rule [C_rad/H2/Cs;Cdpri_Csrad] ! Euclidian distance = 0 ! family: Disproportionation C7H11(22)+C7H11(46)=C7H10(264)+C7H12(299) 9.640000e+11 0.000 6.000

1810.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.6	+6.7	+6.8

H298 (kcal/mol) = -66.63
S298 (cal/mol*K) = -8.06
G298 (kcal/mol) = -64.23

! Template reaction: Disproportionation ! Flux pairs: C7H10(32), C7H11(46); C7H12(295), C7H11(22); ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Nd_Csrad/H/Cd] + [Y_1centerbirad;C/H2/Nd_Csrad] for rate rule ! [Y_1centerbirad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(32)=C7H11(22)+C7H11(46) 6.828294e+10 0.595 0.255 DUPLICATE

1811.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -79.82
S298 (cal/mol*K) = -14.17
G298 (kcal/mol) = -75.60

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(32)=C7H11(22)+C7H11(46) 2.000000e+10 0.000 0.000 DUPLICATE

1812.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -79.70
S298 (cal/mol*K) = -12.23
G298 (kcal/mol) = -76.06

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(32)=C7H11(22)+C7H11(46) 2.000000e+10 0.000 0.000 DUPLICATE

1813.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.7	+5.9	+6.3	+6.5

H298 (kcal/mol) = -64.03
S298 (cal/mol*K) = -4.62
G298 (kcal/mol) = -62.66

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;Cmethyl_Csrad/H/Cd] + [Y_1centerbirad;Cmethyl_Csrad] for rate rule ! [Y_1centerbirad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(32)=C7H11(22)+C7H11(46) 1.276238e+13 0.000 5.500 DUPLICATE

1814.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

Arrhenius(A=(1.026e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -56.08
S298 (cal/mol*K) = -11.15
G298 (kcal/mol) = -52.76

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(28)=C7H11(22)+C7H11(46) 1.026000e+14 -0.350 0.000

1815.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -69.27
S298 (cal/mol*K) = -17.26
G298 (kcal/mol) = -64.13

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(28)=C7H11(22)+C7H11(46) 1.026000e+14 -0.350 0.000

1816.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -69.15
S298 (cal/mol*K) = -15.32
G298 (kcal/mol) = -64.59

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(28)=C7H11(22)+C7H11(46) 1.026000e+14 -0.350 0.000

1817.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.0	+5.9	+5.9	+5.8

H298 (kcal/mol) = -53.48
S298 (cal/mol*K) = -7.71
G298 (kcal/mol) = -51.19

! Template reaction: Disproportionation ! Estimated using average of templates [C_sec_rad;Cmethyl_Csrad/H/Cd] + [C_rad/H/NonDeC;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(28)=C7H11(22)+C7H11(46) 9.744229e+12 -0.350 0.000

1818.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

H298 (kcal/mol) = -43.23
S298 (cal/mol*K) = -1.06
G298 (kcal/mol) = -42.92

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(295)+C7H10(33)=C7H11(22)+C7H11(46) 3.052000e+12 0.000 -0.550 DUPLICATE

1819.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -56.42
S298 (cal/mol*K) = -7.17
G298 (kcal/mol) = -54.29

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(296)+C7H10(33)=C7H11(22)+C7H11(46) 3.052000e+12 0.000 -0.550 DUPLICATE

1820.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -56.30
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -54.74

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(297)+C7H10(33)=C7H11(22)+C7H11(46) 3.052000e+12 0.000 -0.550 DUPLICATE

1821.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.5	+5.5	+5.5	+5.5

H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = 2.37
G298 (kcal/mol) = -41.34

! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;Cmethyl_Csrad/H/Cd] for rate rule [C_rad/H/OneDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 6.0 ! family: Disproportionation C7H12(298)+C7H10(33)=C7H11(22)+C7H11(46) 3.000000e+11 0.000 0.000 DUPLICATE

1822.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.9	+7.1	+7.3

H298 (kcal/mol) = -43.23
S298 (cal/mol*K) = -1.06
G298 (kcal/mol) = -42.92

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(295)+C7H10(33)=C7H11(22)+C7H11(46) 2.576000e+09 1.190 0.510 DUPLICATE

1823.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.6	+4.6	+4.6	+4.6

H298 (kcal/mol) = -56.42
S298 (cal/mol*K) = -7.17
G298 (kcal/mol) = -54.29

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(296)+C7H10(33)=C7H11(22)+C7H11(46) 4.000000e+10 0.000 0.000 DUPLICATE

1824.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.6	+4.6	+4.6	+4.6

H298 (kcal/mol) = -56.30
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -54.74

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(297)+C7H10(33)=C7H11(22)+C7H11(46) 4.000000e+10 0.000 0.000 DUPLICATE

1825.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.5	+5.5	+5.5	+5.5

Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using an average for rate rule [Y_rad;Cmethyl_Csrad/H/Cd] Euclidian distance = 0 Multiplied by reaction path degeneracy 6.0 family: Disproportionation""")

H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = 2.37
G298 (kcal/mol) = -41.34

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 6.0 ! family: Disproportionation C7H12(298)+C7H10(33)=C7H11(22)+C7H11(46) 3.000000e+11 0.000 0.000 DUPLICATE

1826.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -66.63
S298 (cal/mol*K) = -8.06
G298 (kcal/mol) = -64.23

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(32)=C7H11(22)+C7H11(46) 2.420000e+12 0.000 0.000 DUPLICATE

1827.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.82
S298 (cal/mol*K) = -14.17
G298 (kcal/mol) = -75.60

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(32)=C7H11(22)+C7H11(46) 2.420000e+12 0.000 0.000 DUPLICATE

1828.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.70
S298 (cal/mol*K) = -12.23
G298 (kcal/mol) = -76.06

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(32)=C7H11(22)+C7H11(46) 2.420000e+12 0.000 0.000 DUPLICATE

1829.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

H298 (kcal/mol) = -64.03
S298 (cal/mol*K) = -4.62
G298 (kcal/mol) = -62.66

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(32)=C7H11(22)+C7H11(46) 4.560000e+14 -0.700 0.000 DUPLICATE

1830.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.1	+6.6	+6.8	+7.0

H298 (kcal/mol) = -66.63
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -64.64

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(34)=C7H11(22)+C7H11(46) 1.288000e+09 1.190 0.510

1831.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -79.82
S298 (cal/mol*K) = -12.79
G298 (kcal/mol) = -76.01

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(34)=C7H11(22)+C7H11(46) 2.000000e+10 0.000 0.000

1832.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -79.70
S298 (cal/mol*K) = -10.85
G298 (kcal/mol) = -76.47

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(34)=C7H11(22)+C7H11(46) 2.000000e+10 0.000 0.000

1833.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.2	+5.2	+5.2	+5.2

H298 (kcal/mol) = -64.03
S298 (cal/mol*K) = -3.25
G298 (kcal/mol) = -63.07

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(34)=C7H11(22)+C7H11(46) 1.500000e+11 0.000 0.000

1834.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.9	+6.9	+6.9

H298 (kcal/mol) = -79.01
S298 (cal/mol*K) = -14.04
G298 (kcal/mol) = -74.83

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H10(282)=C7H11(22)+C7H11(46) 7.240000e+12 0.000 0.000

1835.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.7	+6.6	+6.6

H298 (kcal/mol) = -45.30
S298 (cal/mol*K) = -11.23
G298 (kcal/mol) = -41.96

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H10(89)=C7H11(22)+C7H11(46) 4.600000e+13 -0.320 0.000

1836.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -45.87
S298 (cal/mol*K) = -15.07
G298 (kcal/mol) = -41.38

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(18)+C7H12(293)=C7H11(22)+C7H11(46) 3.052000e+12 0.000 -0.550

1837.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -77.81
S298 (cal/mol*K) = -17.08
G298 (kcal/mol) = -72.72

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H10(95)=C7H11(22)+C7H11(46) 4.840000e+12 0.000 0.000

1838.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -68.61
S298 (cal/mol*K) = -15.98
G298 (kcal/mol) = -63.85

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H10(96)=C7H11(22)+C7H11(46) 4.840000e+12 0.000 0.000

1839.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -68.61
S298 (cal/mol*K) = -15.98
G298 (kcal/mol) = -63.85

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H10(97)=C7H11(22)+C7H11(46) 4.840000e+12 0.000 0.000

1840.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

H298 (kcal/mol) = -80.01
S298 (cal/mol*K) = -16.66
G298 (kcal/mol) = -75.05

! Template reaction: Disproportionation ! From training reaction 29 used for Cd_pri_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Cd_pri_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(293)+C7H10(37)=C7H11(22)+C7H11(46) 4.840000e+12 0.000 0.000

1841.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.2	+7.3	+7.4

H298 (kcal/mol) = -79.01
S298 (cal/mol*K) = -14.04
G298 (kcal/mol) = -74.83

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H10(282)=C7H11(22)+C7H11(46) 1.385121e+11 0.677 -0.234

1842.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.5	+6.7	+6.9	+7.0

H298 (kcal/mol) = -45.30
S298 (cal/mol*K) = -11.23
G298 (kcal/mol) = -41.96

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H10(89)=C7H11(22)+C7H11(46) 1.322006e+11 0.573 0.432

1843.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

H298 (kcal/mol) = -45.87
S298 (cal/mol*K) = -15.07
G298 (kcal/mol) = -41.38

! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H/OneDeC;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(18)+C7H12(294)=C7H11(22)+C7H11(46) 1.526000e+12 0.000 -0.550

1844.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -77.81
S298 (cal/mol*K) = -17.08
G298 (kcal/mol) = -72.72

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/NonDeC;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H10(95)=C7H11(22)+C7H11(46) 1.291927e+13 -0.140 1.200

1845.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

Arrhenius(A=(1.29193e+07,'m^3/(mol*s)'), n=-0.14, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -68.61
S298 (cal/mol*K) = -15.98
G298 (kcal/mol) = -63.85

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H10(96)=C7H11(22)+C7H11(46) 1.291927e+13 -0.140 1.200

1846.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

Arrhenius(A=(1.29193e+07,'m^3/(mol*s)'), n=-0.14, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -68.61
S298 (cal/mol*K) = -15.98
G298 (kcal/mol) = -63.85

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_s_Rrad] for rate rule [Cd_rad/OneDe;XH_s_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H10(97)=C7H11(22)+C7H11(46) 1.291927e+13 -0.140 1.200

1847.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.2	+6.4	+6.5	+6.5

H298 (kcal/mol) = -80.01
S298 (cal/mol*K) = -16.66
G298 (kcal/mol) = -75.05

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Cd_pri_rad;XH_s_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(294)+C7H10(37)=C7H11(22)+C7H11(46) 1.291927e+13 -0.140 1.200

1848.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+2.9	+5.0	+5.9	+6.5

H298 (kcal/mol) = -7.90
S298 (cal/mol*K) = 0.23
G298 (kcal/mol) = -7.97

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H10(32), C7H11(22); ! Estimated using average of templates [C/H3/Cs\OneNonDe;Y_1centerbirad] + [C/H3/Cs\H2\Cs;Y_rad_birad_trirad_quadrad] for rate rule ! [C/H3/Cs\H2\Cs;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H10(32)+C7H12(299)=C7H11(22)+C7H11(46) 3.272096e+01 3.489 4.580 DUPLICATE

1849.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.1	+2.9	+4.2	+5.0

Arrhenius(A=(4.32773e-09,'m^3/(mol*s)'), n=4.29, Ea=(31.5317,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = -2.65
S298 (cal/mol*K) = 2.86
G298 (kcal/mol) = -3.50

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H11(22), C7H10(28); ! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H11(22)+C7H11(46)=C7H10(28)+C7H12(299) 4.327734e-03 4.290 7.536

1850.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+3.8	+4.9	+5.7

H298 (kcal/mol) = -7.90
S298 (cal/mol*K) = 0.23
G298 (kcal/mol) = -7.97

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H10(32), C7H11(22); ! Estimated using an average for rate rule [C/H3/Cs\H2\Cs;Cd_rad/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H10(32)+C7H12(299)=C7H11(22)+C7H11(46) 9.330000e-05 4.870 3.500 DUPLICATE

1851.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+5.1	+6.0	+6.6

H298 (kcal/mol) = -24.60
S298 (cal/mol*K) = -2.58
G298 (kcal/mol) = -23.83

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(22); C7H10(282), C7H11(46); ! Estimated using template [C/H2/CdCs;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/CdCs;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H10(282)=C7H11(22)+C7H11(46) 5.544804e+00 3.692 3.420

1853.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-7.6	-0.5	+2.3	+3.8

H298 (kcal/mol) = 23.40
S298 (cal/mol*K) = 5.62
G298 (kcal/mol) = 21.73

! Template reaction: H_Abstraction ! Flux pairs: C7H11(22), C7H12(16); C7H11(46), C7H10(95); ! From training reaction 1610 used for Cd/H/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H11(22)+C7H11(46)=C7H12(16)+C7H10(95) 2.520000e-02 4.340 26.910

1854.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.7	+0.6	+3.0	+4.4

H298 (kcal/mol) = 14.20
S298 (cal/mol*K) = 4.52
G298 (kcal/mol) = 12.85

! Template reaction: H_Abstraction ! Flux pairs: C7H11(22), C7H12(16); C7H11(46), C7H10(96); ! From training reaction 1653 used for Cd/H/Cd;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/Cd;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H11(22)+C7H11(46)=C7H12(16)+C7H10(96) 3.540000e-02 4.340 22.800

1855.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.7	+0.6	+3.0	+4.4

H298 (kcal/mol) = 14.20
S298 (cal/mol*K) = 4.52
G298 (kcal/mol) = 12.85

! Template reaction: H_Abstraction ! Flux pairs: C7H11(22), C7H12(16); C7H11(46), C7H10(97); ! From training reaction 1653 used for Cd/H/Cd;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H/Cd;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H11(22)+C7H11(46)=C7H12(16)+C7H10(97) 3.540000e-02 4.340 22.800

1856.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-7.1	+0.0	+2.7	+4.2

Arrhenius(A=(0.07,'cm^3/(mol*s)'), n=4.34, Ea=(112.048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""From training reaction 1571 used for Cd/H2/NonDeC;C_rad/H/CdCs Exact match found for rate rule [Cd/H2/NonDeC;C_rad/H/CdCs] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = 25.60
S298 (cal/mol*K) = 5.20
G298 (kcal/mol) = 24.05

! Template reaction: H_Abstraction ! Flux pairs: C7H11(22), C7H12(16); C7H11(46), C7H10(37); ! From training reaction 1571 used for Cd/H2/NonDeC;C_rad/H/CdCs ! Exact match found for rate rule [Cd/H2/NonDeC;C_rad/H/CdCs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H11(22)+C7H11(46)=C7H12(16)+C7H10(37) 7.000000e-02 4.340 26.780

1857.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.4	+6.3	+6.2

H298 (kcal/mol) = -41.03
S298 (cal/mol*K) = -2.56
G298 (kcal/mol) = -40.27

! Template reaction: Disproportionation ! Flux pairs: C7H9(44), C7H11(46); C7H12(295), C7H10(21); ! Estimated using template [C_ter_rad;C/H2/Nd_Csrad] for rate rule [C_rad/Cs2;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(44)+C7H12(295)=C7H10(21)+C7H11(46) 4.320000e+14 -0.750 0.000

1858.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.4	+6.3	+6.2

H298 (kcal/mol) = -54.22
S298 (cal/mol*K) = -8.67
G298 (kcal/mol) = -51.64

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;Cpri_Rrad] for rate rule [C_rad/Cs2;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(44)+C7H12(296)=C7H10(21)+C7H11(46) 4.320000e+14 -0.750 0.000

1859.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.4	+6.3	+6.2

H298 (kcal/mol) = -54.10
S298 (cal/mol*K) = -6.73
G298 (kcal/mol) = -52.10

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;Cpri_Rrad] for rate rule [C_rad/Cs2;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(44)+C7H12(297)=C7H10(21)+C7H11(46) 4.320000e+14 -0.750 0.000

1860.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.0	+6.6	+6.4	+6.3

H298 (kcal/mol) = -38.43
S298 (cal/mol*K) = 0.88
G298 (kcal/mol) = -38.69

! Template reaction: Disproportionation ! Estimated using template [C_ter_rad;Cmethyl_Csrad] for rate rule [C_rad/Cs2;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H9(44)+C7H12(298)=C7H10(21)+C7H11(46) 8.580000e+15 -1.100 0.000

1861.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

Arrhenius(A=(1.026e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -56.08
S298 (cal/mol*K) = -10.69
G298 (kcal/mol) = -52.90

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(45)+C7H12(295)=C7H10(21)+C7H11(46) 1.026000e+14 -0.350 0.000

1862.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -69.27
S298 (cal/mol*K) = -16.80
G298 (kcal/mol) = -64.27

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(45)+C7H12(296)=C7H10(21)+C7H11(46) 1.026000e+14 -0.350 0.000

1863.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -69.15
S298 (cal/mol*K) = -14.86
G298 (kcal/mol) = -64.73

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(45)+C7H12(297)=C7H10(21)+C7H11(46) 1.026000e+14 -0.350 0.000

1864.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.0	+5.9	+5.9	+5.8

H298 (kcal/mol) = -53.48
S298 (cal/mol*K) = -7.25
G298 (kcal/mol) = -51.32

! Template reaction: Disproportionation ! Estimated using average of templates [C_sec_rad;Cmethyl_Csrad/H/Cd] + [C_rad/H/NonDeC;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H9(45)+C7H12(298)=C7H10(21)+C7H11(46) 9.744229e+12 -0.350 0.000

1865.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

Arrhenius(A=(1.026e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -54.03
S298 (cal/mol*K) = -9.77
G298 (kcal/mol) = -51.12

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H9(46)=C7H10(21)+C7H11(46) 1.026000e+14 -0.350 0.000

1866.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -67.22
S298 (cal/mol*K) = -15.88
G298 (kcal/mol) = -62.49

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H9(46)=C7H10(21)+C7H11(46) 1.026000e+14 -0.350 0.000

1867.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

H298 (kcal/mol) = -67.10
S298 (cal/mol*K) = -13.94
G298 (kcal/mol) = -62.95

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H9(46)=C7H10(21)+C7H11(46) 1.026000e+14 -0.350 0.000

1868.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.0	+5.9	+5.9	+5.8

H298 (kcal/mol) = -51.43
S298 (cal/mol*K) = -6.34
G298 (kcal/mol) = -49.55

! Template reaction: Disproportionation ! Estimated using average of templates [C_sec_rad;Cmethyl_Csrad/H/Cd] + [C_rad/H/NonDeC;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H9(46)=C7H10(21)+C7H11(46) 9.744229e+12 -0.350 0.000

1869.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.13
S298 (cal/mol*K) = -8.06
G298 (kcal/mol) = -67.73

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H9(47)=C7H10(21)+C7H11(46) 2.420000e+12 0.000 0.000

1870.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -83.32
S298 (cal/mol*K) = -14.17
G298 (kcal/mol) = -79.10

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H9(47)=C7H10(21)+C7H11(46) 2.420000e+12 0.000 0.000

1871.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -83.20
S298 (cal/mol*K) = -12.23
G298 (kcal/mol) = -79.56

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H9(47)=C7H10(21)+C7H11(46) 2.420000e+12 0.000 0.000

1872.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

H298 (kcal/mol) = -67.53
S298 (cal/mol*K) = -4.62
G298 (kcal/mol) = -66.16

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H9(47)=C7H10(21)+C7H11(46) 4.560000e+14 -0.700 0.000

1873.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.6	+6.6	+6.6	+6.6

H298 (kcal/mol) = -73.47
S298 (cal/mol*K) = -6.73
G298 (kcal/mol) = -71.47

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(283)+C7H10(282)=C7H10(21)+C7H11(46) 3.620000e+12 0.000 0.000

1874.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.5	+6.4	+6.3	+6.3

H298 (kcal/mol) = -39.76
S298 (cal/mol*K) = -3.92
G298 (kcal/mol) = -38.60

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(283)+C7H10(89)=C7H10(21)+C7H11(46) 2.300000e+13 -0.320 0.000

1875.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

Arrhenius(A=(1.526e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -40.33
S298 (cal/mol*K) = -7.76
G298 (kcal/mol) = -38.02

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(18)+C7H11(283)=C7H10(21)+C7H11(46) 1.526000e+12 0.000 -0.550

1876.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -72.27
S298 (cal/mol*K) = -9.77
G298 (kcal/mol) = -69.36

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(283)+C7H10(95)=C7H10(21)+C7H11(46) 2.420000e+12 0.000 0.000

1877.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -63.07
S298 (cal/mol*K) = -8.67
G298 (kcal/mol) = -60.49

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(283)+C7H10(96)=C7H10(21)+C7H11(46) 2.420000e+12 0.000 0.000

1878.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -63.07
S298 (cal/mol*K) = -8.67
G298 (kcal/mol) = -60.49

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(283)+C7H10(97)=C7H10(21)+C7H11(46) 2.420000e+12 0.000 0.000

1879.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 29 used for Cd_pri_rad;C/H2/Nd_Csrad Exact match found for rate rule [Cd_pri_rad;C/H2/Nd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -74.47
S298 (cal/mol*K) = -9.35
G298 (kcal/mol) = -71.69

! Template reaction: Disproportionation ! From training reaction 29 used for Cd_pri_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Cd_pri_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(283)+C7H10(37)=C7H10(21)+C7H11(46) 2.420000e+12 0.000 0.000

1880.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.8	+3.6	+4.5	+5.1

Arrhenius(A=(0.001104,'cm^3/(mol*s)'), n=4.34, Ea=(9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -17.70
S298 (cal/mol*K) = -5.73
G298 (kcal/mol) = -15.99

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H10(21), C7H9(44); ! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(21)+C7H11(46)=C7H9(44)+C7H12(299) 1.104000e-03 4.340 2.200

1881.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.4	+2.7	+4.0	+4.8

Arrhenius(A=(5.08948e-09,'m^3/(mol*s)'), n=4.24, Ea=(33.7754,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/NonDeC_5ring;C_rad/H2/Cs] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = -2.65
S298 (cal/mol*K) = 2.40
G298 (kcal/mol) = -3.37

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H10(21), C7H9(45); ! Estimated using an average for rate rule [C/H2/NonDeC_5ring;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H10(21)+C7H11(46)=C7H9(45)+C7H12(299) 5.089478e-03 4.240 8.073

1882.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.7	+2.4	+3.7	+4.5

Arrhenius(A=(2.54474e-09,'m^3/(mol*s)'), n=4.24, Ea=(33.7754,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/NonDeC_5ring;C_rad/H2/Cs] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -4.70
S298 (cal/mol*K) = 1.48
G298 (kcal/mol) = -5.14

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H10(21), C7H9(46); ! Estimated using an average for rate rule [C/H2/NonDeC_5ring;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H10(21)+C7H11(46)=C7H9(46)+C7H12(299) 2.544739e-03 4.240 8.073

1883.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+3.8	+4.9	+5.7

H298 (kcal/mol) = -11.40
S298 (cal/mol*K) = 0.23
G298 (kcal/mol) = -11.47

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H9(47), C7H10(21); ! Estimated using an average for rate rule [C/H3/Cs\H2\Cs;Cd_rad/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H9(47)+C7H12(299)=C7H10(21)+C7H11(46) 9.330000e-05 4.870 3.500

1884.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.5	+6.5	+6.5	+6.5

Arrhenius(A=(2.9e+12,'cm^3/(mol*s)','*|/',1.4), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 21 used for C_rad/H2/Cs;C/H2/Nd_Csrad Exact match found for rate rule [C_rad/H2/Cs;C/H2/Nd_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -67.54
S298 (cal/mol*K) = -8.50
G298 (kcal/mol) = -65.01

! Template reaction: Disproportionation ! Flux pairs: C7H11(46), C7H10(146); C7H11(46), C7H12(299); ! From training reaction 21 used for C_rad/H2/Cs;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H2/Cs;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(46)+C7H11(46)=C7H10(146)+C7H12(299) 2.900000e+12 0.000 0.000

1885.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.6	+6.7	+6.8

H298 (kcal/mol) = -67.83
S298 (cal/mol*K) = -3.64
G298 (kcal/mol) = -66.75

! Template reaction: Disproportionation ! Flux pairs: C7H10(282), C7H11(46); C7H12(295), C7H11(46); ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Nd_Csrad/H/Cd] + [Y_1centerbirad;C/H2/Nd_Csrad] for rate rule ! [Y_1centerbirad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(282)=C7H11(46)+C7H11(46) 6.828294e+10 0.595 0.255

1886.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -81.02
S298 (cal/mol*K) = -9.75
G298 (kcal/mol) = -78.12

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(282)=C7H11(46)+C7H11(46) 2.000000e+10 0.000 0.000

1887.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -80.90
S298 (cal/mol*K) = -7.81
G298 (kcal/mol) = -78.58

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(282)=C7H11(46)+C7H11(46) 2.000000e+10 0.000 0.000

1888.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.7	+5.9	+6.3	+6.5

H298 (kcal/mol) = -65.23
S298 (cal/mol*K) = -0.20
G298 (kcal/mol) = -65.17

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;Cmethyl_Csrad/H/Cd] + [Y_1centerbirad;Cmethyl_Csrad] for rate rule ! [Y_1centerbirad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(282)=C7H11(46)+C7H11(46) 1.276238e+13 0.000 5.500

1889.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.1	+6.6	+6.8	+7.0

H298 (kcal/mol) = -34.12
S298 (cal/mol*K) = -0.83
G298 (kcal/mol) = -33.88

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(89)=C7H11(46)+C7H11(46) 1.288000e+09 1.190 0.510

1890.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -47.31
S298 (cal/mol*K) = -6.94
G298 (kcal/mol) = -45.25

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(89)=C7H11(46)+C7H11(46) 2.000000e+10 0.000 0.000

1891.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -47.19
S298 (cal/mol*K) = -5.00
G298 (kcal/mol) = -45.70

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(89)=C7H11(46)+C7H11(46) 2.000000e+10 0.000 0.000

1892.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.2	+5.2	+5.2	+5.2

H298 (kcal/mol) = -31.52
S298 (cal/mol*K) = 2.61
G298 (kcal/mol) = -32.30

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(89)=C7H11(46)+C7H11(46) 1.500000e+11 0.000 0.000

1893.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

Arrhenius(A=(1.526e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -34.69
S298 (cal/mol*K) = -4.67
G298 (kcal/mol) = -33.30

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(18)+C7H12(295)=C7H11(46)+C7H11(46) 1.526000e+12 0.000 -0.550

1894.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

H298 (kcal/mol) = -47.88
S298 (cal/mol*K) = -10.78
G298 (kcal/mol) = -44.67

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(18)+C7H12(296)=C7H11(46)+C7H11(46) 1.526000e+12 0.000 -0.550

1895.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

H298 (kcal/mol) = -47.76
S298 (cal/mol*K) = -8.84
G298 (kcal/mol) = -45.13

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H10(18)+C7H12(297)=C7H11(46)+C7H11(46) 1.526000e+12 0.000 -0.550

1896.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.2	+5.2	+5.2	+5.2

H298 (kcal/mol) = -32.09
S298 (cal/mol*K) = -1.24
G298 (kcal/mol) = -31.73

! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;Cmethyl_Csrad/H/Cd] for rate rule [C_rad/H/OneDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H10(18)+C7H12(298)=C7H11(46)+C7H11(46) 1.500000e+11 0.000 0.000

1897.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -66.63
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -64.64

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(95)=C7H11(46)+C7H11(46) 2.420000e+12 0.000 0.000

1898.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.82
S298 (cal/mol*K) = -12.79
G298 (kcal/mol) = -76.01

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(95)=C7H11(46)+C7H11(46) 2.420000e+12 0.000 0.000

1899.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.70
S298 (cal/mol*K) = -10.85
G298 (kcal/mol) = -76.47

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(95)=C7H11(46)+C7H11(46) 2.420000e+12 0.000 0.000

1900.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

H298 (kcal/mol) = -64.03
S298 (cal/mol*K) = -3.25
G298 (kcal/mol) = -63.07

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(95)=C7H11(46)+C7H11(46) 4.560000e+14 -0.700 0.000

1901.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -57.43
S298 (cal/mol*K) = -5.58
G298 (kcal/mol) = -55.77

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(96)=C7H11(46)+C7H11(46) 2.420000e+12 0.000 0.000

1902.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.62
S298 (cal/mol*K) = -11.69
G298 (kcal/mol) = -67.14

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(96)=C7H11(46)+C7H11(46) 2.420000e+12 0.000 0.000

1903.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.50
S298 (cal/mol*K) = -9.75
G298 (kcal/mol) = -67.60

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(96)=C7H11(46)+C7H11(46) 2.420000e+12 0.000 0.000

1904.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -54.83
S298 (cal/mol*K) = -2.15
G298 (kcal/mol) = -54.19

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(96)=C7H11(46)+C7H11(46) 4.560000e+14 -0.700 0.000

1905.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -57.43
S298 (cal/mol*K) = -5.58
G298 (kcal/mol) = -55.77

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(97)=C7H11(46)+C7H11(46) 2.420000e+12 0.000 0.000

1906.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.62
S298 (cal/mol*K) = -11.69
G298 (kcal/mol) = -67.14

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(97)=C7H11(46)+C7H11(46) 2.420000e+12 0.000 0.000

1907.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -70.50
S298 (cal/mol*K) = -9.75
G298 (kcal/mol) = -67.60

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(97)=C7H11(46)+C7H11(46) 2.420000e+12 0.000 0.000

1908.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -54.83
S298 (cal/mol*K) = -2.15
G298 (kcal/mol) = -54.19

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/OneDe;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(97)=C7H11(46)+C7H11(46) 4.560000e+14 -0.700 0.000

1909.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -68.83
S298 (cal/mol*K) = -6.26
G298 (kcal/mol) = -66.97

! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;C/H2/Nd_Csrad] for rate rule [Cd_pri_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(37)=C7H11(46)+C7H11(46) 2.420000e+12 0.000 0.000

1910.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.3	+5.3	+5.3	+5.3

H298 (kcal/mol) = -82.02
S298 (cal/mol*K) = -12.37
G298 (kcal/mol) = -78.34

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] + [Cd_pri_rad;Cpri_Rrad] for rate rule [Cd_pri_rad;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(37)=C7H11(46)+C7H11(46) 2.200000e+11 0.000 0.000

1911.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.3	+5.3	+5.3	+5.3

H298 (kcal/mol) = -81.90
S298 (cal/mol*K) = -10.43
G298 (kcal/mol) = -78.80

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] + [Cd_pri_rad;Cpri_Rrad] for rate rule [Cd_pri_rad;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(37)=C7H11(46)+C7H11(46) 2.200000e+11 0.000 0.000

1912.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_pri_rad;Cmethyl_Csrad] for rate rule [Cd_pri_rad;Cmethyl_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 3.0 family: Disproportionation""")

H298 (kcal/mol) = -66.23
S298 (cal/mol*K) = -2.83
G298 (kcal/mol) = -65.39

! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;Cmethyl_Csrad] for rate rule [Cd_pri_rad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(37)=C7H11(46)+C7H11(46) 4.560000e+14 -0.700 0.000

1913.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+2.9	+5.0	+5.9	+6.5

H298 (kcal/mol) = -9.10
S298 (cal/mol*K) = 4.65
G298 (kcal/mol) = -10.49

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H10(282), C7H11(46); ! Estimated using average of templates [C/H3/Cs\OneNonDe;Y_1centerbirad] + [C/H3/Cs\H2\Cs;Y_rad_birad_trirad_quadrad] for rate rule ! [C/H3/Cs\H2\Cs;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H10(282)+C7H12(299)=C7H11(46)+C7H11(46) 3.272096e+01 3.489 4.580

1914.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.4	+3.5	+4.5	+5.2

Arrhenius(A=(1.806e-09,'m^3/(mol*s)'), n=4.34, Ea=(14.644,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -24.04
S298 (cal/mol*K) = -3.62
G298 (kcal/mol) = -22.96

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H11(46), C7H10(18); ! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H11(46)+C7H11(46)=C7H10(18)+C7H12(299) 1.806000e-03 4.340 3.500

1915.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+3.8	+4.9	+5.7

H298 (kcal/mol) = -7.90
S298 (cal/mol*K) = 1.61
G298 (kcal/mol) = -8.38

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H10(95), C7H11(46); ! Estimated using an average for rate rule [C/H3/Cs\H2\Cs;Cd_rad/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H10(95)+C7H12(299)=C7H11(46)+C7H11(46) 9.330000e-05 4.870 3.500

1916.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.4	+2.1	+3.5	+4.4

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H11(46), C7H10(96); ! Estimated using an average for rate rule [Cd/H/Cd;C_rad/H2/Cs] ! Euclidian distance = 0 ! family: H_Abstraction C7H11(46)+C7H11(46)=C7H10(96)+C7H12(299) 1.480000e-03 4.340 9.700

1917.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.4	+2.1	+3.5	+4.4

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H11(46), C7H10(97); ! Estimated using an average for rate rule [Cd/H/Cd;C_rad/H2/Cs] ! Euclidian distance = 0 ! family: H_Abstraction C7H11(46)+C7H11(46)=C7H10(97)+C7H12(299) 1.480000e-03 4.340 9.700

1918.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+3.8	+4.9	+5.7

H298 (kcal/mol) = -10.10
S298 (cal/mol*K) = 2.03
G298 (kcal/mol) = -10.70

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H10(37), C7H11(46); ! Estimated using template [C/H3/Cs\H2\Cs;Cd_rad] for rate rule [C/H3/Cs\H2\Cs;Cd_pri_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H10(37)+C7H12(299)=C7H11(46)+C7H11(46) 9.330000e-05 4.870 3.500

1919.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.5	+6.5	+6.5	+6.5

H298 (kcal/mol) = -68.76
S298 (cal/mol*K) = -11.51
G298 (kcal/mol) = -65.33

! Template reaction: Disproportionation ! Flux pairs: C7H11(40), C7H10(65); C7H11(46), C7H12(299); ! From training reaction 21 used for C_rad/H2/Cs;C/H2/Nd_Csrad ! Exact match found for rate rule [C_rad/H2/Cs;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(46)+C7H11(40)=C7H10(65)+C7H12(299) 2.900000e+12 0.000 0.000

1920.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.5	+6.5	+6.5	+6.5

Arrhenius(A=(2.9e+12,'cm^3/(mol*s)','*|/',1.4), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H2/Cs;Cpri_Rrad] for rate rule [C_rad/H2/Cs;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -70.72
S298 (cal/mol*K) = -31.37
G298 (kcal/mol) = -61.37

! Template reaction: Disproportionation ! Flux pairs: C7H11(40), C7H10(1); C7H11(46), C7H12(299); ! Estimated using template [C_rad/H2/Cs;Cpri_Rrad] for rate rule [C_rad/H2/Cs;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H11(46)+C7H11(40)=C7H10(1)+C7H12(299) 2.900000e+12 0.000 0.000

1922.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.9	+6.9	+6.9

H298 (kcal/mol) = -66.16
S298 (cal/mol*K) = -3.95
G298 (kcal/mol) = -64.99

! Template reaction: Disproportionation ! Flux pairs: C7H10(282), C7H11(40); C7H12(294), C7H11(46); ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H10(282)=C7H11(46)+C7H11(40) 7.240000e+12 0.000 0.000

1923.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.9	+6.9	+6.9	+6.9

H298 (kcal/mol) = -66.16
S298 (cal/mol*K) = -3.95
G298 (kcal/mol) = -64.99

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_1centerbirad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(282)+C7H12(300)=C7H11(46)+C7H11(40) 7.240000e+12 0.000 0.000

1924.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.7	+6.6	+6.6

H298 (kcal/mol) = -32.45
S298 (cal/mol*K) = -1.14
G298 (kcal/mol) = -32.11

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H10(89)=C7H11(46)+C7H11(40) 4.600000e+13 -0.320 0.000

1925.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.7	+6.6	+6.6

H298 (kcal/mol) = -32.45
S298 (cal/mol*K) = -1.14
G298 (kcal/mol) = -32.11

! Template reaction: Disproportionation ! From training reaction 20 used for Y_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Y_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(89)+C7H12(300)=C7H11(46)+C7H11(40) 4.600000e+13 -0.320 0.000

1926.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -33.02
S298 (cal/mol*K) = -4.98
G298 (kcal/mol) = -31.54

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(18)+C7H12(294)=C7H11(46)+C7H11(40) 3.052000e+12 0.000 -0.550

1927.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.6	+6.6	+6.5

Arrhenius(A=(3.052e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -33.02
S298 (cal/mol*K) = -4.98
G298 (kcal/mol) = -31.54

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(18)+C7H12(300)=C7H11(46)+C7H11(40) 3.052000e+12 0.000 -0.550

1928.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.96
S298 (cal/mol*K) = -6.99
G298 (kcal/mol) = -62.88

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H10(95)=C7H11(46)+C7H11(40) 4.840000e+12 0.000 0.000

1929.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -64.96
S298 (cal/mol*K) = -6.99
G298 (kcal/mol) = -62.88

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(95)+C7H12(300)=C7H11(46)+C7H11(40) 4.840000e+12 0.000 0.000

1930.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -55.76
S298 (cal/mol*K) = -5.89
G298 (kcal/mol) = -54.01

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H10(96)=C7H11(46)+C7H11(40) 4.840000e+12 0.000 0.000

1931.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -55.76
S298 (cal/mol*K) = -5.89
G298 (kcal/mol) = -54.01

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(96)+C7H12(300)=C7H11(46)+C7H11(40) 4.840000e+12 0.000 0.000

1932.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -55.76
S298 (cal/mol*K) = -5.89
G298 (kcal/mol) = -54.01

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H10(97)=C7H11(46)+C7H11(40) 4.840000e+12 0.000 0.000

1933.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -55.76
S298 (cal/mol*K) = -5.89
G298 (kcal/mol) = -54.01

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(97)+C7H12(300)=C7H11(46)+C7H11(40) 4.840000e+12 0.000 0.000

1934.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

H298 (kcal/mol) = -67.16
S298 (cal/mol*K) = -6.57
G298 (kcal/mol) = -65.21

! Template reaction: Disproportionation ! From training reaction 29 used for Cd_pri_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Cd_pri_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(294)+C7H10(37)=C7H11(46)+C7H11(40) 4.840000e+12 0.000 0.000

1935.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

H298 (kcal/mol) = -67.16
S298 (cal/mol*K) = -6.57
G298 (kcal/mol) = -65.21

! Template reaction: Disproportionation ! From training reaction 29 used for Cd_pri_rad;C/H2/Nd_Csrad ! Exact match found for rate rule [Cd_pri_rad;C/H2/Nd_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H10(37)+C7H12(300)=C7H11(46)+C7H11(40) 4.840000e+12 0.000 0.000

1936.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.6	+6.7	+6.8

H298 (kcal/mol) = -70.48
S298 (cal/mol*K) = 0.03
G298 (kcal/mol) = -70.49

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;C/H2/Nd_Csrad/H/Cd] + [Y_1centerbirad;C/H2/Nd_Csrad] for rate rule ! [Y_1centerbirad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(288)=C7H11(46)+C7H11(40) 6.828294e+10 0.595 0.255

1937.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

H298 (kcal/mol) = -56.08
S298 (cal/mol*K) = -8.39
G298 (kcal/mol) = -53.58

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(295)+C7H10(31)=C7H11(46)+C7H11(40) 2.052000e+14 -0.350 0.000

1938.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

Arrhenius(A=(1.526e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -43.23
S298 (cal/mol*K) = -1.06
G298 (kcal/mol) = -42.92

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;C/H2/Nd_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(28)=C7H11(46)+C7H11(40) 1.526000e+12 0.000 -0.550

1939.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.1	+6.6	+6.8	+7.0

H298 (kcal/mol) = -56.08
S298 (cal/mol*K) = -9.77
G298 (kcal/mol) = -53.17

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(35)=C7H11(46)+C7H11(40) 1.288000e+09 1.190 0.510

1940.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.9	+7.1	+7.3

H298 (kcal/mol) = -30.38
S298 (cal/mol*K) = 9.03
G298 (kcal/mol) = -33.07

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(295)+C7H10(33)=C7H11(46)+C7H11(40) 2.576000e+09 1.190 0.510

1941.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -66.63
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -64.64

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(30)=C7H11(46)+C7H11(40) 2.420000e+12 0.000 0.000

1942.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -66.63
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -64.64

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(295)+C7H10(29)=C7H11(46)+C7H11(40) 2.420000e+12 0.000 0.000

1943.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -83.67
S298 (cal/mol*K) = -6.08
G298 (kcal/mol) = -81.86

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(288)=C7H11(46)+C7H11(40) 2.000000e+10 0.000 0.000

1944.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

Arrhenius(A=(2.052e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -69.27
S298 (cal/mol*K) = -14.50
G298 (kcal/mol) = -64.95

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(296)+C7H10(31)=C7H11(46)+C7H11(40) 2.052000e+14 -0.350 0.000

1945.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

H298 (kcal/mol) = -56.42
S298 (cal/mol*K) = -7.17
G298 (kcal/mol) = -54.29

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(28)=C7H11(46)+C7H11(40) 1.526000e+12 0.000 -0.550

1946.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -69.27
S298 (cal/mol*K) = -15.88
G298 (kcal/mol) = -64.54

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(35)=C7H11(46)+C7H11(40) 2.000000e+10 0.000 0.000

1947.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.6	+4.6	+4.6	+4.6

H298 (kcal/mol) = -43.57
S298 (cal/mol*K) = 2.92
G298 (kcal/mol) = -44.44

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(296)+C7H10(33)=C7H11(46)+C7H11(40) 4.000000e+10 0.000 0.000

1948.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.82
S298 (cal/mol*K) = -12.79
G298 (kcal/mol) = -76.01

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(30)=C7H11(46)+C7H11(40) 2.420000e+12 0.000 0.000

1949.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.82
S298 (cal/mol*K) = -12.79
G298 (kcal/mol) = -76.01

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(296)+C7H10(29)=C7H11(46)+C7H11(40) 2.420000e+12 0.000 0.000

1950.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

H298 (kcal/mol) = -83.55
S298 (cal/mol*K) = -4.14
G298 (kcal/mol) = -82.32

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_1centerbirad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(288)=C7H11(46)+C7H11(40) 2.000000e+10 0.000 0.000

1951.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

Arrhenius(A=(2.052e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -69.15
S298 (cal/mol*K) = -12.57
G298 (kcal/mol) = -65.41

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(297)+C7H10(31)=C7H11(46)+C7H11(40) 2.052000e+14 -0.350 0.000

1952.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.3	+6.3	+6.2

H298 (kcal/mol) = -56.30
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -54.74

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/OneDeC;Cpri_Rrad] for rate rule [C_rad/H/OneDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(28)=C7H11(46)+C7H11(40) 1.526000e+12 0.000 -0.550

1953.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.3	+4.3	+4.3	+4.3

Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -69.15
S298 (cal/mol*K) = -13.94
G298 (kcal/mol) = -65.00

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(35)=C7H11(46)+C7H11(40) 2.000000e+10 0.000 0.000

1954.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.6	+4.6	+4.6	+4.6

H298 (kcal/mol) = -43.45
S298 (cal/mol*K) = 4.85
G298 (kcal/mol) = -44.90

! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Cd_Csrad] for rate rule [Y_rad;C/H2/Cd_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H12(297)+C7H10(33)=C7H11(46)+C7H11(40) 4.000000e+10 0.000 0.000

1955.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.70
S298 (cal/mol*K) = -10.85
G298 (kcal/mol) = -76.47

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(30)=C7H11(46)+C7H11(40) 2.420000e+12 0.000 0.000

1956.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

H298 (kcal/mol) = -79.70
S298 (cal/mol*K) = -10.85
G298 (kcal/mol) = -76.47

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H12(297)+C7H10(29)=C7H11(46)+C7H11(40) 2.420000e+12 0.000 0.000

1957.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+4.7	+5.9	+6.3	+6.5

H298 (kcal/mol) = -67.88
S298 (cal/mol*K) = 3.46
G298 (kcal/mol) = -68.92

! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;Cmethyl_Csrad/H/Cd] + [Y_1centerbirad;Cmethyl_Csrad] for rate rule ! [Y_1centerbirad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(288)=C7H11(46)+C7H11(40) 1.276238e+13 0.000 5.500

1958.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.3	+6.2	+6.2	+6.1

Arrhenius(A=(1.94885e+07,'m^3/(mol*s)'), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), comment="""Estimated using average of templates [C_sec_rad;Cmethyl_Csrad/H/Cd] + [C_rad/H/NonDeC;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeC;Cmethyl_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 6.0 family: Disproportionation""")

H298 (kcal/mol) = -53.48
S298 (cal/mol*K) = -4.96
G298 (kcal/mol) = -52.01

! Template reaction: Disproportionation ! Estimated using average of templates [C_sec_rad;Cmethyl_Csrad/H/Cd] + [C_rad/H/NonDeC;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 6.0 ! family: Disproportionation C7H12(298)+C7H10(31)=C7H11(46)+C7H11(40) 1.948846e+13 -0.350 0.000

1959.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.2	+5.2	+5.2	+5.2

H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = 2.37
G298 (kcal/mol) = -41.34

! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;Cmethyl_Csrad/H/Cd] for rate rule [C_rad/H/OneDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(28)=C7H11(46)+C7H11(40) 1.500000e+11 0.000 0.000

1960.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.2	+5.2	+5.2	+5.2

H298 (kcal/mol) = -53.48
S298 (cal/mol*K) = -6.34
G298 (kcal/mol) = -51.60

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(35)=C7H11(46)+C7H11(40) 1.500000e+11 0.000 0.000

1961.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.5	+5.5	+5.5	+5.5

H298 (kcal/mol) = -27.78
S298 (cal/mol*K) = 12.46
G298 (kcal/mol) = -31.50

! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 6.0 ! family: Disproportionation C7H12(298)+C7H10(33)=C7H11(46)+C7H11(40) 3.000000e+11 0.000 0.000

1962.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

H298 (kcal/mol) = -64.03
S298 (cal/mol*K) = -3.25
G298 (kcal/mol) = -63.07

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(30)=C7H11(46)+C7H11(40) 4.560000e+14 -0.700 0.000

1963.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.8	+6.6	+6.4	+6.3

H298 (kcal/mol) = -64.03
S298 (cal/mol*K) = -3.25
G298 (kcal/mol) = -63.07

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeC;Cmethyl_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C7H12(298)+C7H10(29)=C7H11(46)+C7H11(40) 4.560000e+14 -0.700 0.000

1964.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.0	+3.6	+5.1	+5.9

H298 (kcal/mol) = -11.75
S298 (cal/mol*K) = 7.51
G298 (kcal/mol) = -13.99

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(40); C7H10(282), C7H11(46); ! Estimated using an average for rate rule [C/H2/NonDeC;Y_1centerbirad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H10(282)=C7H11(46)+C7H11(40) 2.102974e+02 3.319 12.163

1966.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+2.9	+4.7	+5.6	+6.2

H298 (kcal/mol) = -10.55
S298 (cal/mol*K) = 4.47
G298 (kcal/mol) = -11.88

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(40); C7H10(95), C7H11(46); ! Estimated using an average for rate rule [C/H2/NonDeC;Cd_rad/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H10(95)=C7H11(46)+C7H11(40) 1.924128e-02 4.290 2.113

1967.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.2	+3.1	+4.5	+5.4

H298 (kcal/mol) = -1.35
S298 (cal/mol*K) = 5.57
G298 (kcal/mol) = -3.01

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(40); C7H10(96), C7H11(46); ! Estimated using an average for rate rule [C/H2/NonDeC;Cd_rad/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H10(96)=C7H11(46)+C7H11(40) 1.767132e-02 4.290 9.288

1968.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.2	+3.1	+4.5	+5.4

H298 (kcal/mol) = -1.35
S298 (cal/mol*K) = 5.57
G298 (kcal/mol) = -3.01

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(40); C7H10(97), C7H11(46); ! Estimated using an average for rate rule [C/H2/NonDeC;Cd_rad/Cd] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H10(97)=C7H11(46)+C7H11(40) 1.767132e-02 4.290 9.288

1969.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+2.5	+4.8	+5.8	+6.5

Arrhenius(A=(9.17625e-06,'m^3/(mol*s)'), n=3.67, Ea=(22.374,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule [C/H2/NonDeC;Cd_pri_rad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: H_Abstraction""")

H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = 4.89
G298 (kcal/mol) = -14.21

! Template reaction: H_Abstraction ! Flux pairs: C7H12(16), C7H11(40); C7H10(37), C7H11(46); ! Estimated using an average for rate rule [C/H2/NonDeC;Cd_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C7H12(16)+C7H10(37)=C7H11(46)+C7H11(40) 9.176248e+00 3.670 5.348

1970.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+2.9	+5.0	+5.9	+6.5

H298 (kcal/mol) = -11.75
S298 (cal/mol*K) = 8.32
G298 (kcal/mol) = -14.23

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H10(288), C7H11(40); ! Estimated using average of templates [C/H3/Cs\OneNonDe;Y_1centerbirad] + [C/H3/Cs\H2\Cs;Y_rad_birad_trirad_quadrad] for rate rule ! [C/H3/Cs\H2\Cs;Y_1centerbirad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H10(288)+C7H12(299)=C7H11(46)+C7H11(40) 3.272096e+01 3.489 4.580

1971.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.4	+2.6	+3.9	+4.7

H298 (kcal/mol) = -2.65
S298 (cal/mol*K) = 0.11
G298 (kcal/mol) = -2.68

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H11(40), C7H10(31); ! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H11(46)+C7H11(40)=C7H10(31)+C7H12(299) 2.163867e-03 4.290 7.536

1972.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.4	+3.5	+4.5	+5.2

H298 (kcal/mol) = -15.50
S298 (cal/mol*K) = -7.23
G298 (kcal/mol) = -13.35

! Template reaction: H_Abstraction ! Flux pairs: C7H11(46), C7H12(299); C7H11(40), C7H10(28); ! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H11(46)+C7H11(40)=C7H10(28)+C7H12(299) 1.806000e-03 4.340 3.500

1973.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+3.8	+4.9	+5.7

H298 (kcal/mol) = -7.90
S298 (cal/mol*K) = 1.61
G298 (kcal/mol) = -8.38

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H10(30), C7H11(40); ! Estimated using an average for rate rule [C/H3/Cs\H2\Cs;Cd_rad/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H10(30)+C7H12(299)=C7H11(46)+C7H11(40) 9.330000e-05 4.870 3.500

1974.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.6	+3.8	+4.9	+5.7

H298 (kcal/mol) = -7.90
S298 (cal/mol*K) = 1.61
G298 (kcal/mol) = -8.38

! Template reaction: H_Abstraction ! Flux pairs: C7H12(299), C7H11(46); C7H10(29), C7H11(40); ! Estimated using an average for rate rule [C/H3/Cs\H2\Cs;Cd_rad/NonDeC] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C7H10(29)+C7H12(299)=C7H11(46)+C7H11(40) 9.330000e-05 4.870 3.500

1975.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.5	+8.5	+9.1	+9.2
log₁₀(k(10 bar)/[mole,m,s])	+5.5	+8.6	+9.5	+9.8

Chebyshev(coeffs=[[5.478,0.402163,-0.1303,0.0166338],[3.90999,0.568443,-0.131364,-0.0175697],[-0.269367,0.341211,-0.0456242,-0.0274252],[-0.146832,0.157291,0.00549502,-0.0214628],[-0.0561461,0.0376595,0.0283261,-0.0125947],[-0.0143607,-0.00639529,0.023562,-0.00291915]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.51
S298 (cal/mol*K) = -9.04
G298 (kcal/mol) = -1.82

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(269); C7H11(46)(+M)=>C7H11(269)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.478e+00 4.022e-01 -1.303e-01 1.663e-02 / CHEB/ 3.910e+00 5.684e-01 -1.314e-01 -1.757e-02 / CHEB/ -2.694e-01 3.412e-01 -4.562e-02 -2.743e-02 / CHEB/ -1.468e-01 1.573e-01 5.495e-03 -2.146e-02 / CHEB/ -5.615e-02 3.766e-02 2.833e-02 -1.259e-02 / CHEB/ -1.436e-02 -6.395e-03 2.356e-02 -2.919e-03 /

1976.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+3.7	+6.2	+7.3
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+4.1	+6.8	+8.1

Chebyshev(coeffs=[[-4.23042,0.838811,-0.27885,0.0281155],[11.5934,0.448514,0.00860186,-0.0596374],[-0.105987,0.266913,0.0243835,-0.0330286],[-0.100447,0.125466,0.0255739,-0.0121789],[-0.0265484,0.00797868,0.0271076,0.00322053],[-0.00120629,-0.0177825,0.0147284,0.00653295]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.65
S298 (cal/mol*K) = 1.71
G298 (kcal/mol) = -3.16

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(270); C7H11(46)(+M)=>C7H11(270)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.230e+00 8.388e-01 -2.789e-01 2.812e-02 / CHEB/ 1.159e+01 4.485e-01 8.602e-03 -5.964e-02 / CHEB/ -1.060e-01 2.669e-01 2.438e-02 -3.303e-02 / CHEB/ -1.004e-01 1.255e-01 2.557e-02 -1.218e-02 / CHEB/ -2.655e-02 7.979e-03 2.711e-02 3.221e-03 / CHEB/ -1.206e-03 -1.778e-02 1.473e-02 6.533e-03 /

1977.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+5.7	+7.5	+8.2
log₁₀(k(10 bar)/[mole,m,s])	-0.5	+6.0	+8.1	+9.0

Chebyshev(coeffs=[[-0.245207,0.656687,-0.226441,0.0359149],[8.53092,0.539807,-0.0509524,-0.0559675],[-0.106618,0.295968,0.00543448,-0.0365286],[-0.0993747,0.13178,0.0227122,-0.015351],[-0.0292931,0.0136214,0.031442,-0.0020275],[-0.00241466,-0.0156789,0.0188779,0.00421042]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.04
S298 (cal/mol*K) = -3.62
G298 (kcal/mol) = -22.96

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(271); C7H11(46)(+M)=>C7H11(271)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.452e-01 6.567e-01 -2.264e-01 3.591e-02 / CHEB/ 8.531e+00 5.398e-01 -5.095e-02 -5.597e-02 / CHEB/ -1.066e-01 2.960e-01 5.434e-03 -3.653e-02 / CHEB/ -9.937e-02 1.318e-01 2.271e-02 -1.535e-02 / CHEB/ -2.929e-02 1.362e-02 3.144e-02 -2.028e-03 / CHEB/ -2.415e-03 -1.568e-02 1.888e-02 4.210e-03 /

1978.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+7.2	+8.4	+8.9
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+7.4	+8.9	+9.6

Chebyshev(coeffs=[[2.80947,0.514739,-0.171007,0.0265441],[6.09934,0.592244,-0.103679,-0.0363925],[-0.109842,0.325909,-0.0171014,-0.0353495],[-0.0975721,0.140253,0.0193162,-0.0194538],[-0.0333061,0.0215104,0.0332564,-0.00732274],[-0.00493532,-0.0129796,0.0220107,0.00153114]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.90
S298 (cal/mol*K) = -1.61
G298 (kcal/mol) = 8.38

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(272); C7H11(46)(+M)=>C7H11(272)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.809e+00 5.147e-01 -1.710e-01 2.654e-02 / CHEB/ 6.099e+00 5.922e-01 -1.037e-01 -3.639e-02 / CHEB/ -1.098e-01 3.259e-01 -1.710e-02 -3.535e-02 / CHEB/ -9.757e-02 1.403e-01 1.932e-02 -1.945e-02 / CHEB/ -3.331e-02 2.151e-02 3.326e-02 -7.323e-03 / CHEB/ -4.935e-03 -1.298e-02 2.201e-02 1.531e-03 /

1979.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+6.7	+7.7	+8.0
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+6.9	+8.2	+8.7

Chebyshev(coeffs=[[2.92486,0.468177,-0.154232,0.022716],[5.21227,0.587539,-0.116844,-0.0287196],[-0.181321,0.333496,-0.0284485,-0.0328155],[-0.118167,0.146395,0.0146749,-0.0207048],[-0.0425611,0.0268857,0.0321354,-0.00963676],[-0.00882466,-0.0109382,0.022937,-0.00013371]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(273); C7H11(46)(+M)=>C7H11(273)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.925e+00 4.682e-01 -1.542e-01 2.272e-02 / CHEB/ 5.212e+00 5.875e-01 -1.168e-01 -2.872e-02 / CHEB/ -1.813e-01 3.335e-01 -2.845e-02 -3.282e-02 / CHEB/ -1.182e-01 1.464e-01 1.467e-02 -2.070e-02 / CHEB/ -4.256e-02 2.689e-02 3.214e-02 -9.637e-03 / CHEB/ -8.825e-03 -1.094e-02 2.294e-02 -1.337e-04 /

1980.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.9	+5.5	+6.7	+7.2
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+5.7	+7.2	+7.9

Chebyshev(coeffs=[[1.01426,0.521471,-0.17462,0.0276154],[6.23276,0.586882,-0.100577,-0.0377345],[-0.130777,0.32378,-0.0164014,-0.0353895],[-0.102197,0.139637,0.0191929,-0.0192753],[-0.0351229,0.0212614,0.0330043,-0.00713877],[-0.00600168,-0.012841,0.0217582,0.00160038]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(274); C7H11(46)(+M)=>C7H11(274)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.014e+00 5.215e-01 -1.746e-01 2.762e-02 / CHEB/ 6.233e+00 5.869e-01 -1.006e-01 -3.773e-02 / CHEB/ -1.308e-01 3.238e-01 -1.640e-02 -3.539e-02 / CHEB/ -1.022e-01 1.396e-01 1.919e-02 -1.928e-02 / CHEB/ -3.512e-02 2.126e-02 3.300e-02 -7.139e-03 / CHEB/ -6.002e-03 -1.284e-02 2.176e-02 1.600e-03 /

1981.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	+1.1	+4.2	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-8.6	+1.5	+4.8	+6.5

Chebyshev(coeffs=[[-8.23423,0.952252,-0.296267,0.0150046],[13.7753,0.407748,0.0368307,-0.0537642],[0.00674257,0.25087,0.0367567,-0.0289875],[-0.070403,0.120266,0.0289463,-0.00966228],[-0.0147657,0.00433085,0.0242063,0.00614045],[0.00372438,-0.0195592,0.0117728,0.00783859]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.10
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = 10.70

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(275); C7H11(46)(+M)=>C7H11(275)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.234e+00 9.523e-01 -2.963e-01 1.500e-02 / CHEB/ 1.378e+01 4.077e-01 3.683e-02 -5.376e-02 / CHEB/ 6.743e-03 2.509e-01 3.676e-02 -2.899e-02 / CHEB/ -7.040e-02 1.203e-01 2.895e-02 -9.662e-03 / CHEB/ -1.477e-02 4.331e-03 2.421e-02 6.140e-03 / CHEB/ 3.724e-03 -1.956e-02 1.177e-02 7.839e-03 /

1982.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.8	-5.7	+0.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-26.2	-5.0	+1.5	+4.6

Chebyshev(coeffs=[[-25.7555,1.52392,-0.241178,-0.0638345],[30.0695,0.128759,0.0579301,0.00709688],[-0.484425,0.146042,0.0581211,0.0011713],[-0.22692,0.0832795,0.0347544,0.00256869],[-0.0541599,-0.00495371,0.00467912,0.00687],[-0.00471203,-0.0205349,-0.00304653,0.00515486]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 100.32
S298 (cal/mol*K) = 41.50
G298 (kcal/mol) = 87.96

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C3H6(276); C7H11(46), C4H5(99); C7H11(46)(+M)=>C3H6(276)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.576e+01 1.524e+00 -2.412e-01 -6.383e-02 / CHEB/ 3.007e+01 1.288e-01 5.793e-02 7.097e-03 / CHEB/ -4.844e-01 1.460e-01 5.812e-02 1.171e-03 / CHEB/ -2.269e-01 8.328e-02 3.475e-02 2.569e-03 / CHEB/ -5.416e-02 -4.954e-03 4.679e-03 6.870e-03 / CHEB/ -4.712e-03 -2.053e-02 -3.047e-03 5.155e-03 /

1983.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.0	-3.5	+1.5	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-19.6	-3.0	+2.3	+4.8

Chebyshev(coeffs=[[-19.1845,1.32569,-0.291302,-0.042692],[23.4204,0.206084,0.0683923,-0.0105168],[-0.282791,0.185966,0.0556708,-0.0117663],[-0.121043,0.100949,0.0338263,-0.00327015],[-0.0331009,-0.00128813,0.01098,0.00828442],[-0.0157313,-0.0205284,0.00198625,0.00746217]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.49
S298 (cal/mol*K) = 23.38
G298 (kcal/mol) = 69.52

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(89); C7H11(46)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.918e+01 1.326e+00 -2.913e-01 -4.269e-02 / CHEB/ 2.342e+01 2.061e-01 6.839e-02 -1.052e-02 / CHEB/ -2.828e-01 1.860e-01 5.567e-02 -1.177e-02 / CHEB/ -1.210e-01 1.009e-01 3.383e-02 -3.270e-03 / CHEB/ -3.310e-02 -1.288e-03 1.098e-02 8.284e-03 / CHEB/ -1.573e-02 -2.053e-02 1.986e-03 7.462e-03 /

1984.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.6	-10.1	-2.7	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-33.0	-9.3	-1.8	+1.8

Chebyshev(coeffs=[[-32.1481,1.57195,-0.224734,-0.0663165],[33.4125,0.111462,0.0533956,0.00986212],[-0.258934,0.135337,0.057259,0.00428767],[-0.162399,0.0780564,0.0342814,0.00403651],[-0.0313872,-0.00572739,0.00324607,0.00611666],[0.00383846,-0.0202459,-0.00411074,0.00427824]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(95); C7H11(46)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.215e+01 1.572e+00 -2.247e-01 -6.632e-02 / CHEB/ 3.341e+01 1.115e-01 5.340e-02 9.862e-03 / CHEB/ -2.589e-01 1.353e-01 5.726e-02 4.288e-03 / CHEB/ -1.624e-01 7.806e-02 3.428e-02 4.037e-03 / CHEB/ -3.139e-02 -5.727e-03 3.246e-03 6.117e-03 / CHEB/ 3.838e-03 -2.025e-02 -4.111e-03 4.278e-03 /

1985.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.1	-8.0	-0.3	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-32.4	-7.3	+0.6	+4.3

Chebyshev(coeffs=[[-31.5572,1.62509,-0.204626,-0.0674052],[35.5489,0.0924773,0.0473428,0.0119091],[-0.421765,0.12281,0.0554632,0.00751079],[-0.211253,0.0717196,0.0333046,0.00558128],[-0.0466761,-0.00640079,0.0017336,0.00508388],[-0.00111997,-0.0196755,-0.00515574,0.00317501]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 117.15
S298 (cal/mol*K) = 45.24
G298 (kcal/mol) = 103.67

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C5H8(277); C7H11(46), C2H3(100); C7H11(46)(+M)=>C5H8(277)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.156e+01 1.625e+00 -2.046e-01 -6.741e-02 / CHEB/ 3.555e+01 9.248e-02 4.734e-02 1.191e-02 / CHEB/ -4.218e-01 1.228e-01 5.546e-02 7.511e-03 / CHEB/ -2.113e-01 7.172e-02 3.330e-02 5.581e-03 / CHEB/ -4.668e-02 -6.401e-03 1.734e-03 5.084e-03 / CHEB/ -1.120e-03 -1.968e-02 -5.156e-03 3.175e-03 /

1986.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.8	-7.1	-0.2	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-6.4	+0.6	+4.0

Chebyshev(coeffs=[[-27.4762,1.51739,-0.243285,-0.0633996],[30.8625,0.131139,0.0584853,0.00666252],[-0.243417,0.147442,0.058183,0.000741089],[-0.155742,0.0839609,0.0347938,0.00236658],[-0.0307642,-0.00484216,0.00487616,0.0069585],[0.00341996,-0.0205618,-0.00289574,0.00526404]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.80
S298 (cal/mol*K) = 28.13
G298 (kcal/mol) = 91.42

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(96); C7H11(46)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.748e+01 1.517e+00 -2.433e-01 -6.340e-02 / CHEB/ 3.086e+01 1.311e-01 5.849e-02 6.663e-03 / CHEB/ -2.434e-01 1.474e-01 5.818e-02 7.411e-04 / CHEB/ -1.557e-01 8.396e-02 3.479e-02 2.367e-03 / CHEB/ -3.076e-02 -4.842e-03 4.876e-03 6.959e-03 / CHEB/ 3.420e-03 -2.056e-02 -2.896e-03 5.264e-03 /

1987.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.8	-7.1	-0.2	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-6.4	+0.6	+4.0

H298 (kcal/mol) = 99.80
S298 (cal/mol*K) = 28.13
G298 (kcal/mol) = 91.42

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(97); C7H11(46)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.748e+01 1.517e+00 -2.433e-01 -6.340e-02 / CHEB/ 3.086e+01 1.311e-01 5.849e-02 6.663e-03 / CHEB/ -2.434e-01 1.474e-01 5.818e-02 7.411e-04 / CHEB/ -1.557e-01 8.396e-02 3.479e-02 2.367e-03 / CHEB/ -3.076e-02 -4.842e-03 4.876e-03 6.959e-03 / CHEB/ 3.420e-03 -2.056e-02 -2.896e-03 5.264e-03 /

1988.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.6	-9.6	-1.9	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-33.0	-8.8	-1.1	+2.7

Chebyshev(coeffs=[[-32.0687,1.58431,-0.220237,-0.0667357],[34.1428,0.106989,0.0520705,0.0104424],[-0.238835,0.132544,0.0569413,0.00505957],[-0.156216,0.0766151,0.0340906,0.00440601],[-0.0293354,-0.00589658,0.00288926,0.00589441],[0.00467755,-0.0201345,-0.00436551,0.00403346]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.20
S298 (cal/mol*K) = 28.81
G298 (kcal/mol) = 102.61

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(37); C7H11(46)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.207e+01 1.584e+00 -2.202e-01 -6.674e-02 / CHEB/ 3.414e+01 1.070e-01 5.207e-02 1.044e-02 / CHEB/ -2.388e-01 1.325e-01 5.694e-02 5.060e-03 / CHEB/ -1.562e-01 7.662e-02 3.409e-02 4.406e-03 / CHEB/ -2.934e-02 -5.897e-03 2.889e-03 5.894e-03 / CHEB/ 4.678e-03 -2.013e-02 -4.366e-03 4.033e-03 /

1989.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.2	+6.9	+7.8	+7.9
log₁₀(k(10 bar)/[mole,m,s])	+3.2	+7.1	+8.2	+8.7

Chebyshev(coeffs=[[3.20729,0.45113,-0.151331,0.0229483],[4.98016,0.569725,-0.118226,-0.0266365],[-0.270131,0.331676,-0.0343172,-0.0310254],[-0.144547,0.149178,0.0105611,-0.0208205],[-0.0522394,0.0302582,0.0303466,-0.0107389],[-0.0126061,-0.00900953,0.0228192,-0.00121988]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.22
S298 (cal/mol*K) = -5.89
G298 (kcal/mol) = -9.46

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(278); C7H11(46)(+M)=>C7H11(278)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.207e+00 4.511e-01 -1.513e-01 2.295e-02 / CHEB/ 4.980e+00 5.697e-01 -1.182e-01 -2.664e-02 / CHEB/ -2.701e-01 3.317e-01 -3.432e-02 -3.103e-02 / CHEB/ -1.445e-01 1.492e-01 1.056e-02 -2.082e-02 / CHEB/ -5.224e-02 3.026e-02 3.035e-02 -1.074e-02 / CHEB/ -1.261e-02 -9.010e-03 2.282e-02 -1.220e-03 /

1990.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	+2.4	+5.3	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-7.2	+2.8	+5.9	+7.4

Chebyshev(coeffs=[[-7.01804,0.955518,-0.300886,0.01395],[13.7646,0.377358,0.036365,-0.0507307],[-0.174284,0.248667,0.0327845,-0.029917],[-0.122768,0.121884,0.0267445,-0.0109551],[-0.0315879,0.00597715,0.0234142,0.00526999],[-0.00229606,-0.0183432,0.0119603,0.00728562]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.94
S298 (cal/mol*K) = -0.83
G298 (kcal/mol) = -2.69

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(279); C7H11(46)(+M)=>C7H11(279)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.018e+00 9.555e-01 -3.009e-01 1.395e-02 / CHEB/ 1.376e+01 3.774e-01 3.636e-02 -5.073e-02 / CHEB/ -1.743e-01 2.487e-01 3.278e-02 -2.992e-02 / CHEB/ -1.228e-01 1.219e-01 2.674e-02 -1.096e-02 / CHEB/ -3.159e-02 5.977e-03 2.341e-02 5.270e-03 / CHEB/ -2.296e-03 -1.834e-02 1.196e-02 7.286e-03 /

1991.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+5.2	+6.9	+7.5
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+5.5	+7.4	+8.3

Chebyshev(coeffs=[[-0.877273,0.665696,-0.235908,0.0379201],[8.64195,0.50263,-0.0433283,-0.0563054],[-0.271644,0.29078,0.00122567,-0.0358231],[-0.145281,0.133762,0.0190134,-0.0159102],[-0.0448388,0.0152172,0.029901,-0.00270494],[-0.00871234,-0.0145159,0.0187108,0.00349448]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.20
S298 (cal/mol*K) = -4.80
G298 (kcal/mol) = 13.63

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(280); C7H11(46)(+M)=>C7H11(280)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.773e-01 6.657e-01 -2.359e-01 3.792e-02 / CHEB/ 8.642e+00 5.026e-01 -4.333e-02 -5.631e-02 / CHEB/ -2.716e-01 2.908e-01 1.226e-03 -3.582e-02 / CHEB/ -1.453e-01 1.338e-01 1.901e-02 -1.591e-02 / CHEB/ -4.484e-02 1.522e-02 2.990e-02 -2.705e-03 / CHEB/ -8.712e-03 -1.452e-02 1.871e-02 3.494e-03 /

1992.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.5	-7.5	-0.3	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-29.8	-6.7	+0.6	+4.1

Chebyshev(coeffs=[[-29.0932,1.5631,-0.227887,-0.0659594],[32.6769,0.114602,0.0542839,0.00941397],[-0.323572,0.137393,0.0574827,0.00372058],[-0.180516,0.0790303,0.0343877,0.00377043],[-0.0378937,-0.00558715,0.00350953,0.00626883],[0.00140725,-0.0203058,-0.00391888,0.00444897]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.49
S298 (cal/mol*K) = 37.22
G298 (kcal/mol) = 87.40

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C6H9(281); C7H11(46), CH2(T)(82); C7H11(46)(+M)=>C6H9(281)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.909e+01 1.563e+00 -2.279e-01 -6.596e-02 / CHEB/ 3.268e+01 1.146e-01 5.428e-02 9.414e-03 / CHEB/ -3.236e-01 1.374e-01 5.748e-02 3.721e-03 / CHEB/ -1.805e-01 7.903e-02 3.439e-02 3.770e-03 / CHEB/ -3.789e-02 -5.587e-03 3.510e-03 6.269e-03 / CHEB/ 1.407e-03 -2.031e-02 -3.919e-03 4.449e-03 /

1993.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.1	-11.1	-3.5	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-34.5	-10.4	-2.6	+1.1

Chebyshev(coeffs=[[-33.4923,1.583,-0.220576,-0.0665277],[33.948,0.111221,0.0538398,0.0105368],[-0.149826,0.132656,0.0570973,0.00521315],[-0.173972,0.076604,0.0341685,0.0045136],[-0.0249492,-0.00623572,0.00283267,0.0059795],[0.0213033,-0.0204582,-0.00448918,0.00404035]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 110.20
S298 (cal/mol*K) = 26.19
G298 (kcal/mol) = 102.40

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(282); C7H11(46)(+M)=>H(25)+C7H10(282)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.349e+01 1.583e+00 -2.206e-01 -6.653e-02 / CHEB/ 3.395e+01 1.112e-01 5.384e-02 1.054e-02 / CHEB/ -1.498e-01 1.327e-01 5.710e-02 5.213e-03 / CHEB/ -1.740e-01 7.660e-02 3.417e-02 4.514e-03 / CHEB/ -2.495e-02 -6.236e-03 2.833e-03 5.980e-03 / CHEB/ 2.130e-02 -2.046e-02 -4.489e-03 4.040e-03 /

1994.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.1	-2.7	+2.6	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-21.1	-2.6	+3.0	+5.4

Chebyshev(coeffs=[[-20.0446,0.338255,-0.0786758,0.0145016],[25.71,0.545793,-0.097168,0.00690206],[-0.579162,0.319304,-0.0148715,-0.0137504],[-0.288475,0.137957,0.0272352,-0.0152364],[-0.14803,0.0478716,0.02567,-0.00535758],[-0.0789798,0.0203288,0.00870521,0.0022697]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.95
S298 (cal/mol*K) = 37.30
G298 (kcal/mol) = 75.84

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C3H5(98); C7H10(146), C4H5(99); C7H10(146)(+M)=>C3H5(98)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.004e+01 3.383e-01 -7.868e-02 1.450e-02 / CHEB/ 2.571e+01 5.458e-01 -9.717e-02 6.902e-03 / CHEB/ -5.792e-01 3.193e-01 -1.487e-02 -1.375e-02 / CHEB/ -2.885e-01 1.380e-01 2.724e-02 -1.524e-02 / CHEB/ -1.480e-01 4.787e-02 2.567e-02 -5.358e-03 / CHEB/ -7.898e-02 2.033e-02 8.705e-03 2.270e-03 /

1995.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.2	-2.0	+2.9	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-2.0	+3.2	+5.5

Chebyshev(coeffs=[[-16.9489,0.220841,-0.0500362,0.00877893],[22.3688,0.389683,-0.0781705,0.0102599],[-0.186133,0.27219,-0.0336567,-0.00249673],[-0.170593,0.152763,0.00236946,-0.00946342],[-0.11441,0.0715334,0.0155067,-0.00779207],[-0.0697126,0.03151,0.0116325,-0.00226337]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.80
S298 (cal/mol*K) = 21.88
G298 (kcal/mol) = 66.28

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(60); C7H10(146)(+M)=>H(25)+C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.695e+01 2.208e-01 -5.004e-02 8.779e-03 / CHEB/ 2.237e+01 3.897e-01 -7.817e-02 1.026e-02 / CHEB/ -1.861e-01 2.722e-01 -3.366e-02 -2.497e-03 / CHEB/ -1.706e-01 1.528e-01 2.369e-03 -9.463e-03 / CHEB/ -1.144e-01 7.153e-02 1.551e-02 -7.792e-03 / CHEB/ -6.971e-02 3.151e-02 1.163e-02 -2.263e-03 /

1996.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.8	-9.7	-2.7	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-32.8	-9.2	-2.0	+1.2

Chebyshev(coeffs=[[-31.4696,0.676243,-0.153177,0.0263152],[32.669,0.804302,-0.0546218,-0.0330914],[-0.545526,0.291803,0.061623,-0.0260224],[-0.242889,0.0389278,0.0547451,0.00191036],[-0.10699,-0.0120777,0.0151152,0.0101624],[-0.0588013,0.00373789,-0.00399211,0.00378756]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(101); C7H10(146)(+M)=>H(25)+C7H9(101)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.147e+01 6.762e-01 -1.532e-01 2.632e-02 / CHEB/ 3.267e+01 8.043e-01 -5.462e-02 -3.309e-02 / CHEB/ -5.455e-01 2.918e-01 6.162e-02 -2.602e-02 / CHEB/ -2.429e-01 3.893e-02 5.475e-02 1.910e-03 / CHEB/ -1.070e-01 -1.208e-02 1.512e-02 1.016e-02 / CHEB/ -5.880e-02 3.738e-03 -3.992e-03 3.788e-03 /

1997.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.8	-9.7	-2.7	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-32.8	-9.2	-2.0	+1.2

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(102); C7H10(146)(+M)=>H(25)+C7H9(102)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.147e+01 6.762e-01 -1.532e-01 2.632e-02 / CHEB/ 3.267e+01 8.043e-01 -5.462e-02 -3.309e-02 / CHEB/ -5.455e-01 2.918e-01 6.162e-02 -2.602e-02 / CHEB/ -2.429e-01 3.893e-02 5.475e-02 1.910e-03 / CHEB/ -1.070e-01 -1.208e-02 1.512e-02 1.016e-02 / CHEB/ -5.880e-02 3.738e-03 -3.992e-03 3.788e-03 /

1998.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.2	-7.9	-0.7	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-32.1	-7.3	+0.1	+3.4

Chebyshev(coeffs=[[-31.0331,0.903945,-0.197477,0.0260596],[34.6275,0.819708,0.0232555,-0.0574527],[-0.715331,0.204472,0.0890043,-0.00901587],[-0.259924,-0.016375,0.038491,0.0166015],[-0.101419,-0.0253449,-0.00096974,0.00953201],[-0.057949,0.00550828,-0.00609231,-0.00076081]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 117.15
S298 (cal/mol*K) = 45.24
G298 (kcal/mol) = 103.67

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C5H7(103); C7H10(146), C2H3(100); C7H10(146)(+M)=>C5H7(103)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.103e+01 9.039e-01 -1.975e-01 2.606e-02 / CHEB/ 3.463e+01 8.197e-01 2.326e-02 -5.745e-02 / CHEB/ -7.153e-01 2.045e-01 8.900e-02 -9.016e-03 / CHEB/ -2.599e-01 -1.637e-02 3.849e-02 1.660e-02 / CHEB/ -1.014e-01 -2.534e-02 -9.697e-04 9.532e-03 / CHEB/ -5.795e-02 5.508e-03 -6.092e-03 -7.608e-04 /

1999.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.0	-6.4	+0.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-28.1	-6.1	+0.6	+3.6

Chebyshev(coeffs=[[-26.7086,0.516557,-0.118699,0.0216428],[30.3014,0.718703,-0.089663,-0.0110639],[-0.486498,0.330505,0.0263677,-0.0260222],[-0.249984,0.0910994,0.0507161,-0.0103353],[-0.121814,0.0121849,0.0249926,0.00415508],[-0.065557,0.00790471,0.00131409,0.00541308]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.80
S298 (cal/mol*K) = 28.13
G298 (kcal/mol) = 91.42

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(104); C7H10(146)(+M)=>H(25)+C7H9(104)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.671e+01 5.166e-01 -1.187e-01 2.164e-02 / CHEB/ 3.030e+01 7.187e-01 -8.966e-02 -1.106e-02 / CHEB/ -4.865e-01 3.305e-01 2.637e-02 -2.602e-02 / CHEB/ -2.500e-01 9.110e-02 5.072e-02 -1.034e-02 / CHEB/ -1.218e-01 1.218e-02 2.499e-02 4.155e-03 / CHEB/ -6.556e-02 7.905e-03 1.314e-03 5.413e-03 /

2000.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.0	-6.4	+0.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-28.1	-6.1	+0.6	+3.6

H298 (kcal/mol) = 99.80
S298 (cal/mol*K) = 28.13
G298 (kcal/mol) = 91.42

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(105); C7H10(146)(+M)=>H(25)+C7H9(105)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.671e+01 5.166e-01 -1.187e-01 2.164e-02 / CHEB/ 3.030e+01 7.187e-01 -8.966e-02 -1.106e-02 / CHEB/ -4.865e-01 3.305e-01 2.637e-02 -2.602e-02 / CHEB/ -2.500e-01 9.110e-02 5.072e-02 -1.034e-02 / CHEB/ -1.218e-01 1.218e-02 2.499e-02 4.155e-03 / CHEB/ -6.556e-02 7.905e-03 1.314e-03 5.413e-03 /

2001.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.8	-9.2	-2.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-32.7	-8.7	-1.3	+2.0

Chebyshev(coeffs=[[-31.4183,0.721456,-0.162615,0.0271052],[33.3553,0.816758,-0.0410267,-0.0391713],[-0.530141,0.275824,0.0696351,-0.0239396],[-0.231207,0.0255002,0.0531303,0.00555221],[-0.100279,-0.0165254,0.0117044,0.0108444],[-0.0564541,0.00363906,-0.00494064,0.00290228]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.20
S298 (cal/mol*K) = 28.81
G298 (kcal/mol) = 102.61

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(106); C7H10(146)(+M)=>H(25)+C7H9(106)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.142e+01 7.215e-01 -1.626e-01 2.711e-02 / CHEB/ 3.336e+01 8.168e-01 -4.103e-02 -3.917e-02 / CHEB/ -5.301e-01 2.758e-01 6.964e-02 -2.394e-02 / CHEB/ -2.312e-01 2.550e-02 5.313e-02 5.552e-03 / CHEB/ -1.003e-01 -1.653e-02 1.170e-02 1.084e-02 / CHEB/ -5.645e-02 3.639e-03 -4.941e-03 2.902e-03 /

2002.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.8	-9.2	-2.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-32.7	-8.7	-1.3	+2.0

H298 (kcal/mol) = 111.20
S298 (cal/mol*K) = 28.81
G298 (kcal/mol) = 102.61

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(107); C7H10(146)(+M)=>H(25)+C7H9(107)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.142e+01 7.215e-01 -1.626e-01 2.711e-02 / CHEB/ 3.336e+01 8.168e-01 -4.103e-02 -3.917e-02 / CHEB/ -5.301e-01 2.758e-01 6.964e-02 -2.394e-02 / CHEB/ -2.312e-01 2.550e-02 5.313e-02 5.552e-03 / CHEB/ -1.003e-01 -1.653e-02 1.170e-02 1.084e-02 / CHEB/ -5.645e-02 3.639e-03 -4.941e-03 2.902e-03 /

2003.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	+1.4	+4.9	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-9.7	+1.3	+4.9	+6.6

Chebyshev(coeffs=[[-8.78579,0.0934801,-0.0238153,0.00448367],[15.3684,0.17535,-0.0428951,0.00747658],[-0.0837599,0.14485,-0.0308295,0.00384867],[-0.0914417,0.1056,-0.0165108,-4.49431e-06],[-0.0713527,0.0682197,-0.00485033,-0.00245616],[-0.0482907,0.0392618,0.0017379,-0.00303941]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.89
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = 42.21

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(108); C7H10(146)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.786e+00 9.348e-02 -2.382e-02 4.484e-03 / CHEB/ 1.537e+01 1.753e-01 -4.290e-02 7.477e-03 / CHEB/ -8.376e-02 1.449e-01 -3.083e-02 3.849e-03 / CHEB/ -9.144e-02 1.056e-01 -1.651e-02 -4.494e-06 / CHEB/ -7.135e-02 6.822e-02 -4.850e-03 -2.456e-03 / CHEB/ -4.829e-02 3.926e-02 1.738e-03 -3.039e-03 /

2004.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.0	-3.4	+2.2	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-22.0	-3.3	+2.5	+5.1

Chebyshev(coeffs=[[-20.7261,0.317608,-0.0739913,0.0136212],[25.9209,0.520407,-0.0954805,0.00810015],[-0.396922,0.312994,-0.0189232,-0.0118377],[-0.234545,0.141214,0.0233621,-0.0148228],[-0.130929,0.0518273,0.0246391,-0.00619278],[-0.0734003,0.0220898,0.00942675,0.00155589]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.70
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = 76.47

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(87); C7H10(146)(+M)=>C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.073e+01 3.176e-01 -7.399e-02 1.362e-02 / CHEB/ 2.592e+01 5.204e-01 -9.548e-02 8.100e-03 / CHEB/ -3.969e-01 3.130e-01 -1.892e-02 -1.184e-02 / CHEB/ -2.345e-01 1.412e-01 2.336e-02 -1.482e-02 / CHEB/ -1.309e-01 5.183e-02 2.464e-02 -6.193e-03 / CHEB/ -7.340e-02 2.209e-02 9.427e-03 1.556e-03 /

2005.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.5	-3.0	+2.4	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-2.9	+2.8	+5.3

Chebyshev(coeffs=[[-20.3022,0.319062,-0.0743198,0.013682],[25.7562,0.522244,-0.095623,0.00802533],[-0.442621,0.313475,-0.0186434,-0.0119754],[-0.248343,0.141004,0.0236422,-0.0148595],[-0.135342,0.0515524,0.0247209,-0.00613779],[-0.07494,0.0219646,0.00937829,0.001608]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.52
S298 (cal/mol*K) = 12.77
G298 (kcal/mol) = 75.72

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(109); C7H10(146)(+M)=>C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.030e+01 3.191e-01 -7.432e-02 1.368e-02 / CHEB/ 2.576e+01 5.222e-01 -9.562e-02 8.025e-03 / CHEB/ -4.426e-01 3.135e-01 -1.864e-02 -1.198e-02 / CHEB/ -2.483e-01 1.410e-01 2.364e-02 -1.486e-02 / CHEB/ -1.353e-01 5.155e-02 2.472e-02 -6.138e-03 / CHEB/ -7.494e-02 2.196e-02 9.378e-03 1.608e-03 /

2006.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.0	-9.0	-2.8	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-30.0	-8.8	-2.2	+0.7

Chebyshev(coeffs=[[-28.6868,0.471989,-0.107524,0.0195443],[29.373,0.686917,-0.095026,-0.00524774],[-0.456379,0.337445,0.0154741,-0.0238542],[-0.248821,0.106477,0.0469207,-0.0128827],[-0.125677,0.020785,0.0268156,0.00170623],[-0.0678031,0.00985348,0.00326399,0.00524487]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.44
S298 (cal/mol*K) = 6.89
G298 (kcal/mol) = 73.39

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(95); C7H10(146)(+M)=>C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.869e+01 4.720e-01 -1.075e-01 1.954e-02 / CHEB/ 2.937e+01 6.869e-01 -9.503e-02 -5.248e-03 / CHEB/ -4.564e-01 3.374e-01 1.547e-02 -2.385e-02 / CHEB/ -2.488e-01 1.065e-01 4.692e-02 -1.288e-02 / CHEB/ -1.257e-01 2.079e-02 2.682e-02 1.706e-03 / CHEB/ -6.780e-02 9.853e-03 3.264e-03 5.245e-03 /

2007.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-8.9	-3.2	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-28.1	-8.8	-2.8	-0.2

Chebyshev(coeffs=[[-26.8118,0.351927,-0.0817818,0.0150847],[26.723,0.561977,-0.0979839,0.00599288],[-0.44093,0.322803,-0.0120389,-0.0149959],[-0.248156,0.13547,0.0296841,-0.0153847],[-0.133806,0.045195,0.0261967,-0.00473924],[-0.0736938,0.0191871,0.00818863,0.00271115]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.33
S298 (cal/mol*K) = 6.66
G298 (kcal/mol) = 64.35

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(110); C7H10(146)(+M)=>C7H10(110)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.681e+01 3.519e-01 -8.178e-02 1.508e-02 / CHEB/ 2.672e+01 5.620e-01 -9.798e-02 5.993e-03 / CHEB/ -4.409e-01 3.228e-01 -1.204e-02 -1.500e-02 / CHEB/ -2.482e-01 1.355e-01 2.968e-02 -1.538e-02 / CHEB/ -1.338e-01 4.519e-02 2.620e-02 -4.739e-03 / CHEB/ -7.369e-02 1.919e-02 8.189e-03 2.711e-03 /

2008.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.2	-6.4	-0.3	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-6.2	+0.3	+3.1

Chebyshev(coeffs=[[-25.8351,0.451168,-0.102708,0.0186656],[28.9571,0.668977,-0.096732,-0.00284445],[-0.44145,0.338357,0.0103876,-0.0225796],[-0.246908,0.113004,0.0445858,-0.0137922],[-0.126951,0.0250832,0.0273091,0.000511611],[-0.0687798,0.0111374,0.00419412,0.00500639]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.70
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = 76.47

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(85); C7H10(146)(+M)=>C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.584e+01 4.512e-01 -1.027e-01 1.867e-02 / CHEB/ 2.896e+01 6.690e-01 -9.673e-02 -2.844e-03 / CHEB/ -4.415e-01 3.384e-01 1.039e-02 -2.258e-02 / CHEB/ -2.469e-01 1.130e-01 4.459e-02 -1.379e-02 / CHEB/ -1.270e-01 2.508e-02 2.731e-02 5.116e-04 / CHEB/ -6.878e-02 1.114e-02 4.194e-03 5.006e-03 /

2009.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.0	-4.0	+1.4	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-22.1	-4.0	+1.7	+4.2

Chebyshev(coeffs=[[-20.8851,0.215861,-0.100341,-0.00592834],[25.2367,0.461085,-0.0806889,0.0143804],[-0.432834,0.274014,-0.0332698,-0.0116245],[-0.21793,0.140419,0.0125116,-0.0138399],[-0.118788,0.0662853,0.023894,-0.00549605],[-0.0677356,0.0338612,0.0137784,0.0017647]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.72
S298 (cal/mol*K) = 12.35
G298 (kcal/mol) = 78.04

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(111); C7H10(146)(+M)=>C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.089e+01 2.159e-01 -1.003e-01 -5.928e-03 / CHEB/ 2.524e+01 4.611e-01 -8.069e-02 1.438e-02 / CHEB/ -4.328e-01 2.740e-01 -3.327e-02 -1.162e-02 / CHEB/ -2.179e-01 1.404e-01 1.251e-02 -1.384e-02 / CHEB/ -1.188e-01 6.629e-02 2.389e-02 -5.496e-03 / CHEB/ -6.774e-02 3.386e-02 1.378e-02 1.765e-03 /

2010.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.1	-6.1	-0.8	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-24.1	-6.1	-0.4	+2.0

Chebyshev(coeffs=[[-22.8629,0.28657,-0.0669581,0.0122981],[24.9977,0.480102,-0.0918815,0.00947828],[-0.380418,0.301153,-0.0244572,-0.00891864],[-0.22794,0.144854,0.0171988,-0.013775],[-0.129714,0.0575024,0.0225299,-0.00717801],[-0.0734594,0.0247951,0.0103274,0.000404443]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.79
S298 (cal/mol*K) = 8.61
G298 (kcal/mol) = 70.23

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(112); C7H10(146)(+M)=>C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.286e+01 2.866e-01 -6.696e-02 1.230e-02 / CHEB/ 2.500e+01 4.801e-01 -9.188e-02 9.478e-03 / CHEB/ -3.804e-01 3.012e-01 -2.446e-02 -8.919e-03 / CHEB/ -2.279e-01 1.449e-01 1.720e-02 -1.377e-02 / CHEB/ -1.297e-01 5.750e-02 2.253e-02 -7.178e-03 / CHEB/ -7.346e-02 2.480e-02 1.033e-02 4.044e-04 /

2011.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-3.5	+1.0	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-3.5	+1.2	+3.2

Chebyshev(coeffs=[[-16.9248,0.162616,-0.0393175,0.00722288],[20.2266,0.294165,-0.0654586,0.0100673],[-0.244128,0.219448,-0.0359321,0.00119247],[-0.166392,0.136697,-0.00807637,-0.00534887],[-0.106166,0.073104,0.00674812,-0.00634888],[-0.0643042,0.035802,0.00886583,-0.00351953]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.20
S298 (cal/mol*K) = 3.63
G298 (kcal/mol) = 63.12

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(113); C7H10(146)(+M)=>C7H10(113)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.692e+01 1.626e-01 -3.932e-02 7.223e-03 / CHEB/ 2.023e+01 2.942e-01 -6.546e-02 1.007e-02 / CHEB/ -2.441e-01 2.194e-01 -3.593e-02 1.192e-03 / CHEB/ -1.664e-01 1.367e-01 -8.076e-03 -5.349e-03 / CHEB/ -1.062e-01 7.310e-02 6.748e-03 -6.349e-03 / CHEB/ -6.430e-02 3.580e-02 8.866e-03 -3.520e-03 /

2012.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.2	-2.9	+1.9	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-2.9	+2.1	+4.4

Chebyshev(coeffs=[[-16.9265,0.202161,-0.0444971,0.00756284],[21.1028,0.362444,-0.0720736,0.00972469],[-0.0681756,0.263032,-0.0351388,-0.000764569],[-0.137119,0.155892,-0.00234085,-0.00758545],[-0.106006,0.0772312,0.0125011,-0.00733793],[-0.0680231,0.034476,0.0116687,-0.00298228]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.93
S298 (cal/mol*K) = 7.41
G298 (kcal/mol) = 59.73

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(114); C7H10(146)(+M)=>C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.693e+01 2.022e-01 -4.450e-02 7.563e-03 / CHEB/ 2.110e+01 3.624e-01 -7.207e-02 9.725e-03 / CHEB/ -6.818e-02 2.630e-01 -3.514e-02 -7.646e-04 / CHEB/ -1.371e-01 1.559e-01 -2.341e-03 -7.585e-03 / CHEB/ -1.060e-01 7.723e-02 1.250e-02 -7.338e-03 / CHEB/ -6.802e-02 3.448e-02 1.167e-02 -2.982e-03 /

2013.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.2	-5.4	-0.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-22.2	-5.3	+0.0	+2.4

Chebyshev(coeffs=[[-20.9454,0.23966,-0.055191,0.00988444],[23.3349,0.416431,-0.0831207,0.0104008],[-0.260162,0.281107,-0.0315203,-0.00431801],[-0.192035,0.150312,0.00687786,-0.0110273],[-0.119925,0.0669447,0.0179846,-0.00789979],[-0.0709711,0.0292514,0.0113998,-0.00149508]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.24
S298 (cal/mol*K) = 5.79
G298 (kcal/mol) = 64.52

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(96); C7H10(146)(+M)=>C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.095e+01 2.397e-01 -5.519e-02 9.884e-03 / CHEB/ 2.333e+01 4.164e-01 -8.312e-02 1.040e-02 / CHEB/ -2.602e-01 2.811e-01 -3.152e-02 -4.318e-03 / CHEB/ -1.920e-01 1.503e-01 6.878e-03 -1.103e-02 / CHEB/ -1.199e-01 6.694e-02 1.798e-02 -7.900e-03 / CHEB/ -7.097e-02 2.925e-02 1.140e-02 -1.495e-03 /

2014.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.1	-4.9	-0.0	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-21.1	-4.9	+0.2	+2.5

Chebyshev(coeffs=[[-19.8627,0.213684,-0.0497797,0.00895921],[22.401,0.376703,-0.077802,0.0105376],[-0.244502,0.263091,-0.033951,-0.00223542],[-0.181963,0.148134,0.00149593,-0.00925215],[-0.115686,0.0701771,0.0145875,-0.00772551],[-0.0692571,0.0316849,0.0111056,-0.00236001]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.53
S298 (cal/mol*K) = 6.24
G298 (kcal/mol) = 66.67

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(115); C7H10(146)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.986e+01 2.137e-01 -4.978e-02 8.959e-03 / CHEB/ 2.240e+01 3.767e-01 -7.780e-02 1.054e-02 / CHEB/ -2.445e-01 2.631e-01 -3.395e-02 -2.235e-03 / CHEB/ -1.820e-01 1.481e-01 1.496e-03 -9.252e-03 / CHEB/ -1.157e-01 7.018e-02 1.459e-02 -7.726e-03 / CHEB/ -6.926e-02 3.168e-02 1.111e-02 -2.360e-03 /

2015.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.2	-4.1	+0.7	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-4.1	+0.9	+3.2

Chebyshev(coeffs=[[-18.9989,0.206346,-0.0489638,0.00895798],[22.2733,0.364138,-0.07685,0.0106964],[-0.287371,0.255306,-0.0343126,-0.00184512],[-0.189653,0.144905,0.000371928,-0.00889631],[-0.116681,0.0696253,0.0136036,-0.00763238],[-0.0689794,0.0320227,0.0107057,-0.00250486]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 63.59
S298 (cal/mol*K) = 7.51
G298 (kcal/mol) = 61.36

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(116); C7H10(146)(+M)=>C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.900e+01 2.063e-01 -4.896e-02 8.958e-03 / CHEB/ 2.227e+01 3.641e-01 -7.685e-02 1.070e-02 / CHEB/ -2.874e-01 2.553e-01 -3.431e-02 -1.845e-03 / CHEB/ -1.897e-01 1.449e-01 3.719e-04 -8.896e-03 / CHEB/ -1.167e-01 6.963e-02 1.360e-02 -7.632e-03 / CHEB/ -6.898e-02 3.202e-02 1.071e-02 -2.505e-03 /

2016.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	+1.9	+4.5	+5.7
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+1.9	+4.5	+5.8

Chebyshev(coeffs=[[-5.65231,0.0555144,-0.0155289,0.00313213],[11.4241,0.105907,-0.0289467,0.00559167],[-0.0626453,0.0919705,-0.0233147,0.00383438],[-0.0604257,0.072698,-0.0159065,0.00165578],[-0.0482383,0.0522481,-0.00876249,-0.00021472],[-0.0342086,0.0339657,-0.00341896,-0.00129455]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.00
S298 (cal/mol*K) = -2.34
G298 (kcal/mol) = 28.70

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(63); C7H10(146)(+M)=>C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.652e+00 5.551e-02 -1.553e-02 3.132e-03 / CHEB/ 1.142e+01 1.059e-01 -2.895e-02 5.592e-03 / CHEB/ -6.265e-02 9.197e-02 -2.331e-02 3.834e-03 / CHEB/ -6.043e-02 7.270e-02 -1.591e-02 1.656e-03 / CHEB/ -4.824e-02 5.225e-02 -8.762e-03 -2.147e-04 / CHEB/ -3.421e-02 3.397e-02 -3.419e-03 -1.295e-03 /

2017.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.6	-7.3	-1.6	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-26.7	-7.2	-1.2	+1.4

Chebyshev(coeffs=[[-25.4077,0.362605,-0.0842043,0.0155379],[26.9299,0.574267,-0.0984442,0.0052151],[-0.460061,0.325214,-0.00977227,-0.0159426],[-0.253515,0.133365,0.03153,-0.0154336],[-0.135084,0.0430734,0.0265313,-0.00422832],[-0.0738732,0.0183064,0.00777034,0.00303617]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.70
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = 76.47

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(86); C7H10(146)(+M)=>C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.541e+01 3.626e-01 -8.420e-02 1.554e-02 / CHEB/ 2.693e+01 5.743e-01 -9.844e-02 5.215e-03 / CHEB/ -4.601e-01 3.252e-01 -9.772e-03 -1.594e-02 / CHEB/ -2.535e-01 1.334e-01 3.153e-02 -1.543e-02 / CHEB/ -1.351e-01 4.307e-02 2.653e-02 -4.228e-03 / CHEB/ -7.387e-02 1.831e-02 7.770e-03 3.036e-03 /

2018.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.1	-5.4	-0.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-22.1	-5.3	+0.0	+2.4

Chebyshev(coeffs=[[-20.9162,0.237634,-0.0549664,0.00988133],[23.3043,0.413059,-0.0829032,0.0104561],[-0.267124,0.279162,-0.031688,-0.00419862],[-0.193311,0.149624,0.00653582,-0.0109377],[-0.120015,0.0669141,0.0177332,-0.00789539],[-0.0708867,0.029387,0.0113293,-0.00154683]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.24
S298 (cal/mol*K) = 5.79
G298 (kcal/mol) = 64.52

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(97); C7H10(146)(+M)=>C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.092e+01 2.376e-01 -5.497e-02 9.881e-03 / CHEB/ 2.330e+01 4.131e-01 -8.290e-02 1.046e-02 / CHEB/ -2.671e-01 2.792e-01 -3.169e-02 -4.199e-03 / CHEB/ -1.933e-01 1.496e-01 6.536e-03 -1.094e-02 / CHEB/ -1.200e-01 6.691e-02 1.773e-02 -7.895e-03 / CHEB/ -7.089e-02 2.939e-02 1.133e-02 -1.547e-03 /

2019.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.2	-5.2	-0.4	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-21.2	-5.2	-0.2	+2.1

Chebyshev(coeffs=[[-20.0556,0.208123,-0.0493566,0.00902885],[22.2216,0.366893,-0.0772697,0.0107049],[-0.31519,0.256594,-0.0341831,-0.00198461],[-0.198827,0.145094,0.00073865,-0.00903204],[-0.119645,0.0694196,0.0138568,-0.00766118],[-0.0700531,0.0318613,0.0107434,-0.00245043]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 63.73
S298 (cal/mol*K) = 3.23
G298 (kcal/mol) = 62.77

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(117); C7H10(146)(+M)=>C7H10(117)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.006e+01 2.081e-01 -4.936e-02 9.029e-03 / CHEB/ 2.222e+01 3.669e-01 -7.727e-02 1.070e-02 / CHEB/ -3.152e-01 2.566e-01 -3.418e-02 -1.985e-03 / CHEB/ -1.988e-01 1.451e-01 7.386e-04 -9.032e-03 / CHEB/ -1.196e-01 6.942e-02 1.386e-02 -7.661e-03 / CHEB/ -7.005e-02 3.186e-02 1.074e-02 -2.450e-03 /

2020.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.2	-4.1	+0.7	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-4.1	+0.9	+3.2

H298 (kcal/mol) = 63.59
S298 (cal/mol*K) = 7.51
G298 (kcal/mol) = 61.36

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(118); C7H10(146)(+M)=>C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.900e+01 2.063e-01 -4.896e-02 8.958e-03 / CHEB/ 2.227e+01 3.641e-01 -7.685e-02 1.070e-02 / CHEB/ -2.874e-01 2.553e-01 -3.431e-02 -1.845e-03 / CHEB/ -1.897e-01 1.449e-01 3.719e-04 -8.896e-03 / CHEB/ -1.167e-01 6.963e-02 1.360e-02 -7.632e-03 / CHEB/ -6.898e-02 3.202e-02 1.071e-02 -2.505e-03 /

2021.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.1	-7.0	-1.4	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-26.2	-6.9	-1.0	+1.6

Chebyshev(coeffs=[[-24.8889,0.346224,-0.080487,0.0148419],[26.6266,0.555287,-0.0976757,0.0063847],[-0.426865,0.321397,-0.0132289,-0.0144815],[-0.244037,0.136536,0.028674,-0.0153345],[-0.132732,0.0463178,0.0259902,-0.0050022],[-0.0734476,0.019662,0.00840682,0.00253034]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.90
S298 (cal/mol*K) = 10.43
G298 (kcal/mol) = 78.80

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(88); C7H10(146)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.489e+01 3.462e-01 -8.049e-02 1.484e-02 / CHEB/ 2.663e+01 5.553e-01 -9.768e-02 6.385e-03 / CHEB/ -4.269e-01 3.214e-01 -1.323e-02 -1.448e-02 / CHEB/ -2.440e-01 1.365e-01 2.867e-02 -1.533e-02 / CHEB/ -1.327e-01 4.632e-02 2.599e-02 -5.002e-03 / CHEB/ -7.345e-02 1.966e-02 8.407e-03 2.530e-03 /

2022.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.4	-7.0	-1.5	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-25.5	-6.9	-1.1	+1.5

Chebyshev(coeffs=[[-24.1566,0.310056,-0.0711345,0.0128686],[25.6353,0.513443,-0.0942455,0.00849229],[-0.340652,0.314013,-0.0207443,-0.010854],[-0.221759,0.14482,0.0217065,-0.0145453],[-0.128061,0.0541205,0.0244346,-0.00657156],[-0.0728475,0.0225993,0.00997632,0.00122059]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.64
S298 (cal/mol*K) = 6.47
G298 (kcal/mol) = 75.72

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(37); C7H10(146)(+M)=>C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.416e+01 3.101e-01 -7.113e-02 1.287e-02 / CHEB/ 2.564e+01 5.134e-01 -9.425e-02 8.492e-03 / CHEB/ -3.407e-01 3.140e-01 -2.074e-02 -1.085e-02 / CHEB/ -2.218e-01 1.448e-01 2.171e-02 -1.455e-02 / CHEB/ -1.281e-01 5.412e-02 2.443e-02 -6.572e-03 / CHEB/ -7.285e-02 2.260e-02 9.976e-03 1.221e-03 /

2023.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.7	-4.9	-0.1	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-20.7	-4.9	+0.1	+2.3

Chebyshev(coeffs=[[-19.5449,0.198334,-0.0471872,0.00863465],[21.9128,0.351656,-0.0749196,0.0106424],[-0.2845,0.249363,-0.0348416,-0.00122875],[-0.186839,0.143937,-0.00126645,-0.00827306],[-0.11554,0.0705026,0.0124363,-0.00748018],[-0.0684476,0.0327439,0.0105049,-0.0027403]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.93
S298 (cal/mol*K) = 2.81
G298 (kcal/mol) = 65.10

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(119); C7H10(146)(+M)=>C7H10(119)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.954e+01 1.983e-01 -4.719e-02 8.635e-03 / CHEB/ 2.191e+01 3.517e-01 -7.492e-02 1.064e-02 / CHEB/ -2.845e-01 2.494e-01 -3.484e-02 -1.229e-03 / CHEB/ -1.868e-01 1.439e-01 -1.266e-03 -8.273e-03 / CHEB/ -1.155e-01 7.050e-02 1.244e-02 -7.480e-03 / CHEB/ -6.845e-02 3.274e-02 1.050e-02 -2.740e-03 /

2024.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.4	-5.7	-0.4	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-23.4	-5.7	-0.1	+2.3

Chebyshev(coeffs=[[-22.2174,0.273498,-0.0640034,0.0117432],[24.6218,0.462363,-0.0899905,0.00990665],[-0.363283,0.29525,-0.0265441,-0.00769686],[-0.2221,0.145872,0.014505,-0.0131829],[-0.127924,0.0597711,0.0214252,-0.00747566],[-0.0729859,0.0259536,0.0106152,-9.5499e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.99
S298 (cal/mol*K) = 8.19
G298 (kcal/mol) = 72.55

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(120); C7H10(146)(+M)=>C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.222e+01 2.735e-01 -6.400e-02 1.174e-02 / CHEB/ 2.462e+01 4.624e-01 -8.999e-02 9.907e-03 / CHEB/ -3.633e-01 2.953e-01 -2.654e-02 -7.697e-03 / CHEB/ -2.221e-01 1.459e-01 1.450e-02 -1.318e-02 / CHEB/ -1.279e-01 5.977e-02 2.143e-02 -7.476e-03 / CHEB/ -7.299e-02 2.595e-02 1.062e-02 -9.550e-05 /

2025.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.3	+2.8	+6.1	+7.5
log₁₀(k(10 bar)/[mole,m,s])	-7.2	+2.8	+6.2	+7.8

Chebyshev(coeffs=[[-6.39058,0.0820248,-0.0210862,0.00399021],[14.015,0.154817,-0.038445,0.00682266],[-0.0240598,0.130228,-0.0287731,0.00392471],[-0.0682209,0.0977067,-0.0168351,0.000657847],[-0.0611514,0.0654611,-0.00646311,-0.00169738],[-0.0437904,0.0391613,7.53815e-05,-0.00259523]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.20
S298 (cal/mol*K) = -4.79
G298 (kcal/mol) = -5.77

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(79); C7H10(146)(+M)=>C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.391e+00 8.202e-02 -2.109e-02 3.990e-03 / CHEB/ 1.401e+01 1.548e-01 -3.845e-02 6.823e-03 / CHEB/ -2.406e-02 1.302e-01 -2.877e-02 3.925e-03 / CHEB/ -6.822e-02 9.771e-02 -1.684e-02 6.578e-04 / CHEB/ -6.115e-02 6.546e-02 -6.463e-03 -1.697e-03 / CHEB/ -4.379e-02 3.916e-02 7.538e-05 -2.595e-03 /

2026.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	-3.0	+1.0	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-3.0	+1.1	+3.0

Chebyshev(coeffs=[[-14.5471,0.119497,-0.0294903,0.00543962],[17.4644,0.221359,-0.0517284,0.00856243],[-0.128171,0.176295,-0.0339737,0.00324109],[-0.117816,0.121327,-0.0145304,-0.00174792],[-0.0856323,0.0729346,-0.000776559,-0.00404759],[-0.0555021,0.0390739,0.00505584,-0.00361591]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.32
S298 (cal/mol*K) = -18.54
G298 (kcal/mol) = -3.80

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(121); C7H10(146)(+M)=>C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.455e+01 1.195e-01 -2.949e-02 5.440e-03 / CHEB/ 1.746e+01 2.214e-01 -5.173e-02 8.562e-03 / CHEB/ -1.282e-01 1.763e-01 -3.397e-02 3.241e-03 / CHEB/ -1.178e-01 1.213e-01 -1.453e-02 -1.748e-03 / CHEB/ -8.563e-02 7.293e-02 -7.766e-04 -4.048e-03 / CHEB/ -5.550e-02 3.907e-02 5.056e-03 -3.616e-03 /

2027.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	+0.7	+6.2	+8.5
log₁₀(k(10 bar)/[mole,m,s])	-17.5	+0.8	+6.6	+9.2

Chebyshev(coeffs=[[-16.2066,0.304448,-0.0686905,0.0122126],[25.3274,0.508674,-0.0929708,0.00871672],[-0.299034,0.315735,-0.0221637,-0.010029],[-0.21177,0.148419,0.0203394,-0.0142632],[-0.126264,0.0562893,0.0242896,-0.00686372],[-0.072687,0.0230363,0.0104877,0.000933612]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.54
S298 (cal/mol*K) = 24.19
G298 (kcal/mol) = 71.33

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(122); C7H10(146)(+M)=>C7H10(122)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.621e+01 3.044e-01 -6.869e-02 1.221e-02 / CHEB/ 2.533e+01 5.087e-01 -9.297e-02 8.717e-03 / CHEB/ -2.990e-01 3.157e-01 -2.216e-02 -1.003e-02 / CHEB/ -2.118e-01 1.484e-01 2.034e-02 -1.426e-02 / CHEB/ -1.263e-01 5.629e-02 2.429e-02 -6.864e-03 / CHEB/ -7.269e-02 2.304e-02 1.049e-02 9.336e-04 /

2028.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.5	-1.5	+4.5	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-21.6	-1.3	+5.0	+7.7

Chebyshev(coeffs=[[-20.2183,0.397087,-0.0920121,0.0169838],[27.9926,0.611941,-0.0989568,0.00235152],[-0.422018,0.330979,-0.00209942,-0.018852],[-0.241756,0.125656,0.0370616,-0.0151947],[-0.128792,0.0361059,0.0271612,-0.002441],[-0.0708177,0.015565,0.00635335,0.0039544]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.98
S298 (cal/mol*K) = 21.55
G298 (kcal/mol) = 65.56

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(123); C7H10(146)(+M)=>C7H10(123)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.022e+01 3.971e-01 -9.201e-02 1.698e-02 / CHEB/ 2.799e+01 6.119e-01 -9.896e-02 2.352e-03 / CHEB/ -4.220e-01 3.310e-01 -2.099e-03 -1.885e-02 / CHEB/ -2.418e-01 1.257e-01 3.706e-02 -1.519e-02 / CHEB/ -1.288e-01 3.611e-02 2.716e-02 -2.441e-03 / CHEB/ -7.082e-02 1.556e-02 6.353e-03 3.954e-03 /

2029.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-1.1	+4.4	+6.7
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-1.0	+4.7	+7.3

Chebyshev(coeffs=[[-18.1167,0.295241,-0.068919,0.0126662],[25.4464,0.491624,-0.0930126,0.00914368],[-0.345137,0.304772,-0.0229923,-0.00973221],[-0.21794,0.144006,0.0189571,-0.0141192],[-0.126318,0.0559535,0.0231917,-0.00694059],[-0.0721211,0.0240313,0.0101041,0.000732746]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.71
S298 (cal/mol*K) = 25.94
G298 (kcal/mol) = 70.98

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(124); C7H10(146)(+M)=>C7H10(124)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.812e+01 2.952e-01 -6.892e-02 1.267e-02 / CHEB/ 2.545e+01 4.916e-01 -9.301e-02 9.144e-03 / CHEB/ -3.451e-01 3.048e-01 -2.299e-02 -9.732e-03 / CHEB/ -2.179e-01 1.440e-01 1.896e-02 -1.412e-02 / CHEB/ -1.263e-01 5.595e-02 2.319e-02 -6.941e-03 / CHEB/ -7.212e-02 2.403e-02 1.010e-02 7.327e-04 /

2030.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-2.4	+2.9	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-2.3	+3.2	+5.6

Chebyshev(coeffs=[[-18.911,0.28226,-0.0659834,0.0121149],[24.6646,0.474304,-0.0912829,0.00962972],[-0.421461,0.299267,-0.0251621,-0.00851482],[-0.239804,0.145226,0.0163161,-0.0135895],[-0.133687,0.0582595,0.0221801,-0.00728443],[-0.0749182,0.0251761,0.0104292,0.000240066]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.24
S298 (cal/mol*K) = 25.51
G298 (kcal/mol) = 68.64

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(125); C7H10(146)(+M)=>C7H10(125)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.891e+01 2.823e-01 -6.598e-02 1.211e-02 / CHEB/ 2.466e+01 4.743e-01 -9.128e-02 9.630e-03 / CHEB/ -4.215e-01 2.993e-01 -2.516e-02 -8.515e-03 / CHEB/ -2.398e-01 1.452e-01 1.632e-02 -1.359e-02 / CHEB/ -1.337e-01 5.826e-02 2.218e-02 -7.284e-03 / CHEB/ -7.492e-02 2.518e-02 1.043e-02 2.401e-04 /

2031.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.4	-5.7	-0.1	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-24.4	-5.6	+0.3	+2.9

Chebyshev(coeffs=[[-23.1748,0.325107,-0.0756899,0.013939],[26.1233,0.529778,-0.0961674,0.00769461],[-0.401648,0.31542,-0.0174766,-0.01254],[-0.2366,0.140101,0.0247931,-0.0149993],[-0.131174,0.0504045,0.025046,-0.00590342],[-0.0733571,0.0214462,0.00917333,0.00182137]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.42
S298 (cal/mol*K) = 3.12
G298 (kcal/mol) = 76.49

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(126); C7H10(146)(+M)=>C7H10(126)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.317e+01 3.251e-01 -7.569e-02 1.394e-02 / CHEB/ 2.612e+01 5.298e-01 -9.617e-02 7.695e-03 / CHEB/ -4.016e-01 3.154e-01 -1.748e-02 -1.254e-02 / CHEB/ -2.366e-01 1.401e-01 2.479e-02 -1.500e-02 / CHEB/ -1.312e-01 5.040e-02 2.505e-02 -5.903e-03 / CHEB/ -7.336e-02 2.145e-02 9.173e-03 1.821e-03 /

2032.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.0	-4.3	+1.3	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-23.0	-4.2	+1.7	+4.3

Chebyshev(coeffs=[[-21.7557,0.321951,-0.074976,0.0138063],[26.0735,0.525842,-0.0958806,0.00786561],[-0.392524,0.314428,-0.0180958,-0.0122419],[-0.233223,0.140582,0.0241933,-0.0149288],[-0.130416,0.0510049,0.0248805,-0.00602809],[-0.0731194,0.0217158,0.00928197,0.00171021]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.51
S298 (cal/mol*K) = 6.70
G298 (kcal/mol) = 79.51

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(127); C7H10(146)(+M)=>C7H10(127)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.176e+01 3.220e-01 -7.498e-02 1.381e-02 / CHEB/ 2.607e+01 5.258e-01 -9.588e-02 7.866e-03 / CHEB/ -3.925e-01 3.144e-01 -1.810e-02 -1.224e-02 / CHEB/ -2.332e-01 1.406e-01 2.419e-02 -1.493e-02 / CHEB/ -1.304e-01 5.100e-02 2.488e-02 -6.028e-03 / CHEB/ -7.312e-02 2.172e-02 9.282e-03 1.710e-03 /

2034.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.2	-6.8	-1.6	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-25.2	-6.7	-1.2	+1.1

Chebyshev(coeffs=[[-24.1662,0.346142,-0.0804685,0.0148385],[25.6346,0.55519,-0.0976707,0.00639005],[-0.645431,0.321377,-0.0132461,-0.0144739],[-0.308371,0.136551,0.0286593,-0.0153337],[-0.154043,0.0463338,0.0259872,-0.00500594],[-0.0809566,0.0196688,0.00840994,0.00252771]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.62
S298 (cal/mol*K) = 4.09
G298 (kcal/mol) = 50.41

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(128); C7H10(146)(+M)=>C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.417e+01 3.461e-01 -8.047e-02 1.484e-02 / CHEB/ 2.563e+01 5.552e-01 -9.767e-02 6.390e-03 / CHEB/ -6.454e-01 3.214e-01 -1.325e-02 -1.447e-02 / CHEB/ -3.084e-01 1.366e-01 2.866e-02 -1.533e-02 / CHEB/ -1.540e-01 4.633e-02 2.599e-02 -5.006e-03 / CHEB/ -8.096e-02 1.967e-02 8.410e-03 2.528e-03 /

2035.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.7	-6.4	-0.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-28.7	-6.0	+0.7	+3.6

Chebyshev(coeffs=[[-27.6486,0.666473,-0.144445,0.0246339],[31.5773,0.813682,-0.0546955,-0.0313994],[-0.772772,0.311053,0.0556857,-0.0250652],[-0.307426,0.0421868,0.0536543,0.00102736],[-0.117033,-0.0229372,0.0169809,0.00991738],[-0.0535764,-0.00664029,-0.00358304,0.00445821]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.21
S298 (cal/mol*K) = 45.27
G298 (kcal/mol) = 93.72

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C3H5(129); C7H10(153), C4H5(99); C7H10(153)(+M)=>C3H5(129)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.765e+01 6.665e-01 -1.444e-01 2.463e-02 / CHEB/ 3.158e+01 8.137e-01 -5.470e-02 -3.140e-02 / CHEB/ -7.728e-01 3.111e-01 5.569e-02 -2.507e-02 / CHEB/ -3.074e-01 4.219e-02 5.365e-02 1.027e-03 / CHEB/ -1.170e-01 -2.294e-02 1.698e-02 9.917e-03 / CHEB/ -5.358e-02 -6.640e-03 -3.583e-03 4.458e-03 /

2036.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.2	-4.1	+1.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-22.2	-4.0	+1.7	+4.2

Chebyshev(coeffs=[[-20.9782,0.271445,-0.0544653,0.0080196],[25.2835,0.466844,-0.0785953,0.00565215],[-0.3711,0.312854,-0.0273024,-0.00689428],[-0.235354,0.162505,0.00924544,-0.0108517],[-0.133805,0.0644703,0.0187712,-0.00637056],[-0.0701267,0.0203183,0.011143,-3.85865e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.40
S298 (cal/mol*K) = 22.35
G298 (kcal/mol) = 76.74

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(130); C7H10(153)(+M)=>H(25)+C7H9(130)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.098e+01 2.714e-01 -5.447e-02 8.020e-03 / CHEB/ 2.528e+01 4.668e-01 -7.860e-02 5.652e-03 / CHEB/ -3.711e-01 3.129e-01 -2.730e-02 -6.894e-03 / CHEB/ -2.354e-01 1.625e-01 9.245e-03 -1.085e-02 / CHEB/ -1.338e-01 6.447e-02 1.877e-02 -6.371e-03 / CHEB/ -7.013e-02 2.032e-02 1.114e-02 -3.859e-05 /

2037.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.6	-8.1	-1.5	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-30.6	-7.8	-0.8	+2.3

Chebyshev(coeffs=[[-29.3339,0.61202,-0.130989,0.0222707],[31.6736,0.795397,-0.0689882,-0.0236588],[-0.593508,0.32977,0.0440038,-0.0256709],[-0.265297,0.0599794,0.0535367,-0.00310986],[-0.106786,-0.0164969,0.0209748,0.00825179],[-0.0499337,-0.00673923,-0.00170754,0.0051458]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 106.00
S298 (cal/mol*K) = 31.93
G298 (kcal/mol) = 96.49

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(131); C7H10(153)(+M)=>H(25)+C7H9(131)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.933e+01 6.120e-01 -1.310e-01 2.227e-02 / CHEB/ 3.167e+01 7.954e-01 -6.899e-02 -2.366e-02 / CHEB/ -5.935e-01 3.298e-01 4.400e-02 -2.567e-02 / CHEB/ -2.653e-01 5.998e-02 5.354e-02 -3.110e-03 / CHEB/ -1.068e-01 -1.650e-02 2.097e-02 8.252e-03 / CHEB/ -4.993e-02 -6.739e-03 -1.708e-03 5.146e-03 /

2038.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.8	-9.7	-2.8	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-32.8	-9.3	-2.1	+1.1

Chebyshev(coeffs=[[-31.4918,0.679873,-0.147702,0.0251286],[32.6397,0.817104,-0.0508539,-0.0332694],[-0.573168,0.306072,0.0583613,-0.0247173],[-0.24678,0.0380612,0.0534158,0.00205782],[-0.0960673,-0.0242442,0.0159446,0.0102319],[-0.0461921,-0.00652849,-0.00398507,0.00424892]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(132); C7H10(153)(+M)=>H(25)+C7H9(132)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.149e+01 6.799e-01 -1.477e-01 2.513e-02 / CHEB/ 3.264e+01 8.171e-01 -5.085e-02 -3.327e-02 / CHEB/ -5.732e-01 3.061e-01 5.836e-02 -2.472e-02 / CHEB/ -2.468e-01 3.806e-02 5.342e-02 2.058e-03 / CHEB/ -9.607e-02 -2.424e-02 1.594e-02 1.023e-02 / CHEB/ -4.619e-02 -6.528e-03 -3.985e-03 4.249e-03 /

2039.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.2	-8.0	-0.8	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-32.1	-7.4	+0.1	+3.4

Chebyshev(coeffs=[[-31.0868,0.950226,-0.206773,0.0255795],[34.6065,0.798189,0.0448769,-0.0596634],[-0.730856,0.202972,0.0874567,-0.00541622],[-0.259635,-0.0188968,0.0341988,0.0170696],[-0.0882798,-0.0347042,-0.00273125,0.00935204],[-0.0445256,-0.00177142,-0.00700602,-0.000656512]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 117.15
S298 (cal/mol*K) = 45.24
G298 (kcal/mol) = 103.67

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C5H7(133); C7H10(153), C2H3(100); C7H10(153)(+M)=>C5H7(133)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.109e+01 9.502e-01 -2.068e-01 2.558e-02 / CHEB/ 3.461e+01 7.982e-01 4.488e-02 -5.966e-02 / CHEB/ -7.309e-01 2.030e-01 8.746e-02 -5.416e-03 / CHEB/ -2.596e-01 -1.890e-02 3.420e-02 1.707e-02 / CHEB/ -8.828e-02 -3.470e-02 -2.731e-03 9.352e-03 / CHEB/ -4.453e-02 -1.771e-03 -7.006e-03 -6.565e-04 /

2040.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.0	-6.4	-0.0	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-28.1	-6.2	+0.6	+3.5

Chebyshev(coeffs=[[-26.7134,0.50041,-0.10452,0.0172786],[30.2809,0.726851,-0.0876345,-0.00950416],[-0.518285,0.357041,0.0165634,-0.0226211],[-0.262629,0.101928,0.0464159,-0.010208],[-0.116547,0.00390908,0.0270362,0.00304135],[-0.0544373,-0.00421257,0.00332977,0.00534804]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.80
S298 (cal/mol*K) = 28.13
G298 (kcal/mol) = 91.42

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(134); C7H10(153)(+M)=>H(25)+C7H9(134)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.671e+01 5.004e-01 -1.045e-01 1.728e-02 / CHEB/ 3.028e+01 7.269e-01 -8.763e-02 -9.504e-03 / CHEB/ -5.183e-01 3.570e-01 1.656e-02 -2.262e-02 / CHEB/ -2.626e-01 1.019e-01 4.642e-02 -1.021e-02 / CHEB/ -1.165e-01 3.909e-03 2.704e-02 3.041e-03 / CHEB/ -5.444e-02 -4.213e-03 3.330e-03 5.348e-03 /

2041.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.0	-6.4	-0.0	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-28.1	-6.2	+0.6	+3.5

H298 (kcal/mol) = 99.80
S298 (cal/mol*K) = 28.13
G298 (kcal/mol) = 91.42

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(135); C7H10(153)(+M)=>H(25)+C7H9(135)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.671e+01 5.004e-01 -1.045e-01 1.728e-02 / CHEB/ 3.028e+01 7.269e-01 -8.763e-02 -9.504e-03 / CHEB/ -5.183e-01 3.570e-01 1.656e-02 -2.262e-02 / CHEB/ -2.626e-01 1.019e-01 4.642e-02 -1.021e-02 / CHEB/ -1.165e-01 3.909e-03 2.704e-02 3.041e-03 / CHEB/ -5.444e-02 -4.213e-03 3.330e-03 5.348e-03 /

2042.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.8	-9.2	-2.2	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-32.7	-8.7	-1.4	+1.9

Chebyshev(coeffs=[[-31.4464,0.733298,-0.160663,0.0268466],[33.3254,0.825572,-0.0340896,-0.0405684],[-0.554967,0.285699,0.0678245,-0.0225471],[-0.233539,0.0230661,0.0515047,0.00603633],[-0.0886189,-0.0284499,0.0118149,0.0110763],[-0.0436837,-0.00587515,-0.00530857,0.00331562]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.20
S298 (cal/mol*K) = 28.81
G298 (kcal/mol) = 102.61

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(136); C7H10(153)(+M)=>H(25)+C7H9(136)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.145e+01 7.333e-01 -1.607e-01 2.685e-02 / CHEB/ 3.333e+01 8.256e-01 -3.409e-02 -4.057e-02 / CHEB/ -5.550e-01 2.857e-01 6.782e-02 -2.255e-02 / CHEB/ -2.335e-01 2.307e-02 5.150e-02 6.036e-03 / CHEB/ -8.862e-02 -2.845e-02 1.181e-02 1.108e-02 / CHEB/ -4.368e-02 -5.875e-03 -5.309e-03 3.316e-03 /

2043.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.5	-5.4	+0.7	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-5.1	+1.3	+4.1

Chebyshev(coeffs=[[-25.2799,0.492236,-0.102626,0.0169089],[29.5909,0.720299,-0.0884279,-0.00859693],[-0.637413,0.358108,0.0145331,-0.0222063],[-0.29941,0.105065,0.0455274,-0.0105887],[-0.129614,0.00578621,0.0272814,0.00260504],[-0.0591782,-0.00382022,0.0037288,0.0052827]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.58
S298 (cal/mol*K) = 37.06
G298 (kcal/mol) = 86.54

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), CH2(137); C7H10(153), C6H8(94); C7H10(153)(+M)=>CH2(137)+C6H8(94)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.528e+01 4.922e-01 -1.026e-01 1.691e-02 / CHEB/ 2.959e+01 7.203e-01 -8.843e-02 -8.597e-03 / CHEB/ -6.374e-01 3.581e-01 1.453e-02 -2.221e-02 / CHEB/ -2.994e-01 1.051e-01 4.553e-02 -1.059e-02 / CHEB/ -1.296e-01 5.786e-03 2.728e-02 2.605e-03 / CHEB/ -5.918e-02 -3.820e-03 3.729e-03 5.283e-03 /

2044.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-0.3	+3.7	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-0.3	+3.8	+5.7

Chebyshev(coeffs=[[-12.5159,0.118414,-0.0242343,0.00315222],[18.361,0.220095,-0.0427524,0.00468788],[-0.232824,0.177955,-0.0284764,0.000953567],[-0.151762,0.125074,-0.0125496,-0.0023719],[-0.101104,0.076499,-0.000857561,-0.00366629],[-0.0626296,0.0407437,0.00452404,-0.0029989]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.88
S298 (cal/mol*K) = 8.73
G298 (kcal/mol) = 51.28

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(138); C7H10(153)(+M)=>C7H10(138)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.252e+01 1.184e-01 -2.423e-02 3.152e-03 / CHEB/ 1.836e+01 2.201e-01 -4.275e-02 4.688e-03 / CHEB/ -2.328e-01 1.780e-01 -2.848e-02 9.536e-04 / CHEB/ -1.518e-01 1.251e-01 -1.255e-02 -2.372e-03 / CHEB/ -1.011e-01 7.650e-02 -8.576e-04 -3.666e-03 / CHEB/ -6.263e-02 4.074e-02 4.524e-03 -2.999e-03 /

2045.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.0	-3.4	+2.2	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-22.0	-3.3	+2.5	+5.1

Chebyshev(coeffs=[[-20.725,0.297272,-0.0598704,0.00897664],[25.9287,0.503256,-0.0826099,0.00502978],[-0.416176,0.326532,-0.0243969,-0.0087143],[-0.250504,0.160628,0.013998,-0.0117851],[-0.136661,0.0582519,0.0212784,-0.00594455],[-0.0696522,0.0163652,0.0109516,0.000773171]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.70
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = 76.47

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(139); C7H10(153)(+M)=>C7H10(139)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.073e+01 2.973e-01 -5.987e-02 8.977e-03 / CHEB/ 2.593e+01 5.033e-01 -8.261e-02 5.030e-03 / CHEB/ -4.162e-01 3.265e-01 -2.440e-02 -8.714e-03 / CHEB/ -2.505e-01 1.606e-01 1.400e-02 -1.179e-02 / CHEB/ -1.367e-01 5.825e-02 2.128e-02 -5.945e-03 / CHEB/ -6.965e-02 1.637e-02 1.095e-02 7.732e-04 /

2046.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.6	-3.1	+2.4	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-21.6	-3.0	+2.8	+5.3

Chebyshev(coeffs=[[-20.3771,0.297504,-0.0599185,0.00898467],[25.8416,0.503582,-0.0826453,0.00502401],[-0.436631,0.326644,-0.0243671,-0.00873139],[-0.2567,0.160602,0.0140418,-0.0117928],[-0.138667,0.0581925,0.0212995,-0.00593954],[-0.0703372,0.0163302,0.0109485,0.000780639]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.57
S298 (cal/mol*K) = 12.33
G298 (kcal/mol) = 75.90

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(140); C7H10(153)(+M)=>C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.038e+01 2.975e-01 -5.992e-02 8.985e-03 / CHEB/ 2.584e+01 5.036e-01 -8.265e-02 5.024e-03 / CHEB/ -4.366e-01 3.266e-01 -2.437e-02 -8.731e-03 / CHEB/ -2.567e-01 1.606e-01 1.404e-02 -1.179e-02 / CHEB/ -1.387e-01 5.819e-02 2.130e-02 -5.940e-03 / CHEB/ -7.034e-02 1.633e-02 1.095e-02 7.806e-04 /

2047.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-2.9	+2.3	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-2.9	+2.6	+5.1

Chebyshev(coeffs=[[-19.0976,0.244765,-0.0479408,0.00671836],[24.1896,0.429258,-0.0728887,0.00588873],[-0.301432,0.299144,-0.029694,-0.00491832],[-0.217677,0.165313,0.00411137,-0.00949234],[-0.131048,0.0718127,0.0157654,-0.00653659],[-0.0711248,0.0249487,0.011241,-0.000914834]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 63.38
S298 (cal/mol*K) = 9.38
G298 (kcal/mol) = 60.59

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(141); C7H10(153)(+M)=>C7H10(141)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.910e+01 2.448e-01 -4.794e-02 6.718e-03 / CHEB/ 2.419e+01 4.293e-01 -7.289e-02 5.889e-03 / CHEB/ -3.014e-01 2.991e-01 -2.969e-02 -4.918e-03 / CHEB/ -2.177e-01 1.653e-01 4.111e-03 -9.492e-03 / CHEB/ -1.310e-01 7.181e-02 1.577e-02 -6.537e-03 / CHEB/ -7.112e-02 2.495e-02 1.124e-02 -9.148e-04 /

2048.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.2	-6.5	-0.3	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-6.3	+0.2	+3.1

Chebyshev(coeffs=[[-25.8427,0.432224,-0.0875891,0.0138181],[28.9441,0.669134,-0.0912946,-0.00251177],[-0.468911,0.36473,-0.000135577,-0.018344],[-0.263207,0.129417,0.0376421,-0.012625],[-0.125541,0.0212346,0.0282478,-0.000684131],[-0.0591446,-0.00038864,0.00679208,0.00445625]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.70
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = 76.47

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(142); C7H10(153)(+M)=>C7H10(142)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.584e+01 4.322e-01 -8.759e-02 1.382e-02 / CHEB/ 2.894e+01 6.691e-01 -9.129e-02 -2.512e-03 / CHEB/ -4.689e-01 3.647e-01 -1.356e-04 -1.834e-02 / CHEB/ -2.632e-01 1.294e-01 3.764e-02 -1.262e-02 / CHEB/ -1.255e-01 2.123e-02 2.825e-02 -6.841e-04 / CHEB/ -5.914e-02 -3.886e-04 6.792e-03 4.456e-03 /

2049.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.1	-4.1	+1.3	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-22.2	-4.0	+1.6	+4.1

Chebyshev(coeffs=[[-21.0891,0.0893832,-0.171691,-0.0408456],[25.3507,0.631792,0.00405486,0.0335198],[-0.477153,0.298436,-0.0352338,-0.00692766],[-0.251982,0.151542,0.00241799,-0.0146028],[-0.126533,0.074634,0.0250549,-0.0045616],[-0.0628783,0.0309278,0.0180425,0.00330469]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.77
S298 (cal/mol*K) = 11.91
G298 (kcal/mol) = 78.22

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(143); C7H10(153)(+M)=>C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.109e+01 8.938e-02 -1.717e-01 -4.085e-02 / CHEB/ 2.535e+01 6.318e-01 4.055e-03 3.352e-02 / CHEB/ -4.772e-01 2.984e-01 -3.523e-02 -6.928e-03 / CHEB/ -2.520e-01 1.515e-01 2.418e-03 -1.460e-02 / CHEB/ -1.265e-01 7.463e-02 2.505e-02 -4.562e-03 / CHEB/ -6.288e-02 3.093e-02 1.804e-02 3.305e-03 /

2050.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.1	-4.0	+1.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-21.1	-4.0	+1.3	+3.6

Chebyshev(coeffs=[[-19.9625,0.236954,-0.0473563,0.0067832],[23.7809,0.415739,-0.0722097,0.00607401],[-0.418303,0.290729,-0.0300955,-0.00462104],[-0.246721,0.161959,0.00309199,-0.00927886],[-0.139261,0.0715717,0.0149053,-0.00653988],[-0.0738356,0.0257507,0.0109337,-0.00107609]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.57
S298 (cal/mol*K) = 15.03
G298 (kcal/mol) = 72.10

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(144); C7H10(153)(+M)=>C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.996e+01 2.370e-01 -4.736e-02 6.783e-03 / CHEB/ 2.378e+01 4.157e-01 -7.221e-02 6.074e-03 / CHEB/ -4.183e-01 2.907e-01 -3.010e-02 -4.621e-03 / CHEB/ -2.467e-01 1.620e-01 3.092e-03 -9.279e-03 / CHEB/ -1.393e-01 7.157e-02 1.491e-02 -6.540e-03 / CHEB/ -7.384e-02 2.575e-02 1.093e-02 -1.076e-03 /

2051.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-3.5	+1.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-3.5	+1.1	+3.2

Chebyshev(coeffs=[[-16.9187,0.147707,-0.0297525,0.00393827],[20.2365,0.271035,-0.05093,0.00531732],[-0.243178,0.21143,-0.030697,-9.85528e-06],[-0.171185,0.140291,-0.00999652,-0.00407473],[-0.111602,0.0793404,0.00305081,-0.00478988],[-0.0668062,0.0384076,0.00708676,-0.00292278]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.20
S298 (cal/mol*K) = 3.63
G298 (kcal/mol) = 63.12

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(145); C7H10(153)(+M)=>C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.692e+01 1.477e-01 -2.975e-02 3.938e-03 / CHEB/ 2.024e+01 2.710e-01 -5.093e-02 5.317e-03 / CHEB/ -2.432e-01 2.114e-01 -3.070e-02 -9.855e-06 / CHEB/ -1.712e-01 1.403e-01 -9.997e-03 -4.075e-03 / CHEB/ -1.116e-01 7.934e-02 3.051e-03 -4.790e-03 / CHEB/ -6.681e-02 3.841e-02 7.087e-03 -2.923e-03 /

2052.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.2	-2.9	+1.9	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-2.9	+2.1	+4.4

Chebyshev(coeffs=[[-16.9391,0.186714,-0.0343318,0.00419213],[21.1205,0.339782,-0.0573097,0.00512005],[-0.0720586,0.258119,-0.0312831,-0.00135844],[-0.14578,0.163227,-0.00613808,-0.00571715],[-0.113187,0.0853684,0.00774305,-0.00558411],[-0.0702183,0.0365642,0.00989357,-0.00248902]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.98
S298 (cal/mol*K) = 7.43
G298 (kcal/mol) = 59.77

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(146); C7H10(153)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.694e+01 1.867e-01 -3.433e-02 4.192e-03 / CHEB/ 2.112e+01 3.398e-01 -5.731e-02 5.120e-03 / CHEB/ -7.206e-02 2.581e-01 -3.128e-02 -1.358e-03 / CHEB/ -1.458e-01 1.632e-01 -6.138e-03 -5.717e-03 / CHEB/ -1.132e-01 8.537e-02 7.743e-03 -5.584e-03 / CHEB/ -7.022e-02 3.656e-02 9.894e-03 -2.489e-03 /

2053.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	-1.4	+2.4	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-1.4	+2.5	+4.3

Chebyshev(coeffs=[[-12.7767,0.101108,-0.0210176,0.00272817],[17.147,0.189316,-0.0376821,0.00426894],[-0.191599,0.156348,-0.0265216,0.00136022],[-0.132862,0.113736,-0.0134222,-0.00147442],[-0.0907763,0.0729062,-0.00296653,-0.0029379],[-0.057823,0.0411373,0.00270807,-0.00284603]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.10
S298 (cal/mol*K) = 3.98
G298 (kcal/mol) = 52.92

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(147); C7H10(153)(+M)=>C7H10(147)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.278e+01 1.011e-01 -2.102e-02 2.728e-03 / CHEB/ 1.715e+01 1.893e-01 -3.768e-02 4.269e-03 / CHEB/ -1.916e-01 1.563e-01 -2.652e-02 1.360e-03 / CHEB/ -1.329e-01 1.137e-01 -1.342e-02 -1.474e-03 / CHEB/ -9.078e-02 7.291e-02 -2.967e-03 -2.938e-03 / CHEB/ -5.782e-02 4.114e-02 2.708e-03 -2.846e-03 /

2054.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	+0.6	+3.4	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+0.6	+3.5	+4.8

Chebyshev(coeffs=[[-7.52333,0.054354,-0.0123002,0.0016854],[12.3658,0.103827,-0.0229329,0.00293713],[-0.124573,0.0908646,-0.0185307,0.00175831],[-0.0804585,0.0727512,-0.0126611,0.000313591],[-0.0577647,0.0531997,-0.0069369,-0.000878904],[-0.0396201,0.0353014,-0.00261801,-0.0014863]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.60
S298 (cal/mol*K) = -3.25
G298 (kcal/mol) = 39.57

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(148); C7H10(153)(+M)=>C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.523e+00 5.435e-02 -1.230e-02 1.685e-03 / CHEB/ 1.237e+01 1.038e-01 -2.293e-02 2.937e-03 / CHEB/ -1.246e-01 9.086e-02 -1.853e-02 1.758e-03 / CHEB/ -8.046e-02 7.275e-02 -1.266e-02 3.136e-04 / CHEB/ -5.776e-02 5.320e-02 -6.937e-03 -8.789e-04 / CHEB/ -3.962e-02 3.530e-02 -2.618e-03 -1.486e-03 /

2055.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-4.2	+0.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-21.3	-4.2	+1.1	+3.4

Chebyshev(coeffs=[[-20.1803,0.236765,-0.0473186,0.00677712],[23.8013,0.415448,-0.0721706,0.00607456],[-0.412622,0.290595,-0.030107,-0.00460923],[-0.244853,0.161945,0.00305906,-0.00926922],[-0.138664,0.0716061,0.0148825,-0.00653944],[-0.0736438,0.0257807,0.0109308,-0.00108152]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.70
S298 (cal/mol*K) = 13.55
G298 (kcal/mol) = 72.67

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(75); C7H10(153)(+M)=>C7H10(75)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.018e+01 2.368e-01 -4.732e-02 6.777e-03 / CHEB/ 2.380e+01 4.154e-01 -7.217e-02 6.075e-03 / CHEB/ -4.126e-01 2.906e-01 -3.011e-02 -4.609e-03 / CHEB/ -2.449e-01 1.619e-01 3.059e-03 -9.269e-03 / CHEB/ -1.387e-01 7.161e-02 1.488e-02 -6.539e-03 / CHEB/ -7.364e-02 2.578e-02 1.093e-02 -1.082e-03 /

2056.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-2.2	+1.9	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-15.9	-2.2	+2.1	+4.0

Chebyshev(coeffs=[[-14.8959,0.131115,-0.0266139,0.00348266],[19.0569,0.242368,-0.046361,0.00497485],[-0.273403,0.192942,-0.0296018,0.000575995],[-0.171437,0.132253,-0.0115931,-0.00308886],[-0.109591,0.0781801,0.000801045,-0.00417481],[-0.0659621,0.0399394,0.0057187,-0.00301245]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.78
S298 (cal/mol*K) = 5.95
G298 (kcal/mol) = 59.01

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(149); C7H10(153)(+M)=>C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.490e+01 1.311e-01 -2.661e-02 3.483e-03 / CHEB/ 1.906e+01 2.424e-01 -4.636e-02 4.975e-03 / CHEB/ -2.734e-01 1.929e-01 -2.960e-02 5.760e-04 / CHEB/ -1.714e-01 1.323e-01 -1.159e-02 -3.089e-03 / CHEB/ -1.096e-01 7.818e-02 8.010e-04 -4.175e-03 / CHEB/ -6.596e-02 3.994e-02 5.719e-03 -3.012e-03 /

2057.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	+2.0	+5.5	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-9.0	+1.9	+5.6	+7.3

Chebyshev(coeffs=[[-8.09529,0.08531,-0.0175331,0.00219939],[15.2623,0.161141,-0.0319493,0.00360773],[-0.0325315,0.136408,-0.0238099,0.00154909],[-0.0790383,0.103269,-0.0136683,-0.000679521],[-0.0703692,0.0698094,-0.00479325,-0.00214643],[-0.0503168,0.0419604,0.000813102,-0.00251012]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.09
S298 (cal/mol*K) = -1.57
G298 (kcal/mol) = 9.56

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(150); C7H10(153)(+M)=>C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.095e+00 8.531e-02 -1.753e-02 2.199e-03 / CHEB/ 1.526e+01 1.611e-01 -3.195e-02 3.608e-03 / CHEB/ -3.253e-02 1.364e-01 -2.381e-02 1.549e-03 / CHEB/ -7.904e-02 1.033e-01 -1.367e-02 -6.795e-04 / CHEB/ -7.037e-02 6.981e-02 -4.793e-03 -2.146e-03 / CHEB/ -5.032e-02 4.196e-02 8.131e-04 -2.510e-03 /

2058.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	+0.6	+4.8	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-13.1	+0.5	+4.9	+6.9

Chebyshev(coeffs=[[-12.0977,0.12546,-0.025552,0.00333354],[19.0717,0.232484,-0.0447658,0.00484931],[-0.187407,0.186359,-0.0291321,0.000752041],[-0.142135,0.129171,-0.0120497,-0.00276452],[-0.0991443,0.0775233,5.35197e-05,-0.00395175],[-0.0621921,0.0403432,0.00520216,-0.00301592]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.92
S298 (cal/mol*K) = 13.04
G298 (kcal/mol) = 56.04

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(151); C7H10(153)(+M)=>C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.210e+01 1.255e-01 -2.555e-02 3.334e-03 / CHEB/ 1.907e+01 2.325e-01 -4.477e-02 4.849e-03 / CHEB/ -1.874e-01 1.864e-01 -2.913e-02 7.520e-04 / CHEB/ -1.421e-01 1.292e-01 -1.205e-02 -2.765e-03 / CHEB/ -9.914e-02 7.752e-02 5.352e-05 -3.952e-03 / CHEB/ -6.219e-02 4.034e-02 5.202e-03 -3.016e-03 /

2059.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	+0.7	+6.2	+8.5
log₁₀(k(10 bar)/[mole,m,s])	-17.7	+0.7	+6.5	+9.1

Chebyshev(coeffs=[[-16.3536,0.290527,-0.0563208,0.00800124],[25.4777,0.498065,-0.080224,0.00513288],[-0.317748,0.329629,-0.0256218,-0.00778634],[-0.229833,0.166803,0.0121969,-0.0113201],[-0.133224,0.062659,0.0207311,-0.00615941],[-0.0695287,0.0176709,0.011467,0.000441431]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.76
S298 (cal/mol*K) = 25.96
G298 (kcal/mol) = 71.02

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(152); C7H10(153)(+M)=>C7H10(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.635e+01 2.905e-01 -5.632e-02 8.001e-03 / CHEB/ 2.548e+01 4.981e-01 -8.022e-02 5.133e-03 / CHEB/ -3.177e-01 3.296e-01 -2.562e-02 -7.786e-03 / CHEB/ -2.298e-01 1.668e-01 1.220e-02 -1.132e-02 / CHEB/ -1.332e-01 6.266e-02 2.073e-02 -6.159e-03 / CHEB/ -6.953e-02 1.767e-02 1.147e-02 4.414e-04 /

2060.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-1.1	+4.4	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-1.0	+4.7	+7.2

Chebyshev(coeffs=[[-18.1378,0.276174,-0.0554506,0.00819337],[25.4641,0.473629,-0.0793796,0.0055576],[-0.367248,0.315541,-0.0268213,-0.00722077],[-0.234466,0.1623,0.0101092,-0.0110389],[-0.133186,0.0633817,0.0192565,-0.00631107],[-0.0696486,0.0195834,0.0111288,0.000108867]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.76
S298 (cal/mol*K) = 25.96
G298 (kcal/mol) = 71.02

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(153); C7H10(153)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.814e+01 2.762e-01 -5.545e-02 8.193e-03 / CHEB/ 2.546e+01 4.736e-01 -7.938e-02 5.558e-03 / CHEB/ -3.672e-01 3.155e-01 -2.682e-02 -7.221e-03 / CHEB/ -2.345e-01 1.623e-01 1.011e-02 -1.104e-02 / CHEB/ -1.332e-01 6.338e-02 1.926e-02 -6.311e-03 / CHEB/ -6.965e-02 1.958e-02 1.113e-02 1.089e-04 /

2061.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-2.4	+2.9	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-2.3	+3.2	+5.6

Chebyshev(coeffs=[[-18.9094,0.262815,-0.052672,0.00770373],[24.6712,0.454334,-0.0771108,0.00580343],[-0.43774,0.30774,-0.0281199,-0.00630748],[-0.254911,0.162709,0.00768063,-0.0104922],[-0.140756,0.0663905,0.0178574,-0.00645701],[-0.0730201,0.0216679,0.0111434,-0.000305078]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.24
S298 (cal/mol*K) = 25.51
G298 (kcal/mol) = 68.64

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(154); C7H10(153)(+M)=>C7H10(154)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.891e+01 2.628e-01 -5.267e-02 7.704e-03 / CHEB/ 2.467e+01 4.543e-01 -7.711e-02 5.803e-03 / CHEB/ -4.377e-01 3.077e-01 -2.812e-02 -6.307e-03 / CHEB/ -2.549e-01 1.627e-01 7.681e-03 -1.049e-02 / CHEB/ -1.408e-01 6.639e-02 1.786e-02 -6.457e-03 / CHEB/ -7.302e-02 2.167e-02 1.114e-02 -3.051e-04 /

2062.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.0	-4.3	+1.3	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-23.0	-4.2	+1.6	+4.2

Chebyshev(coeffs=[[-21.7568,0.301746,-0.0608168,0.00914773],[26.0802,0.509374,-0.0832243,0.00488927],[-0.415022,0.328658,-0.0238303,-0.00903539],[-0.249691,0.160128,0.0148226,-0.0119225],[-0.13608,0.0571166,0.0216756,-0.00584691],[-0.0692259,0.0156981,0.0108926,0.000913701]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.51
S298 (cal/mol*K) = 6.70
G298 (kcal/mol) = 79.51

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(155); C7H10(153)(+M)=>C7H10(155)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.176e+01 3.017e-01 -6.082e-02 9.148e-03 / CHEB/ 2.608e+01 5.094e-01 -8.322e-02 4.889e-03 / CHEB/ -4.150e-01 3.287e-01 -2.383e-02 -9.035e-03 / CHEB/ -2.497e-01 1.601e-01 1.482e-02 -1.192e-02 / CHEB/ -1.361e-01 5.712e-02 2.168e-02 -5.847e-03 / CHEB/ -6.923e-02 1.570e-02 1.089e-02 9.137e-04 /

2064.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.2	-4.7	+0.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-23.3	-4.4	+1.6	+4.3

Chebyshev(coeffs=[[-22.0959,0.485047,-0.104441,0.00801124],[26.125,0.750564,-0.115259,-0.0133579],[-0.424724,0.392402,-0.0053872,-0.0269022],[-0.193303,0.114161,0.0431813,-0.0160173],[-0.0535439,-0.0150697,0.0352767,0.000415093],[0.00186775,-0.0388781,0.0102615,0.00764775]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.60
S298 (cal/mol*K) = 23.61
G298 (kcal/mol) = 78.56

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), H(25); C7H10(65), C7H9(247); C7H10(65)(+M)=>H(25)+C7H9(247)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.210e+01 4.850e-01 -1.044e-01 8.011e-03 / CHEB/ 2.613e+01 7.506e-01 -1.153e-01 -1.336e-02 / CHEB/ -4.247e-01 3.924e-01 -5.387e-03 -2.690e-02 / CHEB/ -1.933e-01 1.142e-01 4.318e-02 -1.602e-02 / CHEB/ -5.354e-02 -1.507e-02 3.528e-02 4.151e-04 / CHEB/ 1.868e-03 -3.888e-02 1.026e-02 7.648e-03 /

2065.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.6	-9.7	-2.6	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-32.5	-9.0	-1.7	+1.8

Chebyshev(coeffs=[[-31.3417,0.928999,-0.22448,0.0248072],[32.7667,0.754776,0.0363206,-0.0678096],[-0.467561,0.24008,0.0812948,-0.0140755],[-0.153684,0.00621695,0.0413212,0.0142978],[-0.0200557,-0.0478274,0.002414,0.0133869],[0.014406,-0.0305648,-0.0116583,0.00328904]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 30.61
G298 (kcal/mol) = 99.88

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), H(25); C7H10(65), C7H9(248); C7H10(65)(+M)=>H(25)+C7H9(248)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.134e+01 9.290e-01 -2.245e-01 2.481e-02 / CHEB/ 3.277e+01 7.548e-01 3.632e-02 -6.781e-02 / CHEB/ -4.676e-01 2.401e-01 8.129e-02 -1.408e-02 / CHEB/ -1.537e-01 6.217e-03 4.132e-02 1.430e-02 / CHEB/ -2.006e-02 -4.783e-02 2.414e-03 1.339e-02 / CHEB/ 1.441e-02 -3.056e-02 -1.166e-02 3.289e-03 /

2066.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.6	-9.7	-2.6	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-32.5	-9.0	-1.7	+1.8

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 30.61
G298 (kcal/mol) = 99.88

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), H(25); C7H10(65), C7H9(249); C7H10(65)(+M)=>H(25)+C7H9(249)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.134e+01 9.290e-01 -2.245e-01 2.481e-02 / CHEB/ 3.277e+01 7.548e-01 3.632e-02 -6.781e-02 / CHEB/ -4.676e-01 2.401e-01 8.129e-02 -1.408e-02 / CHEB/ -1.537e-01 6.217e-03 4.132e-02 1.430e-02 / CHEB/ -2.006e-02 -4.783e-02 2.414e-03 1.339e-02 / CHEB/ 1.441e-02 -3.056e-02 -1.166e-02 3.289e-03 /

2067.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.1	-1.6	+2.9	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-1.5	+3.3	+5.5

Chebyshev(coeffs=[[-16.1333,0.320695,-0.0677014,0.00176471],[21.6302,0.563733,-0.108362,-0.0018507],[-0.480812,0.380455,-0.0503979,-0.0104725],[-0.232751,0.185746,0.000111442,-0.0130199],[-0.0949724,0.0495157,0.0218472,-0.00792331],[-0.0247084,-0.0128546,0.019104,-0.00050617]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.11
S298 (cal/mol*K) = 11.62
G298 (kcal/mol) = 62.65

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(31); C7H10(65)(+M)=>C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.613e+01 3.207e-01 -6.770e-02 1.765e-03 / CHEB/ 2.163e+01 5.637e-01 -1.084e-01 -1.851e-03 / CHEB/ -4.808e-01 3.805e-01 -5.040e-02 -1.047e-02 / CHEB/ -2.328e-01 1.857e-01 1.114e-04 -1.302e-02 / CHEB/ -9.497e-02 4.952e-02 2.185e-02 -7.923e-03 / CHEB/ -2.471e-02 -1.285e-02 1.910e-02 -5.062e-04 /

2068.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	+1.1	+5.0	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-11.9	+1.1	+5.2	+7.1

Chebyshev(coeffs=[[-10.9453,0.212378,-0.0463422,0.000629026],[17.9585,0.389993,-0.0815652,-0.000320166],[-0.263533,0.299811,-0.0538883,-0.00369749],[-0.179804,0.188048,-0.0226592,-0.00607245],[-0.100294,0.0895129,0.000319893,-0.00568496],[-0.0428731,0.0244782,0.0105425,-0.00312782]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.26
S298 (cal/mol*K) = 4.29
G298 (kcal/mol) = 51.99

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(28); C7H10(65)(+M)=>C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.095e+01 2.124e-01 -4.634e-02 6.290e-04 / CHEB/ 1.796e+01 3.900e-01 -8.157e-02 -3.202e-04 / CHEB/ -2.635e-01 2.998e-01 -5.389e-02 -3.697e-03 / CHEB/ -1.798e-01 1.880e-01 -2.266e-02 -6.072e-03 / CHEB/ -1.003e-01 8.951e-02 3.199e-04 -5.685e-03 / CHEB/ -4.287e-02 2.448e-02 1.054e-02 -3.128e-03 /

2069.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.9	-9.6	-3.1	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-30.9	-9.1	-2.3	+0.9

Chebyshev(coeffs=[[-29.8033,0.755258,-0.184792,0.02692],[30.3878,0.798029,-0.0320261,-0.0553359],[-0.498828,0.298633,0.0629333,-0.0286194],[-0.169087,0.0338344,0.0523015,0.00449957],[-0.0287198,-0.0445648,0.015477,0.0136189],[0.0105258,-0.0359048,-0.00697236,0.00720216]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.66
S298 (cal/mol*K) = 9.91
G298 (kcal/mol) = 73.71

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(250); C7H10(65)(+M)=>C7H10(250)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.980e+01 7.553e-01 -1.848e-01 2.692e-02 / CHEB/ 3.039e+01 7.980e-01 -3.203e-02 -5.534e-02 / CHEB/ -4.988e-01 2.986e-01 6.293e-02 -2.862e-02 / CHEB/ -1.691e-01 3.383e-02 5.230e-02 4.500e-03 / CHEB/ -2.872e-02 -4.456e-02 1.548e-02 1.362e-02 / CHEB/ 1.053e-02 -3.590e-02 -6.972e-03 7.202e-03 /

2070.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.6	-7.1	-1.6	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-25.7	-6.9	-1.0	+1.7

Chebyshev(coeffs=[[-24.5584,0.483249,-0.105331,0.00855805],[26.0477,0.744803,-0.114838,-0.0136065],[-0.487294,0.390828,-0.00611916,-0.0268733],[-0.202224,0.115329,0.0421871,-0.0160021],[-0.0552306,-0.0138685,0.0350247,0.000218668],[4.73625e-06,-0.0384281,0.0105267,0.00747877]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.66
S298 (cal/mol*K) = 9.91
G298 (kcal/mol) = 73.71

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(29); C7H10(65)(+M)=>C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.456e+01 4.832e-01 -1.053e-01 8.558e-03 / CHEB/ 2.605e+01 7.448e-01 -1.148e-01 -1.361e-02 / CHEB/ -4.873e-01 3.908e-01 -6.119e-03 -2.687e-02 / CHEB/ -2.022e-01 1.153e-01 4.219e-02 -1.600e-02 / CHEB/ -5.523e-02 -1.387e-02 3.502e-02 2.187e-04 / CHEB/ 4.736e-06 -3.843e-02 1.053e-02 7.479e-03 /

2071.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.6	-8.1	-2.3	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-7.8	-1.6	+1.3

Chebyshev(coeffs=[[-26.53,0.565062,-0.128499,0.0147305],[27.5489,0.788133,-0.0990526,-0.0253261],[-0.490169,0.36614,0.0203526,-0.0321462],[-0.191279,0.082152,0.0522352,-0.0110879],[-0.0447528,-0.0298631,0.0308275,0.00628139],[0.00486411,-0.0395175,0.00351426,0.00916319]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.66
S298 (cal/mol*K) = 9.91
G298 (kcal/mol) = 73.71

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(30); C7H10(65)(+M)=>C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.653e+01 5.651e-01 -1.285e-01 1.473e-02 / CHEB/ 2.755e+01 7.881e-01 -9.905e-02 -2.533e-02 / CHEB/ -4.902e-01 3.661e-01 2.035e-02 -3.215e-02 / CHEB/ -1.913e-01 8.215e-02 5.224e-02 -1.109e-02 / CHEB/ -4.475e-02 -2.986e-02 3.083e-02 6.281e-03 / CHEB/ 4.864e-03 -3.952e-02 3.514e-03 9.163e-03 /

2072.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-1.1	+2.1	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-1.1	+2.3	+3.8

Chebyshev(coeffs=[[-10.7043,0.1491,-0.0332395,0.000166272],[14.3836,0.279349,-0.0606443,-0.000303583],[-0.141055,0.228706,-0.0453474,-0.00179245],[-0.130084,0.161341,-0.0260551,-0.00318986],[-0.0886392,0.0950459,-0.00879778,-0.00370647],[-0.0490657,0.043634,0.00236682,-0.00319788]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.41
S298 (cal/mol*K) = -5.80
G298 (kcal/mol) = 42.14

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(33); C7H10(65)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.070e+01 1.491e-01 -3.324e-02 1.663e-04 / CHEB/ 1.438e+01 2.793e-01 -6.064e-02 -3.036e-04 / CHEB/ -1.411e-01 2.287e-01 -4.535e-02 -1.792e-03 / CHEB/ -1.301e-01 1.613e-01 -2.606e-02 -3.190e-03 / CHEB/ -8.864e-02 9.505e-02 -8.798e-03 -3.706e-03 / CHEB/ -4.907e-02 4.363e-02 2.367e-03 -3.198e-03 /

2073.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.7	-3.2	+1.3	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-18.7	-3.1	+1.7	+3.9

Chebyshev(coeffs=[[-17.7727,0.324712,-0.0684661,0.00180219],[21.6414,0.569789,-0.109151,-0.0019492],[-0.470181,0.382376,-0.0498299,-0.0108067],[-0.239283,0.184567,0.00127918,-0.0132824],[-0.0977263,0.0475586,0.0226276,-0.0079149],[-0.023962,-0.0140873,0.0191921,-0.000328298]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.11
S298 (cal/mol*K) = 13.00
G298 (kcal/mol) = 62.24

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(35); C7H10(65)(+M)=>C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.777e+01 3.247e-01 -6.847e-02 1.802e-03 / CHEB/ 2.164e+01 5.698e-01 -1.092e-01 -1.949e-03 / CHEB/ -4.702e-01 3.824e-01 -4.983e-02 -1.081e-02 / CHEB/ -2.393e-01 1.846e-01 1.279e-03 -1.328e-02 / CHEB/ -9.773e-02 4.756e-02 2.263e-02 -7.915e-03 / CHEB/ -2.396e-02 -1.409e-02 1.919e-02 -3.283e-04 /

2074.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.2	-1.9	+3.6	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-1.7	+4.2	+6.8

Chebyshev(coeffs=[[-19.1115,0.465037,-0.100192,0.00713857],[25.723,0.732341,-0.117171,-0.0112754],[-0.450701,0.394831,-0.0121273,-0.0252015],[-0.201465,0.123105,0.0390598,-0.0166478],[-0.0580042,-0.00924116,0.0353232,-0.00114886],[-0.000621597,-0.0375364,0.0120578,0.00684509]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.65
S298 (cal/mol*K) = 24.16
G298 (kcal/mol) = 75.46

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(115); C7H10(65)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.911e+01 4.650e-01 -1.002e-01 7.139e-03 / CHEB/ 2.572e+01 7.323e-01 -1.172e-01 -1.128e-02 / CHEB/ -4.507e-01 3.948e-01 -1.213e-02 -2.520e-02 / CHEB/ -2.015e-01 1.231e-01 3.906e-02 -1.665e-02 / CHEB/ -5.800e-02 -9.241e-03 3.532e-02 -1.149e-03 / CHEB/ -6.216e-04 -3.754e-02 1.206e-02 6.845e-03 /

2075.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	+2.8	+6.8	+8.5
log₁₀(k(10 bar)/[mole,m,s])	-10.2	+2.9	+7.0	+9.0

Chebyshev(coeffs=[[-9.33287,0.216237,-0.0471064,0.00065741],[18.2022,0.396572,-0.0827048,-0.000339357],[-0.290719,0.303654,-0.0541604,-0.00385907],[-0.178293,0.189031,-0.0221911,-0.00628929],[-0.0976854,0.0886945,0.00100899,-0.00581091],[-0.0424492,0.0231712,0.0109985,-0.00309482]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.01
S298 (cal/mol*K) = 20.20
G298 (kcal/mol) = 50.99

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(108); C7H10(65)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.333e+00 2.162e-01 -4.711e-02 6.574e-04 / CHEB/ 1.820e+01 3.966e-01 -8.270e-02 -3.394e-04 / CHEB/ -2.907e-01 3.037e-01 -5.416e-02 -3.859e-03 / CHEB/ -1.783e-01 1.890e-01 -2.219e-02 -6.289e-03 / CHEB/ -9.769e-02 8.869e-02 1.009e-03 -5.811e-03 / CHEB/ -4.245e-02 2.317e-02 1.100e-02 -3.095e-03 /

2076.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.2	-4.4	+1.9	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-25.2	-3.9	+2.7	+5.8

Chebyshev(coeffs=[[-24.1022,0.712121,-0.172504,0.0251141],[29.6319,0.803832,-0.0492222,-0.0493349],[-0.531207,0.313473,0.0558247,-0.0310263],[-0.183964,0.0420883,0.0539948,0.00121594],[-0.0352189,-0.0427178,0.0189175,0.0128338],[0.00836161,-0.0369336,-0.00525344,0.00801658]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.02
S298 (cal/mol*K) = 28.35
G298 (kcal/mol) = 87.58

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(88); C7H10(65)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.410e+01 7.121e-01 -1.725e-01 2.511e-02 / CHEB/ 2.963e+01 8.038e-01 -4.922e-02 -4.933e-02 / CHEB/ -5.312e-01 3.135e-01 5.582e-02 -3.103e-02 / CHEB/ -1.840e-01 4.209e-02 5.399e-02 1.216e-03 / CHEB/ -3.522e-02 -4.272e-02 1.892e-02 1.283e-02 / CHEB/ 8.362e-03 -3.693e-02 -5.253e-03 8.017e-03 /

2077.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-2.9	+3.5	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-23.7	-2.4	+4.3	+7.4

Chebyshev(coeffs=[[-22.4424,0.685388,-0.16108,0.0223768],[29.4903,0.817908,-0.0612037,-0.044008],[-0.416587,0.324319,0.0524441,-0.0320694],[-0.161648,0.0450453,0.0560249,-0.000667667],[-0.0300951,-0.042941,0.0208729,0.0125141],[0.0112314,-0.0378232,-0.00468001,0.00852188]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.02
S298 (cal/mol*K) = 22.38
G298 (kcal/mol) = 70.35

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(251); C7H10(65)(+M)=>C7H10(251)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.244e+01 6.854e-01 -1.611e-01 2.238e-02 / CHEB/ 2.949e+01 8.179e-01 -6.120e-02 -4.401e-02 / CHEB/ -4.166e-01 3.243e-01 5.244e-02 -3.207e-02 / CHEB/ -1.616e-01 4.505e-02 5.602e-02 -6.677e-04 / CHEB/ -3.010e-02 -4.294e-02 2.087e-02 1.251e-02 / CHEB/ 1.123e-02 -3.782e-02 -4.680e-03 8.522e-03 /

2078.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	+1.2	+5.1	+6.8
log₁₀(k(10 bar)/[mole,m,s])	-11.9	+1.2	+5.4	+7.3

Chebyshev(coeffs=[[-11.0144,0.222219,-0.0482866,0.00070052],[18.2434,0.406733,-0.0844496,-0.000372732],[-0.311956,0.309496,-0.0545351,-0.0041168],[-0.193853,0.190398,-0.0214117,-0.00663189],[-0.10329,0.0873057,0.00210591,-0.00600643],[-0.0424006,0.021107,0.0116965,-0.00303831]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.49
S298 (cal/mol*K) = 11.63
G298 (kcal/mol) = 21.02

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(252); C7H10(65)(+M)=>C7H10(252)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.101e+01 2.222e-01 -4.829e-02 7.005e-04 / CHEB/ 1.824e+01 4.067e-01 -8.445e-02 -3.727e-04 / CHEB/ -3.120e-01 3.095e-01 -5.454e-02 -4.117e-03 / CHEB/ -1.939e-01 1.904e-01 -2.141e-02 -6.632e-03 / CHEB/ -1.033e-01 8.731e-02 2.106e-03 -6.006e-03 / CHEB/ -4.240e-02 2.111e-02 1.170e-02 -3.038e-03 /

2079.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.2	-12.2	-5.3	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-35.0	-11.5	-4.4	-1.1

Chebyshev(coeffs=[[-34.188,1.0323,-0.240433,0.0174656],[33.0394,0.71435,0.0740301,-0.0658018],[-0.705665,0.207987,0.0849689,-0.00444586],[-0.220756,-0.00561616,0.0327227,0.0171768],[-0.0406539,-0.047583,-0.00395667,0.0114899],[0.00747151,-0.0270997,-0.0127503,0.00102422]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.18
S298 (cal/mol*K) = 7.51
G298 (kcal/mol) = 73.94

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(253); C7H10(65)(+M)=>C7H10(253)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.419e+01 1.032e+00 -2.404e-01 1.747e-02 / CHEB/ 3.304e+01 7.144e-01 7.403e-02 -6.580e-02 / CHEB/ -7.057e-01 2.080e-01 8.497e-02 -4.446e-03 / CHEB/ -2.208e-01 -5.616e-03 3.272e-02 1.718e-02 / CHEB/ -4.065e-02 -4.758e-02 -3.957e-03 1.149e-02 / CHEB/ 7.472e-03 -2.710e-02 -1.275e-02 1.024e-03 /

2080.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-0.1	+4.1	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-14.8	-0.0	+4.5	+6.5

Chebyshev(coeffs=[[-13.9735,0.299263,-0.0634299,0.00144385],[20.5444,0.531585,-0.104078,-0.00131737],[-0.537673,0.369318,-0.0530328,-0.00872097],[-0.255585,0.190753,-0.00571049,-0.0116225],[-0.107863,0.0593519,0.0176847,-0.00786091],[-0.0318005,-0.00607297,0.018341,-0.00134842]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.87
S298 (cal/mol*K) = 10.91
G298 (kcal/mol) = 65.62

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(65), C7H10(254); C7H10(65)(+M)=>C7H10(254)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.397e+01 2.993e-01 -6.343e-02 1.444e-03 / CHEB/ 2.054e+01 5.316e-01 -1.041e-01 -1.317e-03 / CHEB/ -5.377e-01 3.693e-01 -5.303e-02 -8.721e-03 / CHEB/ -2.556e-01 1.908e-01 -5.710e-03 -1.162e-02 / CHEB/ -1.079e-01 5.935e-02 1.768e-02 -7.861e-03 / CHEB/ -3.180e-02 -6.073e-03 1.834e-02 -1.348e-03 /

2083.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.0	-3.5	+1.9	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-20.7	-2.8	+2.7	+5.2

Chebyshev(coeffs=[[-20.3389,1.14036,-0.279165,-0.00572568],[25.2839,0.542307,0.0798629,-0.0604442],[-0.517093,0.111601,0.0569003,0.00150588],[-0.123981,-0.0279953,0.0116388,0.014293],[-0.0274986,-0.0308455,-0.00615917,0.0069835],[-0.0235552,-0.00137631,-0.00337356,-0.000267469]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.68
S298 (cal/mol*K) = 40.93
G298 (kcal/mol) = 74.49

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C4H5(156); C7H10(187), C3H5(129); C7H10(187)(+M)=>C4H5(156)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.034e+01 1.140e+00 -2.792e-01 -5.726e-03 / CHEB/ 2.528e+01 5.423e-01 7.986e-02 -6.044e-02 / CHEB/ -5.171e-01 1.116e-01 5.690e-02 1.506e-03 / CHEB/ -1.240e-01 -2.800e-02 1.164e-02 1.429e-02 / CHEB/ -2.750e-02 -3.085e-02 -6.159e-03 6.983e-03 / CHEB/ -2.356e-02 -1.376e-03 -3.374e-03 -2.675e-04 /

2084.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.6	-7.4	-0.9	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-27.1	-6.6	-0.1	+3.1

Chebyshev(coeffs=[[-26.4945,1.28135,-0.272286,-0.0237432],[28.9963,0.482191,0.112719,-0.0416645],[-0.309653,0.0851116,0.0514954,0.00968219],[-0.0626527,-0.0319387,0.0028244,0.0129241],[-0.00978095,-0.028004,-0.00890941,0.00395154],[-0.0205719,0.000417624,-0.00229737,-0.00121361]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.50
S298 (cal/mol*K) = 31.28
G298 (kcal/mol) = 87.18

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), H(25); C7H10(187), C7H9(187); C7H10(187)(+M)=>H(25)+C7H9(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.649e+01 1.281e+00 -2.723e-01 -2.374e-02 / CHEB/ 2.900e+01 4.822e-01 1.127e-01 -4.166e-02 / CHEB/ -3.097e-01 8.511e-02 5.150e-02 9.682e-03 / CHEB/ -6.265e-02 -3.194e-02 2.824e-03 1.292e-02 / CHEB/ -9.781e-03 -2.800e-02 -8.909e-03 3.952e-03 / CHEB/ -2.057e-02 4.176e-04 -2.297e-03 -1.214e-03 /

2085.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.2	-4.7	+1.0	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-21.9	-4.0	+1.8	+4.6

Chebyshev(coeffs=[[-21.261,1.06095,-0.276713,0.00409996],[25.1433,0.573288,0.0570061,-0.0678938],[-0.241904,0.127929,0.0578479,-0.00402481],[-0.0426193,-0.0244868,0.0170358,0.0140362],[0.000764449,-0.0319652,-0.00384641,0.00840526],[-0.0118937,-0.00244546,-0.00380324,0.000425667]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.40
S298 (cal/mol*K) = 23.73
G298 (kcal/mol) = 76.33

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), H(25); C7H10(187), C7H9(188); C7H10(187)(+M)=>H(25)+C7H9(188)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.126e+01 1.061e+00 -2.767e-01 4.100e-03 / CHEB/ 2.514e+01 5.733e-01 5.701e-02 -6.789e-02 / CHEB/ -2.419e-01 1.279e-01 5.785e-02 -4.025e-03 / CHEB/ -4.262e-02 -2.449e-02 1.704e-02 1.404e-02 / CHEB/ 7.644e-04 -3.197e-02 -3.846e-03 8.405e-03 / CHEB/ -1.189e-02 -2.445e-03 -3.803e-03 4.257e-04 /

2086.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.2	-9.0	-1.8	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-30.7	-8.2	-0.9	+2.6

Chebyshev(coeffs=[[-29.9502,1.40583,-0.253448,-0.0381013],[31.9328,0.425661,0.131814,-0.021127],[-0.283593,0.0631289,0.0437929,0.0148555],[-0.0595288,-0.0333373,-0.00370193,0.00992165],[-0.0114393,-0.0243267,-0.0100629,0.000932777],[-0.0236301,0.00195829,-0.00118892,-0.00164372]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 106.00
S298 (cal/mol*K) = 31.93
G298 (kcal/mol) = 96.49

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), H(25); C7H10(187), C7H9(189); C7H10(187)(+M)=>H(25)+C7H9(189)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.995e+01 1.406e+00 -2.534e-01 -3.810e-02 / CHEB/ 3.193e+01 4.257e-01 1.318e-01 -2.113e-02 / CHEB/ -2.836e-01 6.313e-02 4.379e-02 1.486e-02 / CHEB/ -5.953e-02 -3.334e-02 -3.702e-03 9.922e-03 / CHEB/ -1.144e-02 -2.433e-02 -1.006e-02 9.328e-04 / CHEB/ -2.363e-02 1.958e-03 -1.189e-03 -1.644e-03 /

2087.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.8	-7.2	-0.8	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-26.4	-6.5	+0.0	+3.2

Chebyshev(coeffs=[[-25.689,1.22343,-0.275645,-0.0159166],[28.1086,0.514558,0.101653,-0.0504645],[-0.203991,0.0955832,0.0551059,0.00705031],[-0.0369735,-0.0312796,0.00628086,0.0139878],[-0.00107596,-0.0293628,-0.00815824,0.00522143],[-0.0161564,-0.000232704,-0.00282345,-0.000938922]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.20
S298 (cal/mol*K) = 23.61
G298 (kcal/mol) = 84.16

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), H(25); C7H10(187), C7H9(190); C7H10(187)(+M)=>H(25)+C7H9(190)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.569e+01 1.223e+00 -2.756e-01 -1.592e-02 / CHEB/ 2.811e+01 5.146e-01 1.017e-01 -5.046e-02 / CHEB/ -2.040e-01 9.558e-02 5.511e-02 7.050e-03 / CHEB/ -3.697e-02 -3.128e-02 6.281e-03 1.399e-02 / CHEB/ -1.076e-03 -2.936e-02 -8.158e-03 5.221e-03 / CHEB/ -1.616e-02 -2.327e-04 -2.823e-03 -9.389e-04 /

2088.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.1	-11.4	-3.6	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-34.5	-10.5	-2.7	+1.1

Chebyshev(coeffs=[[-33.6219,1.48302,-0.236008,-0.045467],[34.0265,0.386707,0.137897,-0.00726204],[-0.266166,0.0509797,0.0381137,0.0165852],[-0.0537224,-0.0327716,-0.00684523,0.00732028],[-0.0106341,-0.0216512,-0.0101819,-0.000801589],[-0.0249258,0.00271195,-0.000507415,-0.00162517]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 112.50
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 103.79

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), H(25); C7H10(187), C7H9(191); C7H10(187)(+M)=>H(25)+C7H9(191)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.362e+01 1.483e+00 -2.360e-01 -4.547e-02 / CHEB/ 3.403e+01 3.867e-01 1.379e-01 -7.262e-03 / CHEB/ -2.662e-01 5.098e-02 3.811e-02 1.659e-02 / CHEB/ -5.372e-02 -3.277e-02 -6.845e-03 7.320e-03 / CHEB/ -1.063e-02 -2.165e-02 -1.018e-02 -8.016e-04 / CHEB/ -2.493e-02 2.712e-03 -5.074e-04 -1.625e-03 /

2089.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.1	-11.4	-3.6	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-34.5	-10.5	-2.7	+1.1

H298 (kcal/mol) = 112.50
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 103.79

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), H(25); C7H10(187), C7H9(192); C7H10(187)(+M)=>H(25)+C7H9(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.362e+01 1.483e+00 -2.360e-01 -4.547e-02 / CHEB/ 3.403e+01 3.867e-01 1.379e-01 -7.262e-03 / CHEB/ -2.662e-01 5.098e-02 3.811e-02 1.659e-02 / CHEB/ -5.372e-02 -3.277e-02 -6.845e-03 7.320e-03 / CHEB/ -1.063e-02 -2.165e-02 -1.018e-02 -8.016e-04 / CHEB/ -2.493e-02 2.712e-03 -5.074e-04 -1.625e-03 /

2090.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.6	-7.0	-0.2	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-28.0	-6.2	+0.7	+4.0

Chebyshev(coeffs=[[-27.4348,1.39112,-0.256409,-0.0366103],[31.0083,0.431784,0.129945,-0.0236285],[-0.413961,0.0660322,0.0448436,0.0142946],[-0.0946226,-0.0331337,-0.00293648,0.0103597],[-0.0225294,-0.0248917,-0.00997674,0.00132169],[-0.0274778,0.00173859,-0.00133841,-0.0016114]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 102.00
S298 (cal/mol*K) = 40.66
G298 (kcal/mol) = 89.88

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C6H8(193); C7H10(187), CH2(137); C7H10(187)(+M)=>C6H8(193)+CH2(137)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.743e+01 1.391e+00 -2.564e-01 -3.661e-02 / CHEB/ 3.101e+01 4.318e-01 1.299e-01 -2.363e-02 / CHEB/ -4.140e-01 6.603e-02 4.484e-02 1.429e-02 / CHEB/ -9.462e-02 -3.313e-02 -2.936e-03 1.036e-02 / CHEB/ -2.253e-02 -2.489e-02 -9.977e-03 1.322e-03 / CHEB/ -2.748e-02 1.739e-03 -1.338e-03 -1.611e-03 /

2091.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	-0.4	+3.7	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-0.0	+4.3	+6.3

Chebyshev(coeffs=[[-13.1525,0.681738,-0.207644,0.026835],[18.9851,0.680925,-0.0776086,-0.0554719],[-0.335075,0.222746,0.034072,-0.0321072],[-0.0819821,0.00836363,0.0390476,0.000119734],[-0.00872869,-0.0319193,0.0136876,0.00989819],[-0.00695102,-0.00856048,-0.00177465,0.00483587]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.92
S298 (cal/mol*K) = 10.44
G298 (kcal/mol) = 54.81

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(194); C7H10(187)(+M)=>C7H10(194)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.315e+01 6.817e-01 -2.076e-01 2.684e-02 / CHEB/ 1.899e+01 6.809e-01 -7.761e-02 -5.547e-02 / CHEB/ -3.351e-01 2.227e-01 3.407e-02 -3.211e-02 / CHEB/ -8.198e-02 8.364e-03 3.905e-02 1.197e-04 / CHEB/ -8.729e-03 -3.192e-02 1.369e-02 9.898e-03 / CHEB/ -6.951e-03 -8.560e-03 -1.775e-03 4.836e-03 /

2092.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-0.3	+3.8	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-13.8	+0.1	+4.4	+6.5

Chebyshev(coeffs=[[-13.1563,0.683759,-0.208049,0.0267729],[19.1323,0.681558,-0.0771164,-0.0557163],[-0.305236,0.221823,0.0345514,-0.0320196],[-0.0747861,0.00777925,0.0390406,0.000297992],[-0.00646082,-0.0319605,0.0135107,0.00995793],[-0.00606765,-0.00845815,-0.00184689,0.0048051]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.32
S298 (cal/mol*K) = 11.09
G298 (kcal/mol) = 55.02

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(195); C7H10(187)(+M)=>C7H10(195)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.316e+01 6.838e-01 -2.080e-01 2.677e-02 / CHEB/ 1.913e+01 6.816e-01 -7.712e-02 -5.572e-02 / CHEB/ -3.052e-01 2.218e-01 3.455e-02 -3.202e-02 / CHEB/ -7.479e-02 7.779e-03 3.904e-02 2.980e-04 / CHEB/ -6.461e-03 -3.196e-02 1.351e-02 9.958e-03 / CHEB/ -6.068e-03 -8.458e-03 -1.847e-03 4.805e-03 /

2093.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-2.0	+2.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-17.4	-1.4	+3.7	+6.1

Chebyshev(coeffs=[[-16.7515,0.880069,-0.254742,0.0217541],[22.2197,0.637031,-0.00383173,-0.0732692],[-0.252102,0.168427,0.0533953,-0.0180783],[-0.0508129,-0.0133627,0.0290464,0.01044],[7.21341e-05,-0.0331703,0.0032325,0.0105494],[-0.00810715,-0.00493824,-0.00389298,0.00230408]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.92
S298 (cal/mol*K) = 10.44
G298 (kcal/mol) = 54.81

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(196); C7H10(187)(+M)=>C7H10(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.675e+01 8.801e-01 -2.547e-01 2.175e-02 / CHEB/ 2.222e+01 6.370e-01 -3.832e-03 -7.327e-02 / CHEB/ -2.521e-01 1.684e-01 5.340e-02 -1.808e-02 / CHEB/ -5.081e-02 -1.336e-02 2.905e-02 1.044e-02 / CHEB/ 7.213e-05 -3.317e-02 3.233e-03 1.055e-02 / CHEB/ -8.107e-03 -4.938e-03 -3.893e-03 2.304e-03 /

2094.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-2.3	+2.7	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-1.7	+3.5	+5.9

Chebyshev(coeffs=[[-17.1079,0.889891,-0.254864,0.020956],[22.3687,0.64113,-0.000517105,-0.0736196],[-0.220469,0.166443,0.0550196,-0.0172109],[-0.0447067,-0.0148847,0.0287714,0.0110451],[0.00158675,-0.0334194,0.00262474,0.0106058],[-0.00768061,-0.0048082,-0.00405614,0.00218442]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.32
S298 (cal/mol*K) = 11.09
G298 (kcal/mol) = 55.02

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(197); C7H10(187)(+M)=>C7H10(197)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.711e+01 8.899e-01 -2.549e-01 2.096e-02 / CHEB/ 2.237e+01 6.411e-01 -5.171e-04 -7.362e-02 / CHEB/ -2.205e-01 1.664e-01 5.502e-02 -1.721e-02 / CHEB/ -4.471e-02 -1.488e-02 2.877e-02 1.105e-02 / CHEB/ 1.587e-03 -3.342e-02 2.625e-03 1.061e-02 / CHEB/ -7.681e-03 -4.808e-03 -4.056e-03 2.184e-03 /

2095.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-2.0	+2.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-17.4	-1.4	+3.7	+6.1

H298 (kcal/mol) = 57.92
S298 (cal/mol*K) = 11.82
G298 (kcal/mol) = 54.40

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(198); C7H10(187)(+M)=>C7H10(198)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.675e+01 8.801e-01 -2.547e-01 2.175e-02 / CHEB/ 2.222e+01 6.370e-01 -3.832e-03 -7.327e-02 / CHEB/ -2.521e-01 1.684e-01 5.340e-02 -1.808e-02 / CHEB/ -5.081e-02 -1.336e-02 2.905e-02 1.044e-02 / CHEB/ 7.213e-05 -3.317e-02 3.233e-03 1.055e-02 / CHEB/ -8.107e-03 -4.938e-03 -3.893e-03 2.304e-03 /

2096.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-1.3	+2.5	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-1.0	+3.1	+5.0

Chebyshev(coeffs=[[-13.3628,0.610243,-0.185705,0.0241951],[17.9203,0.685206,-0.102953,-0.0435226],[-0.340306,0.245333,0.0218779,-0.0345761],[-0.088157,0.0204344,0.0405628,-0.00524312],[-0.0105886,-0.0300562,0.0179985,0.00810864],[-0.00580654,-0.0102258,-0.000137235,0.00560678]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.92
S298 (cal/mol*K) = 10.44
G298 (kcal/mol) = 54.81

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(199); C7H10(187)(+M)=>C7H10(199)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.336e+01 6.102e-01 -1.857e-01 2.420e-02 / CHEB/ 1.792e+01 6.852e-01 -1.030e-01 -4.352e-02 / CHEB/ -3.403e-01 2.453e-01 2.188e-02 -3.458e-02 / CHEB/ -8.816e-02 2.043e-02 4.056e-02 -5.243e-03 / CHEB/ -1.059e-02 -3.006e-02 1.800e-02 8.109e-03 / CHEB/ -5.807e-03 -1.023e-02 -1.372e-04 5.607e-03 /

2097.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-3.1	+1.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-2.6	+2.1	+4.4

Chebyshev(coeffs=[[-17.0224,0.799117,-0.238077,0.0259483],[20.8433,0.660054,-0.0338649,-0.069101],[-0.291583,0.188884,0.0478286,-0.0244686],[-0.0661094,-0.00630557,0.0338127,0.0071584],[-0.00437734,-0.0331,0.00714124,0.0108455],[-0.00787469,-0.00621375,-0.00339353,0.00329671]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.42
S298 (cal/mol*K) = 11.09
G298 (kcal/mol) = 64.12

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(200); C7H10(187)(+M)=>C7H10(200)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.702e+01 7.991e-01 -2.381e-01 2.595e-02 / CHEB/ 2.084e+01 6.601e-01 -3.386e-02 -6.910e-02 / CHEB/ -2.916e-01 1.889e-01 4.783e-02 -2.447e-02 / CHEB/ -6.611e-02 -6.306e-03 3.381e-02 7.158e-03 / CHEB/ -4.377e-03 -3.310e-02 7.141e-03 1.085e-02 / CHEB/ -7.875e-03 -6.214e-03 -3.394e-03 3.297e-03 /

2098.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-3.3	+1.2	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-2.8	+1.9	+4.1

Chebyshev(coeffs=[[-17.1931,0.799117,-0.238077,0.0259483],[20.7765,0.660054,-0.0338649,-0.069101],[-0.306323,0.188884,0.0478286,-0.0244686],[-0.070449,-0.00630557,0.0338127,0.0071584],[-0.00581419,-0.0331,0.00714124,0.0108455],[-0.00838089,-0.00621375,-0.00339353,0.00329671]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.42
S298 (cal/mol*K) = 11.09
G298 (kcal/mol) = 64.12

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(201); C7H10(187)(+M)=>C7H10(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.719e+01 7.991e-01 -2.381e-01 2.595e-02 / CHEB/ 2.078e+01 6.601e-01 -3.386e-02 -6.910e-02 / CHEB/ -3.063e-01 1.889e-01 4.783e-02 -2.447e-02 / CHEB/ -7.045e-02 -6.306e-03 3.381e-02 7.158e-03 / CHEB/ -5.814e-03 -3.310e-02 7.141e-03 1.085e-02 / CHEB/ -8.381e-03 -6.214e-03 -3.394e-03 3.297e-03 /

2099.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	+0.0	+4.2	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-13.1	+0.4	+4.8	+6.8

Chebyshev(coeffs=[[-12.4759,0.640779,-0.195308,0.0255758],[18.7177,0.684543,-0.0924339,-0.0488727],[-0.262936,0.235444,0.0275267,-0.0338029],[-0.0634114,0.0148499,0.0401458,-0.00287318],[-0.00244596,-0.0310024,0.0161248,0.00901717],[-0.00371837,-0.00947967,-0.000918513,0.00531159]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.92
S298 (cal/mol*K) = 13.04
G298 (kcal/mol) = 56.04

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(202); C7H10(187)(+M)=>C7H10(202)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.248e+01 6.408e-01 -1.953e-01 2.558e-02 / CHEB/ 1.872e+01 6.845e-01 -9.243e-02 -4.887e-02 / CHEB/ -2.629e-01 2.354e-01 2.753e-02 -3.380e-02 / CHEB/ -6.341e-02 1.485e-02 4.015e-02 -2.873e-03 / CHEB/ -2.446e-03 -3.100e-02 1.612e-02 9.017e-03 / CHEB/ -3.718e-03 -9.480e-03 -9.185e-04 5.312e-03 /

2100.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	+2.0	+6.0	+7.9
log₁₀(k(10 bar)/[mole,m,s])	-10.9	+2.4	+6.6	+8.6

Chebyshev(coeffs=[[-10.3244,0.634466,-0.193007,0.0251037],[18.4102,0.686453,-0.0951588,-0.0476461],[-0.303003,0.236952,0.0267508,-0.0340434],[-0.0788395,0.0153915,0.0404102,-0.00330103],[-0.00773739,-0.0308684,0.0164107,0.00890569],[-0.0051744,-0.00952476,-0.000840652,0.00537598]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.51
S298 (cal/mol*K) = 16.14
G298 (kcal/mol) = 54.70

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(58); C7H10(187)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.032e+01 6.345e-01 -1.930e-01 2.510e-02 / CHEB/ 1.841e+01 6.865e-01 -9.516e-02 -4.765e-02 / CHEB/ -3.030e-01 2.370e-01 2.675e-02 -3.404e-02 / CHEB/ -7.884e-02 1.539e-02 4.041e-02 -3.301e-03 / CHEB/ -7.737e-03 -3.087e-02 1.641e-02 8.906e-03 / CHEB/ -5.174e-03 -9.525e-03 -8.407e-04 5.376e-03 /

2101.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.1	-1.8	+3.1	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-1.2	+3.8	+6.2

Chebyshev(coeffs=[[-16.3317,0.859008,-0.250892,0.0231435],[21.8967,0.642968,-0.0114422,-0.072602],[-0.255721,0.173784,0.0521045,-0.0197878],[-0.0518206,-0.0115448,0.030339,0.00967269],[-1.67018e-05,-0.0332081,0.00424182,0.0106758],[-0.00774392,-0.00528627,-0.00378997,0.0025611]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.48
S298 (cal/mol*K) = 14.68
G298 (kcal/mol) = 66.11

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(203); C7H10(187)(+M)=>C7H10(203)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.633e+01 8.590e-01 -2.509e-01 2.314e-02 / CHEB/ 2.190e+01 6.430e-01 -1.144e-02 -7.260e-02 / CHEB/ -2.557e-01 1.738e-01 5.210e-02 -1.979e-02 / CHEB/ -5.182e-02 -1.154e-02 3.034e-02 9.673e-03 / CHEB/ -1.670e-05 -3.321e-02 4.242e-03 1.068e-02 / CHEB/ -7.744e-03 -5.286e-03 -3.790e-03 2.561e-03 /

2102.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-0.8	+4.0	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-0.2	+4.7	+7.1

Chebyshev(coeffs=[[-15.158,0.849465,-0.248961,0.0236869],[21.6204,0.646036,-0.015004,-0.0722117],[-0.284402,0.176051,0.0515476,-0.0205405],[-0.0611773,-0.0108212,0.0309154,0.00932522],[-0.0030759,-0.0332014,0.00467605,0.0107235],[-0.00857196,-0.00541681,-0.00374475,0.00267199]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.82
S298 (cal/mol*K) = 16.71
G298 (kcal/mol) = 64.84

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(143); C7H10(187)(+M)=>C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.516e+01 8.495e-01 -2.490e-01 2.369e-02 / CHEB/ 2.162e+01 6.460e-01 -1.500e-02 -7.221e-02 / CHEB/ -2.844e-01 1.761e-01 5.155e-02 -2.054e-02 / CHEB/ -6.118e-02 -1.082e-02 3.092e-02 9.325e-03 / CHEB/ -3.076e-03 -3.320e-02 4.676e-03 1.072e-02 / CHEB/ -8.572e-03 -5.417e-03 -3.745e-03 2.672e-03 /

2103.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+5.9	+8.1	+9.0
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+6.0	+8.4	+9.5

Chebyshev(coeffs=[[-0.872271,0.254822,-0.0724195,0.00307403],[10.0108,0.450306,-0.121567,0.00177735],[-0.210478,0.307405,-0.0682489,-0.00665327],[-0.126633,0.154851,-0.017643,-0.0111389],[-0.0529407,0.0493323,0.0089875,-0.0088777],[-0.0138535,0.00253472,0.0124519,-0.00331031]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.03
S298 (cal/mol*K) = 5.86
G298 (kcal/mol) = 29.29

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(57); C7H10(187)(+M)=>C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.723e-01 2.548e-01 -7.242e-02 3.074e-03 / CHEB/ 1.001e+01 4.503e-01 -1.216e-01 1.777e-03 / CHEB/ -2.105e-01 3.074e-01 -6.825e-02 -6.653e-03 / CHEB/ -1.266e-01 1.549e-01 -1.764e-02 -1.114e-02 / CHEB/ -5.294e-02 4.933e-02 8.988e-03 -8.878e-03 / CHEB/ -1.385e-02 2.535e-03 1.245e-02 -3.310e-03 /

2104.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-2.3	+3.9	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-21.3	-1.6	+4.8	+7.9

Chebyshev(coeffs=[[-20.5851,1.20519,-0.27686,-0.0137045],[27.746,0.520725,0.0970929,-0.0528574],[-0.21436,0.0989649,0.0556225,0.00588847],[-0.0390539,-0.0306466,0.00743174,0.0141264],[-0.00116824,-0.0296909,-0.00776279,0.00562927],[-0.0156645,-0.000466616,-0.0029488,-0.000800853]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.33
S298 (cal/mol*K) = 22.34
G298 (kcal/mol) = 64.67

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(204); C7H10(187)(+M)=>C7H10(204)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.059e+01 1.205e+00 -2.769e-01 -1.370e-02 / CHEB/ 2.775e+01 5.207e-01 9.709e-02 -5.286e-02 / CHEB/ -2.144e-01 9.896e-02 5.562e-02 5.888e-03 / CHEB/ -3.905e-02 -3.065e-02 7.432e-03 1.413e-02 / CHEB/ -1.168e-03 -2.969e-02 -7.763e-03 5.629e-03 / CHEB/ -1.566e-02 -4.666e-04 -2.949e-03 -8.009e-04 /

2105.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-2.3	+3.9	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-21.3	-1.6	+4.8	+7.9

H298 (kcal/mol) = 71.33
S298 (cal/mol*K) = 20.96
G298 (kcal/mol) = 65.08

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(187), C7H10(205); C7H10(187)(+M)=>C7H10(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.059e+01 1.205e+00 -2.769e-01 -1.370e-02 / CHEB/ 2.775e+01 5.207e-01 9.709e-02 -5.286e-02 / CHEB/ -2.144e-01 9.896e-02 5.562e-02 5.888e-03 / CHEB/ -3.905e-02 -3.065e-02 7.432e-03 1.413e-02 / CHEB/ -1.168e-03 -2.969e-02 -7.763e-03 5.629e-03 / CHEB/ -1.566e-02 -4.666e-04 -2.949e-03 -8.009e-04 /

2106.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	+2.2	+4.5	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-5.6	+3.1	+5.4	+6.2

Chebyshev(coeffs=[[-5.8524,1.83702,-0.0851416,-0.0450624],[11.6441,0.0981581,0.0336087,0.0240634],[-0.090879,-0.0113772,0.00877076,0.000340424],[-0.315405,0.0538185,0.0259015,0.0125198],[-0.162189,0.0168718,0.0127907,0.00457093],[-0.0336917,-0.00284258,-0.00253453,-0.000415116]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = -1.38
G298 (kcal/mol) = 0.41

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(266); C7H11(40)(+M)=>C7H11(266)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.852e+00 1.837e+00 -8.514e-02 -4.506e-02 / CHEB/ 1.164e+01 9.816e-02 3.361e-02 2.406e-02 / CHEB/ -9.088e-02 -1.138e-02 8.771e-03 3.404e-04 / CHEB/ -3.154e-01 5.382e-02 2.590e-02 1.252e-02 / CHEB/ -1.622e-01 1.687e-02 1.279e-02 4.571e-03 / CHEB/ -3.369e-02 -2.843e-03 -2.535e-03 -4.151e-04 /

2108.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	+0.5	+3.1	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-8.4	+1.4	+4.1	+5.1

Chebyshev(coeffs=[[-8.55725,1.87637,-0.0790478,-0.0376611],[13.1838,0.0682091,0.042386,0.0190184],[-0.0979883,-0.000368695,0.0015088,0.00236564],[-0.279529,0.041075,0.0248356,0.010488],[-0.154967,0.0148462,0.00927505,0.00421332],[-0.037005,-0.00429793,-0.00247296,-0.000910839]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.55
S298 (cal/mol*K) = -3.09
G298 (kcal/mol) = 11.47

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(265); C7H11(40)(+M)=>C7H11(265)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.557e+00 1.876e+00 -7.905e-02 -3.766e-02 / CHEB/ 1.318e+01 6.821e-02 4.239e-02 1.902e-02 / CHEB/ -9.799e-02 -3.687e-04 1.509e-03 2.366e-03 / CHEB/ -2.795e-01 4.107e-02 2.484e-02 1.049e-02 / CHEB/ -1.550e-01 1.485e-02 9.275e-03 4.213e-03 / CHEB/ -3.700e-02 -4.298e-03 -2.473e-03 -9.108e-04 /

2109.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.0	-9.2	-2.6	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-30.0	-8.2	-1.6	+1.4

Chebyshev(coeffs=[[-29.1976,1.99515,-0.00336209,-0.00185554],[30.2398,3.45083e-05,2.62538e-05,1.66151e-05],[-0.180065,0.000785148,0.00054299,0.000298272],[-0.271779,0.00195071,0.00135012,0.00074261],[-0.122873,0.00123182,0.000851766,0.000467768],[-0.0185574,0.000122337,8.44557e-05,4.62557e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 30.94
G298 (kcal/mol) = 89.23

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(31); C7H11(40)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.920e+01 1.995e+00 -3.362e-03 -1.856e-03 / CHEB/ 3.024e+01 3.451e-05 2.625e-05 1.662e-05 / CHEB/ -1.801e-01 7.851e-04 5.430e-04 2.983e-04 / CHEB/ -2.718e-01 1.951e-03 1.350e-03 7.426e-04 / CHEB/ -1.229e-01 1.232e-03 8.518e-04 4.678e-04 / CHEB/ -1.856e-02 1.223e-04 8.446e-05 4.626e-05 /

2110.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.9	-9.1	-2.4	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-29.9	-8.1	-1.4	+1.7

Chebyshev(coeffs=[[-29.0825,1.99515,-0.00336209,-0.00185554],[30.3466,3.45083e-05,2.62538e-05,1.66151e-05],[-0.156467,0.000785148,0.00054299,0.000298272],[-0.264831,0.00195071,0.00135012,0.00074261],[-0.120573,0.00123182,0.000851766,0.000467768],[-0.017747,0.000122337,8.44557e-05,4.62557e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 32.32
G298 (kcal/mol) = 88.82

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(35); C7H11(40)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.908e+01 1.995e+00 -3.362e-03 -1.856e-03 / CHEB/ 3.035e+01 3.451e-05 2.625e-05 1.662e-05 / CHEB/ -1.565e-01 7.851e-04 5.430e-04 2.983e-04 / CHEB/ -2.648e-01 1.951e-03 1.350e-03 7.426e-04 / CHEB/ -1.206e-01 1.232e-03 8.518e-04 4.678e-04 / CHEB/ -1.775e-02 1.223e-04 8.446e-05 4.626e-05 /

2111.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.9	-7.7	-1.8	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-25.9	-6.7	-0.8	+1.8

Chebyshev(coeffs=[[-25.3437,1.9901,-0.00684452,-0.00375708],[26.7363,0.00167063,0.00116384,0.000647066],[-0.196262,0.00175417,0.0012085,0.00065959],[-0.189153,0.00356082,0.00244979,0.00133399],[-0.134149,0.00206219,0.0014167,0.000769551],[-0.0544362,3.70767e-05,2.58634e-05,1.44141e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.60
S298 (cal/mol*K) = 23.61
G298 (kcal/mol) = 78.56

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(28); C7H11(40)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.534e+01 1.990e+00 -6.845e-03 -3.757e-03 / CHEB/ 2.674e+01 1.671e-03 1.164e-03 6.471e-04 / CHEB/ -1.963e-01 1.754e-03 1.209e-03 6.596e-04 / CHEB/ -1.892e-01 3.561e-03 2.450e-03 1.334e-03 / CHEB/ -1.341e-01 2.062e-03 1.417e-03 7.696e-04 / CHEB/ -5.444e-02 3.708e-05 2.586e-05 1.441e-05 /

2112.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.6	-6.4	-1.5	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-21.6	-5.4	-0.5	+1.7

Chebyshev(coeffs=[[-21.2148,1.97533,-0.0168907,-0.00912151],[22.3092,0.00982296,0.00674263,0.0036571],[-0.0593355,0.0030496,0.00209442,0.00113716],[-0.227119,0.00793476,0.00536983,0.00284239],[-0.128838,0.00372176,0.00251475,0.00132753],[-0.0242975,-0.000713684,-0.000476068,-0.000245499]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.75
S298 (cal/mol*K) = 13.52
G298 (kcal/mol) = 68.72

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(33); C7H11(40)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.121e+01 1.975e+00 -1.689e-02 -9.122e-03 / CHEB/ 2.231e+01 9.823e-03 6.743e-03 3.657e-03 / CHEB/ -5.934e-02 3.050e-03 2.094e-03 1.137e-03 / CHEB/ -2.271e-01 7.935e-03 5.370e-03 2.842e-03 / CHEB/ -1.288e-01 3.722e-03 2.515e-03 1.328e-03 / CHEB/ -2.430e-02 -7.137e-04 -4.761e-04 -2.455e-04 /

2113.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.7	-12.5	-5.0	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-35.7	-11.5	-4.0	-0.4

Chebyshev(coeffs=[[-34.6385,1.99705,-0.00205178,-0.00113472],[33.6409,-0.000205277,-0.000141982,-7.80085e-05],[-0.0548158,0.000417669,0.000289271,0.000159288],[-0.24936,0.0011803,0.000818856,0.000452186],[-0.117704,0.000804086,0.000557523,0.000307575],[-0.0132164,0.000132311,9.16402e-05,5.04651e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(30); C7H11(40)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.464e+01 1.997e+00 -2.052e-03 -1.135e-03 / CHEB/ 3.364e+01 -2.053e-04 -1.420e-04 -7.801e-05 / CHEB/ -5.482e-02 4.177e-04 2.893e-04 1.593e-04 / CHEB/ -2.494e-01 1.180e-03 8.189e-04 4.522e-04 / CHEB/ -1.177e-01 8.041e-04 5.575e-04 3.076e-04 / CHEB/ -1.322e-02 1.323e-04 9.164e-05 5.047e-05 /

2114.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.7	-12.5	-5.0	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-35.7	-11.5	-4.0	-0.4

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(29); C7H11(40)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.464e+01 1.997e+00 -2.052e-03 -1.135e-03 / CHEB/ 3.364e+01 -2.053e-04 -1.420e-04 -7.801e-05 / CHEB/ -5.482e-02 4.177e-04 2.893e-04 1.593e-04 / CHEB/ -2.494e-01 1.180e-03 8.189e-04 4.522e-04 / CHEB/ -1.177e-01 8.041e-04 5.575e-04 3.076e-04 / CHEB/ -1.322e-02 1.323e-04 9.164e-05 5.047e-05 /

2115.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.9	+7.7	+9.1	+9.3
log₁₀(k(10 bar)/[mole,m,s])	+1.8	+8.6	+10.1	+10.3

Chebyshev(coeffs=[[1.27341,1.80851,-0.117044,-0.0508106],[8.89581,0.0898522,0.0521143,0.0199125],[-0.265928,0.000134604,0.00369421,0.0050193],[-0.328584,0.060383,0.0338881,0.0118557],[-0.18288,0.0257446,0.0151756,0.00604492],[-0.0566685,-0.0021536,-0.000792041,0.00017846]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.72
S298 (cal/mol*K) = -3.72
G298 (kcal/mol) = 12.82

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(283); C7H11(40)(+M)=>C7H11(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.273e+00 1.809e+00 -1.170e-01 -5.081e-02 / CHEB/ 8.896e+00 8.985e-02 5.211e-02 1.991e-02 / CHEB/ -2.659e-01 1.346e-04 3.694e-03 5.019e-03 / CHEB/ -3.286e-01 6.038e-02 3.389e-02 1.186e-02 / CHEB/ -1.829e-01 2.574e-02 1.518e-02 6.045e-03 / CHEB/ -5.667e-02 -2.154e-03 -7.920e-04 1.785e-04 /

2116.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.2	+6.9	+6.4	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+7.7	+8.6	+8.3	+7.7

Chebyshev(coeffs=[[5.61805,3.26891,-0.264948,-0.0235855],[0.964913,0.494547,0.114292,-0.0356142],[-0.502136,0.0710335,0.0535537,0.0163007],[-0.215674,0.0689494,0.0204297,0.00337035],[-0.113075,0.016976,0.0158116,0.00680309],[-0.0601169,-0.00936586,0.00689663,0.00660834]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.51
S298 (cal/mol*K) = -0.32
G298 (kcal/mol) = 6.60

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(284); C7H11(40)(+M)=>C7H11(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.618e+00 3.269e+00 -2.649e-01 -2.359e-02 / CHEB/ 9.649e-01 4.945e-01 1.143e-01 -3.561e-02 / CHEB/ -5.021e-01 7.103e-02 5.355e-02 1.630e-02 / CHEB/ -2.157e-01 6.895e-02 2.043e-02 3.370e-03 / CHEB/ -1.131e-01 1.698e-02 1.581e-02 6.803e-03 / CHEB/ -6.012e-02 -9.366e-03 6.897e-03 6.608e-03 /

2117.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+5.7	+8.0	+8.7
log₁₀(k(10 bar)/[mole,m,s])	-2.4	+6.7	+9.0	+9.7

Chebyshev(coeffs=[[-2.67527,1.85892,-0.0892434,-0.0416189],[12.1013,0.0695075,0.0425953,0.0185403],[-0.162947,-0.0010021,0.00148322,0.0026948],[-0.347188,0.0485801,0.0288358,0.0116582],[-0.155834,0.0190326,0.0116322,0.00503968],[-0.027775,-0.00365349,-0.00201923,-0.000653368]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.73
S298 (cal/mol*K) = 17.27
G298 (kcal/mol) = 24.58

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(285); C7H11(40)(+M)=>C7H11(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.675e+00 1.859e+00 -8.924e-02 -4.162e-02 / CHEB/ 1.210e+01 6.951e-02 4.260e-02 1.854e-02 / CHEB/ -1.629e-01 -1.002e-03 1.483e-03 2.695e-03 / CHEB/ -3.472e-01 4.858e-02 2.884e-02 1.166e-02 / CHEB/ -1.558e-01 1.903e-02 1.163e-02 5.040e-03 / CHEB/ -2.778e-02 -3.653e-03 -2.019e-03 -6.534e-04 /

2118.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+6.4	+7.6	+7.8
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+7.2	+8.5	+8.7

Chebyshev(coeffs=[[1.02966,1.75396,-0.144162,-0.0569232],[7.3749,0.128071,0.0687379,0.0211067],[-0.171703,0.000296613,0.00629021,0.00818564],[-0.254021,0.0663997,0.0349922,0.0101689],[-0.170386,0.0287194,0.0166829,0.00638584],[-0.0709695,-0.0017694,6.94553e-05,0.00110814]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.16
S298 (cal/mol*K) = 18.86
G298 (kcal/mol) = 11.54

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(286); C7H11(40)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.030e+00 1.754e+00 -1.442e-01 -5.692e-02 / CHEB/ 7.375e+00 1.281e-01 6.874e-02 2.111e-02 / CHEB/ -1.717e-01 2.966e-04 6.290e-03 8.186e-03 / CHEB/ -2.540e-01 6.640e-02 3.499e-02 1.017e-02 / CHEB/ -1.704e-01 2.872e-02 1.668e-02 6.386e-03 / CHEB/ -7.097e-02 -1.769e-03 6.946e-05 1.108e-03 /

2119.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-3.6	+0.4	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-2.6	+1.4	+3.1

Chebyshev(coeffs=[[-15.816,1.94321,-0.0380312,-0.0197637],[18.3497,0.0314909,0.0209355,0.0107331],[-0.0657064,0.00240928,0.001866,0.00120512],[-0.236445,0.0177566,0.0115873,0.00573898],[-0.134252,0.00664154,0.00436401,0.00219063],[-0.0283194,-0.00245738,-0.00156834,-0.000742549]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.82
S298 (cal/mol*K) = 1.74
G298 (kcal/mol) = -4.34

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(287); C7H11(40)(+M)=>C7H11(287)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.582e+01 1.943e+00 -3.803e-02 -1.976e-02 / CHEB/ 1.835e+01 3.149e-02 2.094e-02 1.073e-02 / CHEB/ -6.571e-02 2.409e-03 1.866e-03 1.205e-03 / CHEB/ -2.364e-01 1.776e-02 1.159e-02 5.739e-03 / CHEB/ -1.343e-01 6.642e-03 4.364e-03 2.191e-03 / CHEB/ -2.832e-02 -2.457e-03 -1.568e-03 -7.425e-04 /

2120.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+8.4	+9.6	+9.4	+8.9
log₁₀(k(10 bar)/[mole,m,s])	+8.9	+10.3	+10.3	+9.9

Chebyshev(coeffs=[[8.05324,1.30068,-0.257912,-0.0259638],[1.47096,0.503655,0.118769,-0.0345085],[-0.260258,0.0446681,0.050368,0.0206814],[-0.192465,0.0605929,0.0200861,0.00479708],[-0.11676,0.0204315,0.016565,0.006408],[-0.0558899,-0.00635637,0.00640931,0.00594112]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.57
S298 (cal/mol*K) = 1.74
G298 (kcal/mol) = -4.09

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(268); C7H11(40)(+M)=>C7H11(268)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.053e+00 1.301e+00 -2.579e-01 -2.596e-02 / CHEB/ 1.471e+00 5.037e-01 1.188e-01 -3.451e-02 / CHEB/ -2.603e-01 4.467e-02 5.037e-02 2.068e-02 / CHEB/ -1.925e-01 6.059e-02 2.009e-02 4.797e-03 / CHEB/ -1.168e-01 2.043e-02 1.656e-02 6.408e-03 / CHEB/ -5.589e-02 -6.356e-03 6.409e-03 5.941e-03 /

2121.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.8	-14.7	-6.6	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-38.8	-13.7	-5.6	-1.8

Chebyshev(coeffs=[[-37.6061,1.99758,-0.00168112,-0.000930275],[35.0697,-0.00013098,-9.08168e-05,-5.01018e-05],[0.026167,0.000359622,0.000249202,0.000137345],[-0.166453,0.000923294,0.000641024,0.000354417],[-0.117111,0.000638169,0.000442862,0.000244667],[-0.0293411,0.00011419,7.91838e-05,4.36923e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 112.85
S298 (cal/mol*K) = 22.52
G298 (kcal/mol) = 106.14

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(288); C7H11(40)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.761e+01 1.998e+00 -1.681e-03 -9.303e-04 / CHEB/ 3.507e+01 -1.310e-04 -9.082e-05 -5.010e-05 / CHEB/ 2.617e-02 3.596e-04 2.492e-04 1.373e-04 / CHEB/ -1.665e-01 9.233e-04 6.410e-04 3.544e-04 / CHEB/ -1.171e-01 6.382e-04 4.429e-04 2.447e-04 / CHEB/ -2.934e-02 1.142e-04 7.918e-05 4.369e-05 /

2297.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.1	-2.3	+2.6	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-19.1	-2.4	+2.8	+5.1

Chebyshev(coeffs=[[-18.0833,0.153414,-0.100199,-0.0130255],[23.4309,0.402023,-0.0688957,0.0175257],[-0.46934,0.243808,-0.0415727,-0.00815912],[-0.225431,0.136398,0.00174231,-0.0117256],[-0.121576,0.0708044,0.0189843,-0.00590192],[-0.0689008,0.0366376,0.0140315,0.000176601]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.37
S298 (cal/mol*K) = 28.15
G298 (kcal/mol) = 69.98

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C4H5(156); C7H10(146), C3H5(98); C7H10(146)(+M)=>C4H5(156)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.808e+01 1.534e-01 -1.002e-01 -1.303e-02 / CHEB/ 2.343e+01 4.020e-01 -6.890e-02 1.753e-02 / CHEB/ -4.693e-01 2.438e-01 -4.157e-02 -8.159e-03 / CHEB/ -2.254e-01 1.364e-01 1.742e-03 -1.173e-02 / CHEB/ -1.216e-01 7.080e-02 1.898e-02 -5.902e-03 / CHEB/ -6.890e-02 3.664e-02 1.403e-02 1.766e-04 /

2298.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.3	-7.8	-1.6	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-28.3	-7.7	-1.2	+1.6

Chebyshev(coeffs=[[-26.9701,0.354062,-0.119617,0.006343],[28.6518,0.584316,-0.0991747,0.00147562],[-0.465484,0.302876,-0.0108449,-0.0232269],[-0.232917,0.117572,0.0321297,-0.0163819],[-0.122671,0.0403847,0.0269986,-0.00168047],[-0.0687991,0.021743,0.00837806,0.00492253]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.30
S298 (cal/mol*K) = 18.91
G298 (kcal/mol) = 89.67

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(157); C7H10(146)(+M)=>H(25)+C7H9(157)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.697e+01 3.541e-01 -1.196e-01 6.343e-03 / CHEB/ 2.865e+01 5.843e-01 -9.917e-02 1.476e-03 / CHEB/ -4.655e-01 3.029e-01 -1.084e-02 -2.323e-02 / CHEB/ -2.329e-01 1.176e-01 3.213e-02 -1.638e-02 / CHEB/ -1.227e-01 4.038e-02 2.700e-02 -1.680e-03 / CHEB/ -6.880e-02 2.174e-02 8.378e-03 4.923e-03 /

2299.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.4	-9.2	-2.5	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-32.3	-8.8	-1.8	+1.2

Chebyshev(coeffs=[[-31.2995,0.704212,-0.18821,0.0227111],[32.8498,0.769269,-0.0415268,-0.045147],[-0.805657,0.253922,0.0593031,-0.0268088],[-0.299822,0.0259334,0.0473536,0.0037932],[-0.125619,-0.00997387,0.0122253,0.0101029],[-0.0676387,0.00851677,-0.00249885,0.0033188]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 112.22
S298 (cal/mol*K) = 38.35
G298 (kcal/mol) = 100.80

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C5H7(158); C7H10(146), C2H3(100); C7H10(146)(+M)=>C5H7(158)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.130e+01 7.042e-01 -1.882e-01 2.271e-02 / CHEB/ 3.285e+01 7.693e-01 -4.153e-02 -4.515e-02 / CHEB/ -8.057e-01 2.539e-01 5.930e-02 -2.681e-02 / CHEB/ -2.998e-01 2.593e-02 4.735e-02 3.793e-03 / CHEB/ -1.256e-01 -9.974e-03 1.223e-02 1.010e-02 / CHEB/ -6.764e-02 8.517e-03 -2.499e-03 3.319e-03 /

2300.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.7	-8.5	-2.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-29.8	-8.3	-1.7	+1.3

Chebyshev(coeffs=[[-28.4127,0.419319,-0.129552,0.0100053],[29.7301,0.644457,-0.0975044,-0.00529736],[-0.467412,0.311974,0.00292888,-0.0271504],[-0.235533,0.104983,0.0400681,-0.0148225],[-0.120897,0.0287006,0.0269087,0.00124544],[-0.0672048,0.0166963,0.00593872,0.00583662]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.37
S298 (cal/mol*K) = 19.67
G298 (kcal/mol) = 91.51

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(159); C7H10(146)(+M)=>H(25)+C7H9(159)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.841e+01 4.193e-01 -1.296e-01 1.001e-02 / CHEB/ 2.973e+01 6.445e-01 -9.750e-02 -5.297e-03 / CHEB/ -4.674e-01 3.120e-01 2.929e-03 -2.715e-02 / CHEB/ -2.355e-01 1.050e-01 4.007e-02 -1.482e-02 / CHEB/ -1.209e-01 2.870e-02 2.691e-02 1.245e-03 / CHEB/ -6.720e-02 1.670e-02 5.939e-03 5.837e-03 /

2301.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.7	-10.3	-3.6	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-32.8	-10.1	-3.1	+0.0

Chebyshev(coeffs=[[-31.3985,0.524328,-0.149887,0.0160167],[31.4593,0.713411,-0.085776,-0.0193133],[-0.51253,0.302657,0.0262477,-0.0309113],[-0.239191,0.0755008,0.0479226,-0.00925027],[-0.115341,0.0105022,0.0231605,0.00594787],[-0.0639361,0.0113714,0.0019261,0.00593222]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.10
S298 (cal/mol*K) = 18.79
G298 (kcal/mol) = 97.50

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(160); C7H10(146)(+M)=>H(25)+C7H9(160)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.140e+01 5.243e-01 -1.499e-01 1.602e-02 / CHEB/ 3.146e+01 7.134e-01 -8.578e-02 -1.931e-02 / CHEB/ -5.125e-01 3.027e-01 2.625e-02 -3.091e-02 / CHEB/ -2.392e-01 7.550e-02 4.792e-02 -9.250e-03 / CHEB/ -1.153e-01 1.050e-02 2.316e-02 5.948e-03 / CHEB/ -6.394e-02 1.137e-02 1.926e-03 5.932e-03 /

2302.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-40.9	-14.9	-6.9	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-40.6	-14.2	-6.0	-2.3

Chebyshev(coeffs=[[-39.4847,1.02223,-0.239352,0.0133523],[37.0956,0.728165,0.0675898,-0.0635905],[-0.587961,0.149241,0.0784302,-0.000117054],[-0.20292,-0.0282706,0.0223158,0.0165556],[-0.0847398,-0.0210902,-0.00463694,0.0062819],[-0.0565121,0.00995342,-0.00275782,-0.00153084]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 124.40
S298 (cal/mol*K) = 24.41
G298 (kcal/mol) = 117.13

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(161); C7H10(146)(+M)=>H(25)+C7H9(161)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.948e+01 1.022e+00 -2.394e-01 1.335e-02 / CHEB/ 3.710e+01 7.282e-01 6.759e-02 -6.359e-02 / CHEB/ -5.880e-01 1.492e-01 7.843e-02 -1.171e-04 / CHEB/ -2.029e-01 -2.827e-02 2.232e-02 1.656e-02 / CHEB/ -8.474e-02 -2.109e-02 -4.637e-03 6.282e-03 / CHEB/ -5.651e-02 9.953e-03 -2.758e-03 -1.531e-03 /

2303.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-40.9	-14.9	-6.9	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-40.6	-14.2	-6.0	-2.3

H298 (kcal/mol) = 124.40
S298 (cal/mol*K) = 24.41
G298 (kcal/mol) = 117.13

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(162); C7H10(146)(+M)=>H(25)+C7H9(162)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.948e+01 1.022e+00 -2.394e-01 1.335e-02 / CHEB/ 3.710e+01 7.282e-01 6.759e-02 -6.359e-02 / CHEB/ -5.880e-01 1.492e-01 7.843e-02 -1.171e-04 / CHEB/ -2.029e-01 -2.827e-02 2.232e-02 1.656e-02 / CHEB/ -8.474e-02 -2.109e-02 -4.637e-03 6.282e-03 / CHEB/ -5.651e-02 9.953e-03 -2.758e-03 -1.531e-03 /

2304.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.2	-13.9	-6.2	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-39.1	-13.3	-5.4	-1.8

Chebyshev(coeffs=[[-37.9034,0.912933,-0.225473,0.0200055],[36.0557,0.759786,0.0295976,-0.0631657],[-0.590525,0.184639,0.0777242,-0.0100749],[-0.213723,-0.014501,0.0326857,0.0145047],[-0.0905178,-0.0198922,2.73614e-05,0.00858389],[-0.0571223,0.00903631,-0.00355909,-0.000239707]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 120.90
S298 (cal/mol*K) = 24.41
G298 (kcal/mol) = 113.63

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(163); C7H10(146)(+M)=>H(25)+C7H9(163)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.790e+01 9.129e-01 -2.255e-01 2.001e-02 / CHEB/ 3.606e+01 7.598e-01 2.960e-02 -6.317e-02 / CHEB/ -5.905e-01 1.846e-01 7.772e-02 -1.007e-02 / CHEB/ -2.137e-01 -1.450e-02 3.269e-02 1.450e-02 / CHEB/ -9.052e-02 -1.989e-02 2.736e-05 8.584e-03 / CHEB/ -5.712e-02 9.036e-03 -3.559e-03 -2.397e-04 /

2305.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.3	-13.5	-5.6	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-39.1	-12.8	-4.7	-1.0

Chebyshev(coeffs=[[-37.8703,0.976035,-0.234072,0.0165885],[36.7546,0.743487,0.0517522,-0.0642442],[-0.568307,0.163875,0.0788364,-0.00424662],[-0.201455,-0.0230198,0.0267816,0.0159898],[-0.0850803,-0.0208236,-0.00284933,0.00731861],[-0.0559909,0.00955104,-0.00318325,-0.00104917]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 123.10
S298 (cal/mol*K) = 23.99
G298 (kcal/mol) = 115.95

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), H(25); C7H10(146), C7H9(164); C7H10(146)(+M)=>H(25)+C7H9(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.787e+01 9.760e-01 -2.341e-01 1.659e-02 / CHEB/ 3.675e+01 7.435e-01 5.175e-02 -6.424e-02 / CHEB/ -5.683e-01 1.639e-01 7.884e-02 -4.247e-03 / CHEB/ -2.015e-01 -2.302e-02 2.678e-02 1.599e-02 / CHEB/ -8.508e-02 -2.082e-02 -2.849e-03 7.319e-03 / CHEB/ -5.599e-02 9.551e-03 -3.183e-03 -1.049e-03 /

2306.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-3.8	+1.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-3.8	+1.3	+3.6

Chebyshev(coeffs=[[-19.0223,0.116534,-0.101876,-0.0177741],[22.7566,0.373784,-0.0577313,0.0199992],[-0.38284,0.227073,-0.0438126,-0.00589042],[-0.193967,0.134448,-0.0034329,-0.00989733],[-0.109879,0.0745254,0.0162694,-0.00542523],[-0.0642256,0.0392483,0.0140938,-0.000459169]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.82
S298 (cal/mol*K) = 5.62
G298 (kcal/mol) = 68.15

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(165); C7H10(146)(+M)=>C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.902e+01 1.165e-01 -1.019e-01 -1.777e-02 / CHEB/ 2.276e+01 3.738e-01 -5.773e-02 2.000e-02 / CHEB/ -3.828e-01 2.271e-01 -4.381e-02 -5.890e-03 / CHEB/ -1.940e-01 1.344e-01 -3.433e-03 -9.897e-03 / CHEB/ -1.099e-01 7.453e-02 1.627e-02 -5.425e-03 / CHEB/ -6.423e-02 3.925e-02 1.409e-02 -4.592e-04 /

2307.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.5	-5.6	-0.2	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-23.5	-5.6	+0.1	+2.6

Chebyshev(coeffs=[[-22.3267,0.193276,-0.100709,-0.00834299],[25.0075,0.436451,-0.0792055,0.0148592],[-0.374377,0.26062,-0.0377335,-0.010904],[-0.201501,0.136511,0.00785965,-0.0135885],[-0.114636,0.0659264,0.0216649,-0.00599013],[-0.0668624,0.0336999,0.0135257,0.00107502]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.09
S298 (cal/mol*K) = 4.72
G298 (kcal/mol) = 75.69

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(58); C7H10(146)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.233e+01 1.933e-01 -1.007e-01 -8.343e-03 / CHEB/ 2.501e+01 4.365e-01 -7.921e-02 1.486e-02 / CHEB/ -3.744e-01 2.606e-01 -3.773e-02 -1.090e-02 / CHEB/ -2.015e-01 1.365e-01 7.860e-03 -1.359e-02 / CHEB/ -1.146e-01 6.593e-02 2.166e-02 -5.990e-03 / CHEB/ -6.686e-02 3.370e-02 1.353e-02 1.075e-03 /

2308.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-3.7	+1.3	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-3.7	+1.4	+3.8

Chebyshev(coeffs=[[-19.0297,0.117975,-0.101793,-0.0175877],[22.9104,0.374916,-0.0581651,0.0199188],[-0.357263,0.22772,-0.0437689,-0.00598682],[-0.187223,0.134565,-0.00323129,-0.00996966],[-0.107599,0.074394,0.0163826,-0.00544958],[-0.063433,0.039145,0.0140978,-0.000437936]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.22
S298 (cal/mol*K) = 6.27
G298 (kcal/mol) = 68.36

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(166); C7H10(146)(+M)=>C7H10(166)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.903e+01 1.180e-01 -1.018e-01 -1.759e-02 / CHEB/ 2.291e+01 3.749e-01 -5.817e-02 1.992e-02 / CHEB/ -3.573e-01 2.277e-01 -4.377e-02 -5.987e-03 / CHEB/ -1.872e-01 1.346e-01 -3.231e-03 -9.970e-03 / CHEB/ -1.076e-01 7.439e-02 1.638e-02 -5.450e-03 / CHEB/ -6.343e-02 3.915e-02 1.410e-02 -4.379e-04 /

2309.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.3	-7.2	-1.7	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-25.3	-7.1	-1.4	+1.2

Chebyshev(coeffs=[[-24.0264,0.206393,-0.10138,-0.00771535],[25.221,0.454695,-0.080527,0.0145145],[-0.339277,0.269858,-0.0364709,-0.0117277],[-0.196573,0.138767,0.00986762,-0.0141065],[-0.114575,0.0651141,0.0227502,-0.00597015],[-0.0673348,0.0325793,0.0135503,0.00135099]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.83
S298 (cal/mol*K) = 0.55
G298 (kcal/mol) = 58.67

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(167); C7H10(146)(+M)=>C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.403e+01 2.064e-01 -1.014e-01 -7.715e-03 / CHEB/ 2.522e+01 4.547e-01 -8.053e-02 1.451e-02 / CHEB/ -3.393e-01 2.699e-01 -3.647e-02 -1.173e-02 / CHEB/ -1.966e-01 1.388e-01 9.868e-03 -1.411e-02 / CHEB/ -1.146e-01 6.511e-02 2.275e-02 -5.970e-03 / CHEB/ -6.733e-02 3.258e-02 1.355e-02 1.351e-03 /

2310.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.1	-5.5	+0.2	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-24.2	-5.4	+0.5	+3.1

Chebyshev(coeffs=[[-22.8908,0.238016,-0.103555,-0.00416002],[26.0347,0.481787,-0.087395,0.0120638],[-0.376234,0.279631,-0.0320587,-0.0141895],[-0.208276,0.135886,0.0149917,-0.0152662],[-0.117976,0.0601362,0.0243383,-0.00553181],[-0.0683609,0.0301957,0.0126536,0.00220147]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.22
S298 (cal/mol*K) = 6.27
G298 (kcal/mol) = 68.36

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(168); C7H10(146)(+M)=>C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.289e+01 2.380e-01 -1.036e-01 -4.160e-03 / CHEB/ 2.603e+01 4.818e-01 -8.739e-02 1.206e-02 / CHEB/ -3.762e-01 2.796e-01 -3.206e-02 -1.419e-02 / CHEB/ -2.083e-01 1.359e-01 1.499e-02 -1.527e-02 / CHEB/ -1.180e-01 6.014e-02 2.434e-02 -5.532e-03 / CHEB/ -6.836e-02 3.020e-02 1.265e-02 2.201e-03 /

2311.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.6	-5.5	-0.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-22.6	-5.5	-0.1	+2.4

Chebyshev(coeffs=[[-21.3587,0.150529,-0.101366,-0.0147978],[23.7092,0.412121,-0.0645325,0.0188274],[-0.270604,0.249505,-0.0421201,-0.00784501],[-0.172327,0.140985,0.00115485,-0.0115588],[-0.106451,0.0731679,0.0192036,-0.00593942],[-0.0645254,0.0369156,0.0145312,3.32118e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.04
S298 (cal/mol*K) = -3.41
G298 (kcal/mol) = 63.06

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(169); C7H10(146)(+M)=>C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.136e+01 1.505e-01 -1.014e-01 -1.480e-02 / CHEB/ 2.371e+01 4.121e-01 -6.453e-02 1.883e-02 / CHEB/ -2.706e-01 2.495e-01 -4.212e-02 -7.845e-03 / CHEB/ -1.723e-01 1.410e-01 1.155e-03 -1.156e-02 / CHEB/ -1.065e-01 7.317e-02 1.920e-02 -5.939e-03 / CHEB/ -6.453e-02 3.692e-02 1.453e-02 3.321e-05 /

2312.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.7	-5.2	+0.4	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-23.8	-5.2	+0.7	+3.3

Chebyshev(coeffs=[[-22.5278,0.227888,-0.102863,-0.00465697],[25.8817,0.46835,-0.0864673,0.0124545],[-0.393917,0.273492,-0.0333117,-0.0135062],[-0.209543,0.134931,0.0133832,-0.014947],[-0.117661,0.0610963,0.0236282,-0.00565454],[-0.0680658,0.0310985,0.0127517,0.00196253]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.82
S298 (cal/mol*K) = 7.00
G298 (kcal/mol) = 67.74

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(170); C7H10(146)(+M)=>C7H10(170)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.253e+01 2.279e-01 -1.029e-01 -4.657e-03 / CHEB/ 2.588e+01 4.684e-01 -8.647e-02 1.245e-02 / CHEB/ -3.939e-01 2.735e-01 -3.331e-02 -1.351e-02 / CHEB/ -2.095e-01 1.349e-01 1.338e-02 -1.495e-02 / CHEB/ -1.177e-01 6.110e-02 2.363e-02 -5.655e-03 / CHEB/ -6.807e-02 3.110e-02 1.275e-02 1.963e-03 /

2313.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-5.3	-0.7	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-20.3	-5.4	-0.6	+1.7

Chebyshev(coeffs=[[-19.2585,0.0364812,-0.115179,-0.0297711],[20.9249,0.342403,-0.0266826,0.0266497],[-0.231916,0.19435,-0.0451606,-0.00195996],[-0.143136,0.127515,-0.0121544,-0.00655877],[-0.0896426,0.0806572,0.0109243,-0.00378023],[-0.0558082,0.0443116,0.0133441,-0.00108772]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.83
S298 (cal/mol*K) = 0.55
G298 (kcal/mol) = 58.67

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(76); C7H10(146)(+M)=>C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.926e+01 3.648e-02 -1.152e-01 -2.977e-02 / CHEB/ 2.092e+01 3.424e-01 -2.668e-02 2.665e-02 / CHEB/ -2.319e-01 1.943e-01 -4.516e-02 -1.960e-03 / CHEB/ -1.431e-01 1.275e-01 -1.215e-02 -6.559e-03 / CHEB/ -8.964e-02 8.066e-02 1.092e-02 -3.780e-03 / CHEB/ -5.581e-02 4.431e-02 1.334e-02 -1.088e-03 /

2314.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.1	-3.8	+0.3	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-3.9	+0.3	+2.3

Chebyshev(coeffs=[[-16.2894,-0.0635441,-0.140178,-0.0423106],[18.6802,0.325215,0.0103587,0.0316487],[-0.251045,0.154416,-0.0409145,0.00264007],[-0.132482,0.109139,-0.018497,-0.00366113],[-0.0776958,0.0807058,0.00551694,-0.0018288],[-0.0481061,0.0481288,0.0110231,-0.00078071]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.39
S298 (cal/mol*K) = -1.70
G298 (kcal/mol) = 59.90

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(171); C7H10(146)(+M)=>C7H10(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.629e+01 -6.354e-02 -1.402e-01 -4.231e-02 / CHEB/ 1.868e+01 3.252e-01 1.036e-02 3.165e-02 / CHEB/ -2.510e-01 1.544e-01 -4.091e-02 2.640e-03 / CHEB/ -1.325e-01 1.091e-01 -1.850e-02 -3.661e-03 / CHEB/ -7.770e-02 8.071e-02 5.517e-03 -1.829e-03 / CHEB/ -4.811e-02 4.813e-02 1.102e-02 -7.807e-04 /

2315.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.6	-8.2	-2.9	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-25.6	-8.2	-2.7	-0.2

Chebyshev(coeffs=[[-24.3594,0.165056,-0.100557,-0.0123828],[24.1821,0.41825,-0.0702918,0.0173316],[-0.311955,0.252722,-0.0408158,-0.00884191],[-0.184089,0.139192,0.00339362,-0.0122689],[-0.109625,0.0705213,0.0200475,-0.00601789],[-0.0653294,0.0357779,0.0141962,0.000369916]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.84
S298 (cal/mol*K) = -3.53
G298 (kcal/mol) = 70.90

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(55); C7H10(146)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.436e+01 1.651e-01 -1.006e-01 -1.238e-02 / CHEB/ 2.418e+01 4.182e-01 -7.029e-02 1.733e-02 / CHEB/ -3.120e-01 2.527e-01 -4.082e-02 -8.842e-03 / CHEB/ -1.841e-01 1.392e-01 3.394e-03 -1.227e-02 / CHEB/ -1.096e-01 7.052e-02 2.005e-02 -6.018e-03 / CHEB/ -6.533e-02 3.578e-02 1.420e-02 3.699e-04 /

2316.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.9	-12.3	-5.8	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-34.0	-12.0	-5.3	-2.2

Chebyshev(coeffs=[[-32.6215,0.457557,-0.137251,0.0125953],[30.4137,0.670193,-0.0946698,-0.0103347],[-0.494935,0.309259,0.0114672,-0.0290226],[-0.239905,0.0942513,0.0434753,-0.013119],[-0.119726,0.0218579,0.0257845,0.00305035],[-0.0662262,0.0146816,0.00438777,0.00603163]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.14
S298 (cal/mol*K) = 2.09
G298 (kcal/mol) = 90.52

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(172); C7H10(146)(+M)=>C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.262e+01 4.576e-01 -1.373e-01 1.260e-02 / CHEB/ 3.041e+01 6.702e-01 -9.467e-02 -1.033e-02 / CHEB/ -4.949e-01 3.093e-01 1.147e-02 -2.902e-02 / CHEB/ -2.399e-01 9.425e-02 4.348e-02 -1.312e-02 / CHEB/ -1.197e-01 2.186e-02 2.578e-02 3.050e-03 / CHEB/ -6.623e-02 1.468e-02 4.388e-03 6.032e-03 /

2317.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.3	-10.5	-4.2	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-31.3	-10.3	-3.8	-0.9

Chebyshev(coeffs=[[-30.0224,0.385408,-0.125073,0.0086003],[29.1915,0.610604,-0.0991423,-0.00195611],[-0.493636,0.305713,-0.00426886,-0.0253175],[-0.240361,0.110931,0.0359701,-0.0157688],[-0.123602,0.0348279,0.0269114,-0.000283016],[-0.0686741,0.0195989,0.00714343,0.0054006]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.32
S298 (cal/mol*K) = 3.57
G298 (kcal/mol) = 81.26

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(173); C7H10(146)(+M)=>C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.002e+01 3.854e-01 -1.251e-01 8.600e-03 / CHEB/ 2.919e+01 6.106e-01 -9.914e-02 -1.956e-03 / CHEB/ -4.936e-01 3.057e-01 -4.269e-03 -2.532e-02 / CHEB/ -2.404e-01 1.109e-01 3.597e-02 -1.577e-02 / CHEB/ -1.236e-01 3.483e-02 2.691e-02 -2.830e-04 / CHEB/ -6.867e-02 1.960e-02 7.143e-03 5.401e-03 /

2318.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-7.0	-2.0	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-7.0	-1.8	+0.6

Chebyshev(coeffs=[[-22.4714,0.125075,-0.101335,-0.0166527],[23.1584,0.380133,-0.0603938,0.0194512],[-0.3469,0.230989,-0.0434378,-0.00641207],[-0.185804,0.135063,-0.00227222,-0.0103235],[-0.107382,0.0737351,0.0169176,-0.0055639],[-0.0634571,0.0386495,0.0141133,-0.000330416]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.19
S298 (cal/mol*K) = -1.82
G298 (kcal/mol) = 67.74

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(174); C7H10(146)(+M)=>C7H10(174)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.247e+01 1.251e-01 -1.013e-01 -1.665e-02 / CHEB/ 2.316e+01 3.801e-01 -6.039e-02 1.945e-02 / CHEB/ -3.469e-01 2.310e-01 -4.344e-02 -6.412e-03 / CHEB/ -1.858e-01 1.351e-01 -2.272e-03 -1.032e-02 / CHEB/ -1.074e-01 7.374e-02 1.692e-02 -5.564e-03 / CHEB/ -6.346e-02 3.865e-02 1.411e-02 -3.304e-04 /

2319.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.9	-10.9	-4.7	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-31.9	-10.8	-4.3	-1.4

Chebyshev(coeffs=[[-30.6607,0.405995,-0.128781,0.00995028],[29.4055,0.627368,-0.0985377,-0.00430725],[-0.535477,0.306631,0.000187034,-0.0265751],[-0.253134,0.106119,0.0382905,-0.0151689],[-0.126581,0.0311337,0.0266733,0.000674128],[-0.0693561,0.0182561,0.00632387,0.00564196]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.49
S298 (cal/mol*K) = 3.80
G298 (kcal/mol) = 87.36

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(175); C7H10(146)(+M)=>C7H10(175)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.066e+01 4.060e-01 -1.288e-01 9.950e-03 / CHEB/ 2.941e+01 6.274e-01 -9.854e-02 -4.307e-03 / CHEB/ -5.355e-01 3.066e-01 1.870e-04 -2.658e-02 / CHEB/ -2.531e-01 1.061e-01 3.829e-02 -1.517e-02 / CHEB/ -1.266e-01 3.113e-02 2.667e-02 6.741e-04 / CHEB/ -6.936e-02 1.826e-02 6.324e-03 5.642e-03 /

2320.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.5	-9.7	-3.8	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-29.5	-9.6	-3.4	-0.7

Chebyshev(coeffs=[[-28.2192,0.309799,-0.112577,0.00286082],[27.6334,0.54495,-0.0971252,0.00582377],[-0.467793,0.295873,-0.0196135,-0.0199457],[-0.233617,0.125522,0.0260471,-0.0165881],[-0.124637,0.0480539,0.0265154,-0.00346085],[-0.0700565,0.0249413,0.0100778,0.00403207]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.32
S298 (cal/mol*K) = 3.57
G298 (kcal/mol) = 81.26

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(176); C7H10(146)(+M)=>C7H10(176)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.822e+01 3.098e-01 -1.126e-01 2.861e-03 / CHEB/ 2.763e+01 5.449e-01 -9.713e-02 5.824e-03 / CHEB/ -4.678e-01 2.959e-01 -1.961e-02 -1.995e-02 / CHEB/ -2.336e-01 1.255e-01 2.605e-02 -1.659e-02 / CHEB/ -1.246e-01 4.805e-02 2.652e-02 -3.461e-03 / CHEB/ -7.006e-02 2.494e-02 1.008e-02 4.032e-03 /

2321.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.6	-12.0	-5.5	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-33.6	-11.8	-5.0	-2.0

Chebyshev(coeffs=[[-32.2795,0.445261,-0.136196,0.012458],[30.3076,0.656408,-0.0958856,-0.00923068],[-0.506053,0.306413,0.00876923,-0.028559],[-0.240979,0.0963566,0.0420717,-0.0136116],[-0.12036,0.0242443,0.0258392,0.00248655],[-0.0666752,0.015924,0.00480889,0.00591912]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.14
S298 (cal/mol*K) = 2.09
G298 (kcal/mol) = 90.52

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(177); C7H10(146)(+M)=>C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.228e+01 4.453e-01 -1.362e-01 1.246e-02 / CHEB/ 3.031e+01 6.564e-01 -9.589e-02 -9.231e-03 / CHEB/ -5.061e-01 3.064e-01 8.769e-03 -2.856e-02 / CHEB/ -2.410e-01 9.636e-02 4.207e-02 -1.361e-02 / CHEB/ -1.204e-01 2.424e-02 2.584e-02 2.487e-03 / CHEB/ -6.668e-02 1.592e-02 4.809e-03 5.919e-03 /

2322.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.5	-9.4	-3.5	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-29.5	-9.3	-3.1	-0.3

Chebyshev(coeffs=[[-28.1993,0.322527,-0.114511,0.00385787],[27.9883,0.556852,-0.0979918,0.00469421],[-0.451128,0.298227,-0.0171591,-0.0209509],[-0.230736,0.123385,0.0279035,-0.0166137],[-0.122971,0.0458563,0.0267349,-0.00297233],[-0.0692452,0.0239967,0.00958991,0.00431564]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.52
S298 (cal/mol*K) = 3.15
G298 (kcal/mol) = 83.59

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(178); C7H10(146)(+M)=>C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.820e+01 3.225e-01 -1.145e-01 3.858e-03 / CHEB/ 2.799e+01 5.569e-01 -9.799e-02 4.694e-03 / CHEB/ -4.511e-01 2.982e-01 -1.716e-02 -2.095e-02 / CHEB/ -2.307e-01 1.234e-01 2.790e-02 -1.661e-02 / CHEB/ -1.230e-01 4.586e-02 2.673e-02 -2.972e-03 / CHEB/ -6.925e-02 2.400e-02 9.590e-03 4.316e-03 /

2323.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.9	-10.9	-4.7	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-31.9	-10.8	-4.3	-1.4

H298 (kcal/mol) = 88.49
S298 (cal/mol*K) = 3.80
G298 (kcal/mol) = 87.36

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(179); C7H10(146)(+M)=>C7H10(179)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.066e+01 4.060e-01 -1.288e-01 9.950e-03 / CHEB/ 2.941e+01 6.274e-01 -9.854e-02 -4.307e-03 / CHEB/ -5.355e-01 3.066e-01 1.870e-04 -2.658e-02 / CHEB/ -2.531e-01 1.061e-01 3.829e-02 -1.517e-02 / CHEB/ -1.266e-01 3.113e-02 2.667e-02 6.741e-04 / CHEB/ -6.936e-02 1.826e-02 6.324e-03 5.642e-03 /

2324.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-9.4	-3.5	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-29.0	-9.3	-3.2	-0.5

Chebyshev(coeffs=[[-27.7013,0.291154,-0.109929,0.00127416],[27.3287,0.527836,-0.0954982,0.00749867],[-0.435082,0.29182,-0.0230601,-0.0185032],[-0.224277,0.128303,0.0232987,-0.0164385],[-0.121883,0.0511792,0.0260869,-0.00410549],[-0.069264,0.0263276,0.0107555,0.00359563]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.52
S298 (cal/mol*K) = 3.15
G298 (kcal/mol) = 83.59

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(180); C7H10(146)(+M)=>C7H10(180)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.770e+01 2.912e-01 -1.099e-01 1.274e-03 / CHEB/ 2.733e+01 5.278e-01 -9.550e-02 7.499e-03 / CHEB/ -4.351e-01 2.918e-01 -2.306e-02 -1.850e-02 / CHEB/ -2.243e-01 1.283e-01 2.330e-02 -1.644e-02 / CHEB/ -1.219e-01 5.118e-02 2.609e-02 -4.105e-03 / CHEB/ -6.926e-02 2.633e-02 1.076e-02 3.596e-03 /

2325.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.3	-5.0	+0.5	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-23.3	-5.0	+0.8	+3.4

Chebyshev(coeffs=[[-22.1153,0.215102,-0.101888,-0.00597156],[25.5704,0.456348,-0.0839873,0.0133458],[-0.38614,0.268958,-0.0350482,-0.0125177],[-0.20605,0.135694,0.011327,-0.0144807],[-0.116494,0.0629411,0.0229463,-0.00582451],[-0.0676465,0.0320653,0.0130712,0.00162715]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.38
S298 (cal/mol*K) = 9.86
G298 (kcal/mol) = 79.45

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(181); C7H10(146)(+M)=>C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.212e+01 2.151e-01 -1.019e-01 -5.972e-03 / CHEB/ 2.557e+01 4.563e-01 -8.399e-02 1.335e-02 / CHEB/ -3.861e-01 2.690e-01 -3.505e-02 -1.252e-02 / CHEB/ -2.060e-01 1.357e-01 1.133e-02 -1.448e-02 / CHEB/ -1.165e-01 6.294e-02 2.295e-02 -5.825e-03 / CHEB/ -6.765e-02 3.207e-02 1.307e-02 1.627e-03 /

2326.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	+2.1	+5.3	+6.7
log₁₀(k(10 bar)/[mole,m,s])	-8.1	+2.0	+5.2	+6.8

Chebyshev(coeffs=[[-7.22992,-0.433802,-0.237533,-0.0366653],[14.0345,0.526965,0.105715,-0.00174671],[-0.108875,0.104772,-0.00684228,0.0196132],[-0.0783986,0.0549031,-0.0243679,0.00433009],[-0.0400698,0.0693571,-0.00431202,-0.00139111],[-0.0257645,0.0524344,0.00599506,-0.00017367]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.93
S298 (cal/mol*K) = 1.04
G298 (kcal/mol) = 42.62

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(89); C7H10(146)(+M)=>C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.230e+00 -4.338e-01 -2.375e-01 -3.667e-02 / CHEB/ 1.403e+01 5.270e-01 1.057e-01 -1.747e-03 / CHEB/ -1.089e-01 1.048e-01 -6.842e-03 1.961e-02 / CHEB/ -7.840e-02 5.490e-02 -2.437e-02 4.330e-03 / CHEB/ -4.007e-02 6.936e-02 -4.312e-03 -1.391e-03 / CHEB/ -2.576e-02 5.243e-02 5.995e-03 -1.737e-04 /

2327.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.6	-5.5	+1.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-27.6	-5.2	+1.7	+4.8

Chebyshev(coeffs=[[-26.2925,0.501021,-0.145829,0.0150674],[31.1192,0.697775,-0.0893428,-0.0162544],[-0.514499,0.304841,0.0211115,-0.0304494],[-0.241013,0.0820354,0.04652,-0.0106984],[-0.117245,0.014509,0.0241377,0.00497233],[-0.0648519,0.0126016,0.00276246,0.00601038]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.23
S298 (cal/mol*K) = 17.51
G298 (kcal/mol) = 78.01

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(182); C7H10(146)(+M)=>C7H10(182)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.629e+01 5.010e-01 -1.458e-01 1.507e-02 / CHEB/ 3.112e+01 6.978e-01 -8.934e-02 -1.625e-02 / CHEB/ -5.145e-01 3.048e-01 2.111e-02 -3.045e-02 / CHEB/ -2.410e-01 8.204e-02 4.652e-02 -1.070e-02 / CHEB/ -1.172e-01 1.451e-02 2.414e-02 4.972e-03 / CHEB/ -6.485e-02 1.260e-02 2.762e-03 6.010e-03 /

2328.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.6	-5.5	+1.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-27.6	-5.2	+1.7	+4.8

H298 (kcal/mol) = 83.23
S298 (cal/mol*K) = 16.14
G298 (kcal/mol) = 78.42

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(183); C7H10(146)(+M)=>C7H10(183)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.629e+01 5.010e-01 -1.458e-01 1.507e-02 / CHEB/ 3.112e+01 6.978e-01 -8.934e-02 -1.625e-02 / CHEB/ -5.145e-01 3.048e-01 2.111e-02 -3.045e-02 / CHEB/ -2.410e-01 8.204e-02 4.652e-02 -1.070e-02 / CHEB/ -1.172e-01 1.451e-02 2.414e-02 4.972e-03 / CHEB/ -6.485e-02 1.260e-02 2.762e-03 6.010e-03 /

2329.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.0	-5.6	+1.1	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-28.0	-5.3	+1.7	+4.8

Chebyshev(coeffs=[[-26.664,0.5161,-0.150145,0.0163612],[31.4838,0.701549,-0.0869237,-0.0188531],[-0.522008,0.299885,0.0242618,-0.0307602],[-0.238516,0.077042,0.0469416,-0.00968197],[-0.115292,0.0124944,0.0232438,0.00554558],[-0.0641705,0.0125117,0.00224464,0.00586717]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.35
S298 (cal/mol*K) = 17.13
G298 (kcal/mol) = 79.24

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(184); C7H10(146)(+M)=>C7H10(184)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.666e+01 5.161e-01 -1.501e-01 1.636e-02 / CHEB/ 3.148e+01 7.015e-01 -8.692e-02 -1.885e-02 / CHEB/ -5.220e-01 2.999e-01 2.426e-02 -3.076e-02 / CHEB/ -2.385e-01 7.704e-02 4.694e-02 -9.682e-03 / CHEB/ -1.153e-01 1.249e-02 2.324e-02 5.546e-03 / CHEB/ -6.417e-02 1.251e-02 2.245e-03 5.867e-03 /

2330.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.9	-9.8	-3.5	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-30.9	-9.6	-3.0	-0.1

Chebyshev(coeffs=[[-29.6039,0.409109,-0.12939,0.0102051],[29.5803,0.62941,-0.0983281,-0.00474176],[-0.514266,0.306729,0.00083245,-0.0267249],[-0.245139,0.105438,0.0385822,-0.0150622],[-0.123942,0.0306145,0.0266245,0.000808691],[-0.0684554,0.0180699,0.00621216,0.00566857]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.62
S298 (cal/mol*K) = -1.68
G298 (kcal/mol) = 90.12

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(185); C7H10(146)(+M)=>C7H10(185)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.960e+01 4.091e-01 -1.294e-01 1.021e-02 / CHEB/ 2.958e+01 6.294e-01 -9.833e-02 -4.742e-03 / CHEB/ -5.143e-01 3.067e-01 8.324e-04 -2.672e-02 / CHEB/ -2.451e-01 1.054e-01 3.858e-02 -1.506e-02 / CHEB/ -1.239e-01 3.061e-02 2.662e-02 8.087e-04 / CHEB/ -6.846e-02 1.807e-02 6.212e-03 5.669e-03 /

2331.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-4.3	-0.0	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-18.4	-4.3	+0.0	+2.0

Chebyshev(coeffs=[[-17.5524,0.00948195,-0.119746,-0.0330291],[19.8097,0.326228,-0.0184916,0.0277536],[-0.378285,0.179867,-0.0442364,-0.000668704],[-0.177469,0.121167,-0.014287,-0.00549459],[-0.0979897,0.0803287,0.00904322,-0.00309872],[-0.0573977,0.0454367,0.0125673,-0.00105406]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.50
S298 (cal/mol*K) = -10.89
G298 (kcal/mol) = 69.74

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(186); C7H10(146)(+M)=>C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.755e+01 9.482e-03 -1.197e-01 -3.303e-02 / CHEB/ 1.981e+01 3.262e-01 -1.849e-02 2.775e-02 / CHEB/ -3.783e-01 1.799e-01 -4.424e-02 -6.687e-04 / CHEB/ -1.775e-01 1.212e-01 -1.429e-02 -5.495e-03 / CHEB/ -9.799e-02 8.033e-02 9.043e-03 -3.099e-03 / CHEB/ -5.740e-02 4.544e-02 1.257e-02 -1.054e-03 /

2332.

→

PDepNetwork #13

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-3.8	+0.4	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-3.8	+0.5	+2.4

Chebyshev(coeffs=[[-16.6929,-0.0138728,-0.125825,-0.0362413],[19.3273,0.323603,-0.00918106,0.0292837],[-0.356227,0.170925,-0.0434713,0.000347809],[-0.16902,0.117454,-0.0158405,-0.00482232],[-0.0933419,0.0807035,0.00780125,-0.00262856],[-0.0550688,0.0464207,0.012075,-0.000998905]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.76
S298 (cal/mol*K) = -9.03
G298 (kcal/mol) = 67.45

! PDep reaction: PDepNetwork #13 ! Flux pairs: C7H10(146), C7H10(52); C7H10(146)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.669e+01 -1.387e-02 -1.258e-01 -3.624e-02 / CHEB/ 1.933e+01 3.236e-01 -9.181e-03 2.928e-02 / CHEB/ -3.562e-01 1.709e-01 -4.347e-02 3.478e-04 / CHEB/ -1.690e-01 1.175e-01 -1.584e-02 -4.822e-03 / CHEB/ -9.334e-02 8.070e-02 7.801e-03 -2.629e-03 / CHEB/ -5.507e-02 4.642e-02 1.207e-02 -9.989e-04 /

2333.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.3	+7.1	+6.7	+6.3
log₁₀(k(10 bar)/[mole,m,s])	+7.3	+7.1	+6.9	+6.6

Chebyshev(coeffs=[[13.103,0.185907,-0.0687153,0.01511],[-0.541828,0.314649,-0.107387,0.0190247],[-0.252606,0.199576,-0.0511775,0.000902939],[-0.12275,0.0974927,-0.00794865,-0.0092045],[-0.0621292,0.0412016,0.00811245,-0.0086903],[-0.0359334,0.0218632,0.00621271,-0.00371475]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -78.75
S298 (cal/mol*K) = -38.31
G298 (kcal/mol) = -67.34

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(146); C2H3(100), C7H10(146); C5H7(210)+C2H3(100)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.310e+01 1.859e-01 -6.872e-02 1.511e-02 / CHEB/ -5.418e-01 3.146e-01 -1.074e-01 1.902e-02 / CHEB/ -2.526e-01 1.996e-01 -5.118e-02 9.029e-04 / CHEB/ -1.227e-01 9.749e-02 -7.949e-03 -9.205e-03 / CHEB/ -6.213e-02 4.120e-02 8.112e-03 -8.690e-03 / CHEB/ -3.593e-02 2.186e-02 6.213e-03 -3.715e-03 /

2334.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+4.0	+3.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+4.0	+4.2	+4.0

Chebyshev(coeffs=[[8.87484,0.12781,-0.129812,0.00996502],[0.883006,0.577945,-0.110683,0.00435832],[-0.109987,0.302413,-0.0252794,-0.00149302],[-0.194077,0.102655,0.00858494,-0.0115503],[-0.125552,0.0292836,0.0197073,-0.00935094],[-0.0297073,0.0170341,0.0110486,-0.00315055]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.25
S298 (cal/mol*K) = -33.43
G298 (kcal/mol) = -25.29

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(18); C2H3(100), C7H10(18); C5H7(210)+C2H3(100)(+M)=>C7H10(18)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.875e+00 1.278e-01 -1.298e-01 9.965e-03 / CHEB/ 8.830e-01 5.779e-01 -1.107e-01 4.358e-03 / CHEB/ -1.100e-01 3.024e-01 -2.528e-02 -1.493e-03 / CHEB/ -1.941e-01 1.027e-01 8.585e-03 -1.155e-02 / CHEB/ -1.256e-01 2.928e-02 1.971e-02 -9.351e-03 / CHEB/ -2.971e-02 1.703e-02 1.105e-02 -3.151e-03 /

2335.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	-0.1	-0.3	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-0.8	-0.2	-0.2	-0.3

Chebyshev(coeffs=[[5.14152,-0.0126715,-0.111217,0.0124096],[0.549093,0.370899,-0.0947943,0.00864457],[-0.230581,0.203304,-0.0317997,0.00411027],[-0.154734,0.075925,-0.00928144,-0.00457014],[-0.0494332,0.0299561,0.00346679,-0.00543548],[-0.0184229,0.0191157,0.00265597,-0.00389591]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -94.83
S298 (cal/mol*K) = -76.09
G298 (kcal/mol) = -72.16

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(1); C2H3(100), C7H10(1); C5H7(210)+C2H3(100)(+M)=>C7H10(1)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.142e+00 -1.267e-02 -1.112e-01 1.241e-02 / CHEB/ 5.491e-01 3.709e-01 -9.479e-02 8.645e-03 / CHEB/ -2.306e-01 2.033e-01 -3.180e-02 4.110e-03 / CHEB/ -1.547e-01 7.593e-02 -9.281e-03 -4.570e-03 / CHEB/ -4.943e-02 2.996e-02 3.467e-03 -5.435e-03 / CHEB/ -1.842e-02 1.912e-02 2.656e-03 -3.896e-03 /

2336.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+4.4	+4.3	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+4.3	+4.3	+4.2

Chebyshev(coeffs=[[9.66399,-0.469691,-0.325048,-0.0217726],[0.406654,0.85537,0.0592913,0.00826503],[-0.111226,0.236112,-0.00589034,0.0232211],[-0.141867,0.0326621,-0.0237869,-0.00318953],[-0.060195,0.0118551,-0.00365552,-0.0101111],[-0.0194368,0.0220736,0.00598438,-0.00493694]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -73.12
S298 (cal/mol*K) = -44.93
G298 (kcal/mol) = -59.73

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(153); C2H3(100), C7H10(153); C5H7(210)+C2H3(100)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.664e+00 -4.697e-01 -3.250e-01 -2.177e-02 / CHEB/ 4.067e-01 8.554e-01 5.929e-02 8.265e-03 / CHEB/ -1.112e-01 2.361e-01 -5.890e-03 2.322e-02 / CHEB/ -1.419e-01 3.266e-02 -2.379e-02 -3.190e-03 / CHEB/ -6.019e-02 1.186e-02 -3.656e-03 -1.011e-02 / CHEB/ -1.944e-02 2.207e-02 5.984e-03 -4.937e-03 /

2337.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	-0.1	-0.5	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-2.5	-1.0	-1.1	-1.6

Chebyshev(coeffs=[[4.15832,-1.36921,-0.354176,0.0576842],[1.02858,0.74651,-0.121782,-0.0303516],[-0.290866,0.274462,0.0179504,-0.010541],[-0.367757,0.137398,0.0120403,-0.00748647],[-0.208571,0.0944768,0.00992464,-0.00931164],[-0.0768053,0.0540174,0.00891873,-0.00585176]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -76.77
S298 (cal/mol*K) = -59.81
G298 (kcal/mol) = -58.94

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(21); C2H3(100), C7H10(21); C5H7(210)+C2H3(100)(+M)=>C7H10(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.158e+00 -1.369e+00 -3.542e-01 5.768e-02 / CHEB/ 1.029e+00 7.465e-01 -1.218e-01 -3.035e-02 / CHEB/ -2.909e-01 2.745e-01 1.795e-02 -1.054e-02 / CHEB/ -3.678e-01 1.374e-01 1.204e-02 -7.486e-03 / CHEB/ -2.086e-01 9.448e-02 9.925e-03 -9.312e-03 / CHEB/ -7.681e-02 5.402e-02 8.919e-03 -5.852e-03 /

2338.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.4	+4.3	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+4.4	+4.4	+4.1

Chebyshev(coeffs=[[9.76613,0.122543,-0.119605,-0.00979276],[0.2398,0.36494,-0.0884111,0.0295373],[-0.0436935,0.18926,-0.0637493,-0.00545983],[-0.167984,0.0959822,-0.00938451,-0.0113587],[-0.151242,0.0464414,0.0133364,-0.00708099],[-0.0777387,0.0266319,0.0107407,-0.00170009]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.85
S298 (cal/mol*K) = -43.13
G298 (kcal/mol) = -54.00

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(238); C2H3(100), C7H10(238); C5H7(210)+C2H3(100)(+M)=>C7H10(238)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.766e+00 1.225e-01 -1.196e-01 -9.793e-03 / CHEB/ 2.398e-01 3.649e-01 -8.841e-02 2.954e-02 / CHEB/ -4.369e-02 1.893e-01 -6.375e-02 -5.460e-03 / CHEB/ -1.680e-01 9.598e-02 -9.385e-03 -1.136e-02 / CHEB/ -1.512e-01 4.644e-02 1.334e-02 -7.081e-03 / CHEB/ -7.774e-02 2.663e-02 1.074e-02 -1.700e-03 /

2339.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+2.2	+2.2	+1.8
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+2.0	+2.2	+2.0

Chebyshev(coeffs=[[6.93789,-0.672488,-0.455153,-0.0667925],[0.917323,1.1066,0.16283,0.0313855],[0.00502081,0.207546,-0.0203926,0.0272903],[-0.196893,0.0147298,-0.0362849,-0.0109054],[-0.155738,0.0239083,0.00399097,-0.0107554],[-0.0748205,0.0322882,0.0146005,-0.00160593]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.17
S298 (cal/mol*K) = -49.74
G298 (kcal/mol) = -46.35

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(187); C2H3(100), C7H10(187); C5H7(210)+C2H3(100)(+M)=>C7H10(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.938e+00 -6.725e-01 -4.552e-01 -6.679e-02 / CHEB/ 9.173e-01 1.107e+00 1.628e-01 3.139e-02 / CHEB/ 5.021e-03 2.075e-01 -2.039e-02 2.729e-02 / CHEB/ -1.969e-01 1.473e-02 -3.628e-02 -1.091e-02 / CHEB/ -1.557e-01 2.391e-02 3.991e-03 -1.076e-02 / CHEB/ -7.482e-02 3.229e-02 1.460e-02 -1.606e-03 /

2340.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+1.0	+1.9	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+1.0	+2.2	+2.5

Chebyshev(coeffs=[[4.41027,0.152294,-0.154652,-0.00094479],[3.16643,0.646227,-0.107891,0.00549093],[0.537451,0.310505,-0.0239012,-0.00639691],[-0.220209,0.0949969,0.0164248,-0.0144203],[-0.171008,0.0182798,0.0233691,-0.0100955],[-0.0341397,0.0111491,0.0102935,-0.0019981]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.03
S298 (cal/mol*K) = -32.85
G298 (kcal/mol) = -6.24

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(38); C2H3(100), C7H10(38); C5H7(210)+C2H3(100)(+M)=>C7H10(38)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.410e+00 1.523e-01 -1.547e-01 -9.448e-04 / CHEB/ 3.166e+00 6.462e-01 -1.079e-01 5.491e-03 / CHEB/ 5.375e-01 3.105e-01 -2.390e-02 -6.397e-03 / CHEB/ -2.202e-01 9.500e-02 1.642e-02 -1.442e-02 / CHEB/ -1.710e-01 1.828e-02 2.337e-02 -1.010e-02 / CHEB/ -3.414e-02 1.115e-02 1.029e-02 -1.998e-03 /

2341.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+0.8	+1.5	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+0.6	+1.6	+2.0

Chebyshev(coeffs=[[3.41085,-0.964456,-0.317305,0.0176176],[4.0858,1.5261,-0.111508,-0.0343142],[0.14583,0.458611,0.076567,-0.0188457],[-0.225741,-0.00430964,0.0544015,0.00547319],[-0.0877721,-0.0690128,0.00400852,0.00645605],[0.00653704,-0.0178277,-0.0150424,-0.00151878]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -92.87
S298 (cal/mol*K) = -56.23
G298 (kcal/mol) = -76.12

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(65); C2H3(100), C7H10(65); C5H7(210)+C2H3(100)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.411e+00 -9.645e-01 -3.173e-01 1.762e-02 / CHEB/ 4.086e+00 1.526e+00 -1.115e-01 -3.431e-02 / CHEB/ 1.458e-01 4.586e-01 7.657e-02 -1.885e-02 / CHEB/ -2.257e-01 -4.310e-03 5.440e-02 5.473e-03 / CHEB/ -8.777e-02 -6.901e-02 4.009e-03 6.456e-03 / CHEB/ 6.537e-03 -1.783e-02 -1.504e-02 -1.519e-03 /

2342.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+2.9	+4.0	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+2.2	+3.6	+4.0

Chebyshev(coeffs=[[5.11232,-1.53613,-0.117351,0.0133801],[5.07719,0.700966,-0.133881,-0.00402519],[0.246439,0.322297,0.00119845,-0.0275938],[-0.205468,0.0747495,0.0509426,-0.017867],[-0.129361,0.000430655,0.0317317,0.000241532],[-0.0350271,0.00652597,0.0041029,0.00555637]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.20
S298 (cal/mol*K) = -1.01
G298 (kcal/mol) = 8.50

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C4H5(99); C2H3(100), C3H5(98); C5H7(210)+C2H3(100)(+M)=>C3H5(98)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.112e+00 -1.536e+00 -1.174e-01 1.338e-02 / CHEB/ 5.077e+00 7.010e-01 -1.339e-01 -4.025e-03 / CHEB/ 2.464e-01 3.223e-01 1.198e-03 -2.759e-02 / CHEB/ -2.055e-01 7.475e-02 5.094e-02 -1.787e-02 / CHEB/ -1.294e-01 4.307e-04 3.173e-02 2.415e-04 / CHEB/ -3.503e-02 6.526e-03 4.103e-03 5.556e-03 /

2343.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+3.1	+4.3	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+2.2	+3.7	+4.3

Chebyshev(coeffs=[[6.2482,-1.63943,-0.118437,0.0100133],[3.84806,0.610283,-0.161554,-0.00124865],[0.606977,0.330131,-0.0291459,-0.0257332],[-0.109732,0.10235,0.0411504,-0.0228234],[-0.0999439,0.0120594,0.0386418,-0.00548936],[-0.025073,0.00679858,0.0119739,0.00460977]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.95
S298 (cal/mol*K) = -16.43
G298 (kcal/mol) = -1.06

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(60); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.248e+00 -1.639e+00 -1.184e-01 1.001e-02 / CHEB/ 3.848e+00 6.103e-01 -1.616e-01 -1.249e-03 / CHEB/ 6.070e-01 3.301e-01 -2.915e-02 -2.573e-02 / CHEB/ -1.097e-01 1.023e-01 4.115e-02 -2.282e-02 / CHEB/ -9.994e-02 1.206e-02 3.864e-02 -5.489e-03 / CHEB/ -2.507e-02 6.799e-03 1.197e-02 4.610e-03 /

2344.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-2.7	-0.3	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-3.3	-0.6	+0.5

Chebyshev(coeffs=[[-4.24245,-1.34423,-0.161682,0.0215821],[10.8847,0.797529,-0.0860855,-0.034696],[0.16597,0.268727,0.0549387,-0.0328092],[-0.139522,0.0203721,0.0564989,-0.000914002],[-0.0923926,-0.0179551,0.0157896,0.0107906],[-0.0214704,0.00462507,-0.00427656,0.00403649]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.25
S298 (cal/mol*K) = -9.08
G298 (kcal/mol) = 32.95

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(101); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(101)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.242e+00 -1.344e+00 -1.617e-01 2.158e-02 / CHEB/ 1.088e+01 7.975e-01 -8.609e-02 -3.470e-02 / CHEB/ 1.660e-01 2.687e-01 5.494e-02 -3.281e-02 / CHEB/ -1.395e-01 2.037e-02 5.650e-02 -9.140e-04 / CHEB/ -9.239e-02 -1.796e-02 1.579e-02 1.079e-02 / CHEB/ -2.147e-02 4.625e-03 -4.277e-03 4.036e-03 /

2345.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-2.7	-0.3	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-3.3	-0.6	+0.5

H298 (kcal/mol) = 30.25
S298 (cal/mol*K) = -9.08
G298 (kcal/mol) = 32.95

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(102); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(102)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.242e+00 -1.344e+00 -1.617e-01 2.158e-02 / CHEB/ 1.088e+01 7.975e-01 -8.609e-02 -3.470e-02 / CHEB/ 1.660e-01 2.687e-01 5.494e-02 -3.281e-02 / CHEB/ -1.395e-01 2.037e-02 5.650e-02 -9.140e-04 / CHEB/ -9.239e-02 -1.796e-02 1.579e-02 1.079e-02 / CHEB/ -2.147e-02 4.625e-03 -4.277e-03 4.036e-03 /

2346.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-0.4	+2.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-0.9	+1.9	+3.0

Chebyshev(coeffs=[[-3.09961,-1.2276,-0.187855,0.0246706],[12.5704,0.807066,-0.0424451,-0.0522385],[-0.0968885,0.226313,0.0736065,-0.0254878],[-0.185269,-0.00471875,0.0482366,0.00887215],[-0.0957346,-0.0234228,0.00610152,0.0113108],[-0.0212634,0.00530385,-0.00609149,0.00122491]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.40
S298 (cal/mol*K) = 6.93
G298 (kcal/mol) = 36.34

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C5H7(103); C2H3(100), C2H3(100); C5H7(210)+C2H3(100)(+M)=>C5H7(103)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.100e+00 -1.228e+00 -1.879e-01 2.467e-02 / CHEB/ 1.257e+01 8.071e-01 -4.245e-02 -5.224e-02 / CHEB/ -9.689e-02 2.263e-01 7.361e-02 -2.549e-02 / CHEB/ -1.853e-01 -4.719e-03 4.824e-02 8.872e-03 / CHEB/ -9.573e-02 -2.342e-02 6.102e-03 1.131e-02 / CHEB/ -2.126e-02 5.304e-03 -6.091e-03 1.225e-03 /

2347.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-0.0	+2.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-0.7	+1.7	+2.6

Chebyshev(coeffs=[[-0.204308,-1.43271,-0.140603,0.0175709],[8.84902,0.768785,-0.113626,-0.0196984],[0.287209,0.297861,0.0334218,-0.0334703],[-0.136562,0.0430918,0.0581807,-0.00957014],[-0.100499,-0.0112048,0.023702,0.00754631],[-0.0252804,0.00514319,-0.00145497,0.00571959]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.05
S298 (cal/mol*K) = -10.18
G298 (kcal/mol) = 24.08

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(104); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(104)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.043e-01 -1.433e+00 -1.406e-01 1.757e-02 / CHEB/ 8.849e+00 7.688e-01 -1.136e-01 -1.970e-02 / CHEB/ 2.872e-01 2.979e-01 3.342e-02 -3.347e-02 / CHEB/ -1.366e-01 4.309e-02 5.818e-02 -9.570e-03 / CHEB/ -1.005e-01 -1.120e-02 2.370e-02 7.546e-03 / CHEB/ -2.528e-02 5.143e-03 -1.455e-03 5.720e-03 /

2348.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-0.0	+2.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-0.7	+1.7	+2.6

H298 (kcal/mol) = 21.05
S298 (cal/mol*K) = -10.18
G298 (kcal/mol) = 24.08

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(105); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(105)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.043e-01 -1.433e+00 -1.406e-01 1.757e-02 / CHEB/ 8.849e+00 7.688e-01 -1.136e-01 -1.970e-02 / CHEB/ 2.872e-01 2.979e-01 3.342e-02 -3.347e-02 / CHEB/ -1.366e-01 4.309e-02 5.818e-02 -9.570e-03 / CHEB/ -1.005e-01 -1.120e-02 2.370e-02 7.546e-03 / CHEB/ -2.528e-02 5.143e-03 -1.455e-03 5.720e-03 /

2349.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-2.1	+0.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-2.7	+0.2	+1.4

Chebyshev(coeffs=[[-4.02888,-1.32023,-0.167295,0.022487],[11.5053,0.801839,-0.0775917,-0.0386442],[0.16279,0.260253,0.0596615,-0.031815],[-0.133155,0.0147702,0.0552423,0.00133495],[-0.0877635,-0.0194059,0.0136947,0.0112057],[-0.0195183,0.0046376,-0.00481101,0.0034668]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.45
S298 (cal/mol*K) = -9.50
G298 (kcal/mol) = 35.28

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(106); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(106)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.029e+00 -1.320e+00 -1.673e-01 2.249e-02 / CHEB/ 1.151e+01 8.018e-01 -7.759e-02 -3.864e-02 / CHEB/ 1.628e-01 2.603e-01 5.966e-02 -3.181e-02 / CHEB/ -1.332e-01 1.477e-02 5.524e-02 1.335e-03 / CHEB/ -8.776e-02 -1.941e-02 1.369e-02 1.121e-02 / CHEB/ -1.952e-02 4.638e-03 -4.811e-03 3.467e-03 /

2350.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-2.1	+0.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-2.7	+0.2	+1.4

H298 (kcal/mol) = 32.45
S298 (cal/mol*K) = -9.50
G298 (kcal/mol) = 35.28

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(107); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(107)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.029e+00 -1.320e+00 -1.673e-01 2.249e-02 / CHEB/ 1.151e+01 8.018e-01 -7.759e-02 -3.864e-02 / CHEB/ 1.628e-01 2.603e-01 5.966e-02 -3.181e-02 / CHEB/ -1.332e-01 1.477e-02 5.524e-02 1.335e-03 / CHEB/ -8.776e-02 -1.941e-02 1.369e-02 1.121e-02 / CHEB/ -1.952e-02 4.638e-03 -4.811e-03 3.467e-03 /

2351.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+4.6	+4.9	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+3.6	+4.2	+4.3

Chebyshev(coeffs=[[9.22446,-1.70164,-0.088987,0.012988],[1.43754,0.496253,-0.130984,0.0112071],[0.145169,0.292102,-0.0447515,-0.010479],[-0.157529,0.11879,0.0135968,-0.0175424],[-0.105756,0.0341234,0.025287,-0.0104248],[-0.024698,0.0150033,0.0122825,-0.0013827]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.86
S298 (cal/mol*K) = -36.03
G298 (kcal/mol) = -25.12

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(108); C2H3(100), C7H10(108); C5H7(210)+C2H3(100)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.224e+00 -1.702e+00 -8.899e-02 1.299e-02 / CHEB/ 1.438e+00 4.963e-01 -1.310e-01 1.121e-02 / CHEB/ 1.452e-01 2.921e-01 -4.475e-02 -1.048e-02 / CHEB/ -1.575e-01 1.188e-01 1.360e-02 -1.754e-02 / CHEB/ -1.058e-01 3.412e-02 2.529e-02 -1.042e-02 / CHEB/ -2.470e-02 1.500e-02 1.228e-02 -1.383e-03 /

2352.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+2.2	+3.5	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+1.4	+3.1	+3.7

Chebyshev(coeffs=[[4.19921,-1.54842,-0.114855,0.0130692],[5.45488,0.689778,-0.135127,-0.0024667],[0.42899,0.323786,-0.00287607,-0.0264671],[-0.159237,0.0788616,0.0491699,-0.0184961],[-0.113948,0.00226432,0.0323568,-0.000797027],[-0.0294482,0.00675711,0.00493714,0.00528586]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.95
S298 (cal/mol*K) = -27.46
G298 (kcal/mol) = 9.13

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(87); C2H3(100), C7H10(87); C5H7(210)+C2H3(100)(+M)=>C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.199e+00 -1.548e+00 -1.149e-01 1.307e-02 / CHEB/ 5.455e+00 6.898e-01 -1.351e-01 -2.467e-03 / CHEB/ 4.290e-01 3.238e-01 -2.876e-03 -2.647e-02 / CHEB/ -1.592e-01 7.886e-02 4.917e-02 -1.850e-02 / CHEB/ -1.139e-01 2.264e-03 3.236e-02 -7.970e-04 / CHEB/ -2.945e-02 6.757e-03 4.937e-03 5.286e-03 /

2353.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+2.5	+3.8	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+1.8	+3.3	+3.9

Chebyshev(coeffs=[[4.64003,-1.54756,-0.115031,0.0130893],[5.27806,0.690586,-0.135051,-0.00257462],[0.382958,0.323688,-0.0025903,-0.0265493],[-0.172283,0.0785638,0.0493003,-0.0184551],[-0.118287,0.00212613,0.0323149,-0.000723246],[-0.0309875,0.00673666,0.00487619,0.00530694]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.77
S298 (cal/mol*K) = -25.54
G298 (kcal/mol) = 8.38

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(109); C2H3(100), C7H10(109); C5H7(210)+C2H3(100)(+M)=>C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.640e+00 -1.548e+00 -1.150e-01 1.309e-02 / CHEB/ 5.278e+00 6.906e-01 -1.351e-01 -2.575e-03 / CHEB/ 3.830e-01 3.237e-01 -2.590e-03 -2.655e-02 / CHEB/ -1.723e-01 7.856e-02 4.930e-02 -1.846e-02 / CHEB/ -1.183e-01 2.126e-03 3.231e-02 -7.232e-04 / CHEB/ -3.099e-02 6.737e-03 4.876e-03 5.307e-03 /

2354.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.7	-0.3	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-3.3	-0.6	+0.6

Chebyshev(coeffs=[[-2.40712,-1.41964,-0.127738,0.0129129],[8.50433,0.821123,-0.107847,-0.0204906],[0.634142,0.339129,0.0359545,-0.034273],[0.015973,0.0541033,0.0628889,-0.0102302],[-0.0630572,-0.0219521,0.026739,0.00905096],[-0.0180228,-0.0108423,-0.00196608,0.00810544]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = -31.42
G298 (kcal/mol) = 6.05

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(95); C2H3(100), C7H10(95); C5H7(210)+C2H3(100)(+M)=>C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.407e+00 -1.420e+00 -1.277e-01 1.291e-02 / CHEB/ 8.504e+00 8.211e-01 -1.078e-01 -2.049e-02 / CHEB/ 6.341e-01 3.391e-01 3.595e-02 -3.427e-02 / CHEB/ 1.597e-02 5.410e-02 6.289e-02 -1.023e-02 / CHEB/ -6.306e-02 -2.195e-02 2.674e-02 9.051e-03 / CHEB/ -1.802e-02 -1.084e-02 -1.966e-03 8.105e-03 /

2355.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-3.2	-1.7	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-3.9	-2.2	-1.5

Chebyshev(coeffs=[[-1.51353,-1.52806,-0.119028,0.0136138],[5.99166,0.707929,-0.132913,-0.00509055],[0.382952,0.321101,0.00387448,-0.0282931],[-0.160211,0.0720779,0.0519925,-0.0173992],[-0.114321,-0.000706088,0.0312626,0.000914918],[-0.0298191,0.00638694,0.00357166,0.00570126]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.42
S298 (cal/mol*K) = -31.65
G298 (kcal/mol) = -2.99

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(110); C2H3(100), C7H10(110); C5H7(210)+C2H3(100)(+M)=>C7H10(110)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.514e+00 -1.528e+00 -1.190e-01 1.361e-02 / CHEB/ 5.992e+00 7.079e-01 -1.329e-01 -5.091e-03 / CHEB/ 3.830e-01 3.211e-01 3.874e-03 -2.829e-02 / CHEB/ -1.602e-01 7.208e-02 5.199e-02 -1.740e-02 / CHEB/ -1.143e-01 -7.061e-04 3.126e-02 9.149e-04 / CHEB/ -2.982e-02 6.387e-03 3.572e-03 5.701e-03 /

2356.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-0.3	+1.6	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-1.0	+1.1	+2.1

Chebyshev(coeffs=[[0.244612,-1.46882,-0.130797,0.015382],[7.76287,0.754018,-0.122646,-0.0135242],[0.339072,0.311118,0.0226694,-0.0320933],[-0.117306,0.0535018,0.0576027,-0.0129962],[-0.0688861,-0.00893973,0.027404,0.00541403],[-0.0327939,0.00518474,0.000207529,0.0061485]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.95
S298 (cal/mol*K) = -27.46
G298 (kcal/mol) = 9.13

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(85); C2H3(100), C7H10(85); C5H7(210)+C2H3(100)(+M)=>C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.446e-01 -1.469e+00 -1.308e-01 1.538e-02 / CHEB/ 7.763e+00 7.540e-01 -1.226e-01 -1.352e-02 / CHEB/ 3.391e-01 3.111e-01 2.267e-02 -3.209e-02 / CHEB/ -1.173e-01 5.350e-02 5.760e-02 -1.300e-02 / CHEB/ -6.889e-02 -8.940e-03 2.740e-02 5.414e-03 / CHEB/ -3.279e-02 5.185e-03 2.075e-04 6.149e-03 /

2357.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+1.3	+2.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+0.4	+2.0	+2.6

Chebyshev(coeffs=[[3.63821,-1.61668,-0.135835,-0.000867578],[4.93091,0.684105,-0.118423,0.0100845],[0.463761,0.311743,-0.0209136,-0.0277765],[-0.141809,0.0876854,0.0420266,-0.0201221],[-0.110313,0.0105533,0.0347693,-0.00210165],[-0.0295285,0.00909838,0.0085634,0.00534427]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.97
S298 (cal/mol*K) = -25.96
G298 (kcal/mol) = 10.71

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(111); C2H3(100), C7H10(111); C5H7(210)+C2H3(100)(+M)=>C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.638e+00 -1.617e+00 -1.358e-01 -8.676e-04 / CHEB/ 4.931e+00 6.841e-01 -1.184e-01 1.008e-02 / CHEB/ 4.638e-01 3.117e-01 -2.091e-02 -2.778e-02 / CHEB/ -1.418e-01 8.769e-02 4.203e-02 -2.012e-02 / CHEB/ -1.103e-01 1.055e-02 3.477e-02 -2.102e-03 / CHEB/ -2.953e-02 9.098e-03 8.563e-03 5.344e-03 /

2358.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+2.0	+3.5	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+0.9	+2.9	+3.5

Chebyshev(coeffs=[[3.68923,-2.49512,-0.276197,0.0569972],[5.63362,1.34148,-0.203294,-0.110489],[0.708067,0.476645,0.0937107,-0.0271675],[-0.169777,0.0524017,0.0923325,0.0111656],[-0.137888,-0.041454,0.0235809,0.0081955],[-0.0381674,-0.00047747,-0.00443103,0.0017467]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.96
S298 (cal/mol*K) = -29.71
G298 (kcal/mol) = 2.89

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(112); C2H3(100), C7H10(112); C5H7(210)+C2H3(100)(+M)=>C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.689e+00 -2.495e+00 -2.762e-01 5.700e-02 / CHEB/ 5.634e+00 1.341e+00 -2.033e-01 -1.105e-01 / CHEB/ 7.081e-01 4.766e-01 9.371e-02 -2.717e-02 / CHEB/ -1.698e-01 5.240e-02 9.233e-02 1.117e-02 / CHEB/ -1.379e-01 -4.145e-02 2.358e-02 8.196e-03 / CHEB/ -3.817e-02 -4.775e-04 -4.431e-03 1.747e-03 /

2359.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+0.9	+1.6	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+0.0	+0.9	+1.2

Chebyshev(coeffs=[[4.78776,-1.64768,-0.097311,0.0126445],[2.59349,0.57338,-0.135612,0.00759641],[0.345984,0.314633,-0.03272,-0.0158186],[-0.166728,0.109249,0.0279774,-0.0194106],[-0.117104,0.0217118,0.031296,-0.00821846],[-0.0293305,0.0105955,0.0112253,0.00125516]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.55
S298 (cal/mol*K) = -34.69
G298 (kcal/mol) = -4.21

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(113); C2H3(100), C7H10(113); C5H7(210)+C2H3(100)(+M)=>C7H10(113)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.788e+00 -1.648e+00 -9.731e-02 1.264e-02 / CHEB/ 2.593e+00 5.734e-01 -1.356e-01 7.596e-03 / CHEB/ 3.460e-01 3.146e-01 -3.272e-02 -1.582e-02 / CHEB/ -1.667e-01 1.092e-01 2.798e-02 -1.941e-02 / CHEB/ -1.171e-01 2.171e-02 3.130e-02 -8.218e-03 / CHEB/ -2.933e-02 1.060e-02 1.123e-02 1.255e-03 /

2360.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+1.8	+2.8	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+1.0	+2.2	+2.7

Chebyshev(coeffs=[[5.32313,-1.61418,-0.099657,0.0114965],[3.23556,0.623731,-0.134925,0.00437047],[0.51216,0.334218,-0.0249683,-0.0188701],[-0.128887,0.108716,0.035787,-0.0200136],[-0.107091,0.0164905,0.0344103,-0.00673066],[-0.0266783,0.00760069,0.0107679,0.00268342]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.82
S298 (cal/mol*K) = -30.90
G298 (kcal/mol) = -7.61

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(114); C2H3(100), C7H10(114); C5H7(210)+C2H3(100)(+M)=>C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.323e+00 -1.614e+00 -9.966e-02 1.150e-02 / CHEB/ 3.236e+00 6.237e-01 -1.349e-01 4.370e-03 / CHEB/ 5.122e-01 3.342e-01 -2.497e-02 -1.887e-02 / CHEB/ -1.289e-01 1.087e-01 3.579e-02 -2.001e-02 / CHEB/ -1.071e-01 1.649e-02 3.441e-02 -6.731e-03 / CHEB/ -2.668e-02 7.601e-03 1.077e-02 2.683e-03 /

2361.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	-0.3	+0.8	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-5.0	-1.1	+0.3	+0.8

Chebyshev(coeffs=[[2.78963,-1.5888,-0.103019,0.0119528],[3.91066,0.655343,-0.1332,0.00258615],[0.508881,0.339657,-0.0153575,-0.0214942],[-0.13829,0.105332,0.0430864,-0.0199679],[-0.102912,0.0165751,0.0359435,-0.00485835],[-0.00999912,0.010956,0.009987,0.00378086]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.51
S298 (cal/mol*K) = -32.52
G298 (kcal/mol) = -2.82

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(96); C2H3(100), C7H10(96); C5H7(210)+C2H3(100)(+M)=>C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.790e+00 -1.589e+00 -1.030e-01 1.195e-02 / CHEB/ 3.911e+00 6.553e-01 -1.332e-01 2.586e-03 / CHEB/ 5.089e-01 3.397e-01 -1.536e-02 -2.149e-02 / CHEB/ -1.383e-01 1.053e-01 4.309e-02 -1.997e-02 / CHEB/ -1.029e-01 1.658e-02 3.594e-02 -4.858e-03 / CHEB/ -9.999e-03 1.096e-02 9.987e-03 3.781e-03 /

2362.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+2.4	+3.1	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+1.2	+2.3	+2.3

Chebyshev(coeffs=[[4.95516,-2.67919,-0.159967,0.0824823],[3.94131,1.26309,-0.26324,-0.0967486],[0.358532,0.560894,0.0987344,-0.0173138],[-0.35635,0.0712439,0.091936,0.0181852],[-0.236598,-0.0512498,0.0180638,0.00435755],[-0.0648391,-0.0172533,-0.0166679,-0.00629861]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.22
S298 (cal/mol*K) = -32.07
G298 (kcal/mol) = -0.66

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(115); C2H3(100), C7H10(115); C5H7(210)+C2H3(100)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.955e+00 -2.679e+00 -1.600e-01 8.248e-02 / CHEB/ 3.941e+00 1.263e+00 -2.632e-01 -9.675e-02 / CHEB/ 3.585e-01 5.609e-01 9.873e-02 -1.731e-02 / CHEB/ -3.563e-01 7.124e-02 9.194e-02 1.819e-02 / CHEB/ -2.366e-01 -5.125e-02 1.806e-02 4.358e-03 / CHEB/ -6.484e-02 -1.725e-02 -1.667e-02 -6.299e-03 /

2363.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+0.7	+1.6	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-3.7	-0.2	+1.0	+1.4

Chebyshev(coeffs=[[4.01875,-1.61779,-0.103167,0.0119229],[3.422,0.612788,-0.138846,0.00398967],[0.442179,0.321871,-0.0260231,-0.0199582],[-0.160188,0.101273,0.0345838,-0.0204939],[-0.112409,0.0150621,0.0325884,-0.00671369],[-0.0269151,0.00890998,0.00956942,0.00255193]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.16
S298 (cal/mol*K) = -30.81
G298 (kcal/mol) = -5.98

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(116); C2H3(100), C7H10(116); C5H7(210)+C2H3(100)(+M)=>C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.019e+00 -1.618e+00 -1.032e-01 1.192e-02 / CHEB/ 3.422e+00 6.128e-01 -1.388e-01 3.990e-03 / CHEB/ 4.422e-01 3.219e-01 -2.602e-02 -1.996e-02 / CHEB/ -1.602e-01 1.013e-01 3.458e-02 -2.049e-02 / CHEB/ -1.124e-01 1.506e-02 3.259e-02 -6.714e-03 / CHEB/ -2.692e-02 8.910e-03 9.569e-03 2.552e-03 /

2364.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+4.6	+5.2	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+3.5	+4.4	+4.7

Chebyshev(coeffs=[[9.24068,-1.84908,-0.0815576,0.0216652],[1.56789,0.448114,-0.177589,0.0224684],[0.326398,0.371696,-0.0570757,-0.0248333],[-0.0554669,0.19669,0.0345831,-0.028054],[-0.0719215,0.0644119,0.0454932,-0.00845101],[-0.0351914,0.00653142,0.0181076,0.00405735]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.75
S298 (cal/mol*K) = -40.66
G298 (kcal/mol) = -38.63

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(63); C2H3(100), C7H10(63); C5H7(210)+C2H3(100)(+M)=>C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.241e+00 -1.849e+00 -8.156e-02 2.167e-02 / CHEB/ 1.568e+00 4.481e-01 -1.776e-01 2.247e-02 / CHEB/ 3.264e-01 3.717e-01 -5.708e-02 -2.483e-02 / CHEB/ -5.547e-02 1.967e-01 3.458e-02 -2.805e-02 / CHEB/ -7.192e-02 6.441e-02 4.549e-02 -8.451e-03 / CHEB/ -3.519e-02 6.531e-03 1.811e-02 4.057e-03 /

2365.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-1.6	-0.1	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-2.3	-0.5	+0.2

Chebyshev(coeffs=[[0.00970292,-1.51435,-0.118006,0.0137573],[6.15791,0.727248,-0.127581,-0.00603115],[0.388706,0.332221,0.00989051,-0.0288507],[-0.140394,0.0794872,0.0558901,-0.0169842],[-0.0980916,0.00506744,0.0331441,0.00150047],[-0.0182779,0.0104066,0.00464931,0.00588225]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.95
S298 (cal/mol*K) = -27.46
G298 (kcal/mol) = 9.13

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(86); C2H3(100), C7H10(86); C5H7(210)+C2H3(100)(+M)=>C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.703e-03 -1.514e+00 -1.180e-01 1.376e-02 / CHEB/ 6.158e+00 7.272e-01 -1.276e-01 -6.031e-03 / CHEB/ 3.887e-01 3.322e-01 9.891e-03 -2.885e-02 / CHEB/ -1.404e-01 7.949e-02 5.589e-02 -1.698e-02 / CHEB/ -9.809e-02 5.067e-03 3.314e-02 1.500e-03 / CHEB/ -1.828e-02 1.041e-02 4.649e-03 5.882e-03 /

2366.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	-0.1	+1.2	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-5.0	-0.9	+0.7	+1.5

Chebyshev(coeffs=[[2.98688,-1.56401,-0.102636,0.00849871],[4.05203,0.698213,-0.131936,-0.00299601],[0.669235,0.365027,-0.0128526,-0.0241598],[-0.0438692,0.110581,0.0461472,-0.0198401],[-0.0723892,0.00762832,0.0379592,-0.00320449],[-0.000484162,-0.00282501,0.0100955,0.0055466]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.51
S298 (cal/mol*K) = -32.52
G298 (kcal/mol) = -2.82

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(97); C2H3(100), C7H10(97); C5H7(210)+C2H3(100)(+M)=>C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.987e+00 -1.564e+00 -1.026e-01 8.499e-03 / CHEB/ 4.052e+00 6.982e-01 -1.319e-01 -2.996e-03 / CHEB/ 6.692e-01 3.650e-01 -1.285e-02 -2.416e-02 / CHEB/ -4.387e-02 1.106e-01 4.615e-02 -1.984e-02 / CHEB/ -7.239e-02 7.628e-03 3.796e-02 -3.204e-03 / CHEB/ -4.842e-04 -2.825e-03 1.010e-02 5.547e-03 /

2367.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+0.3	+1.5	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-4.7	-0.7	+0.8	+1.4

Chebyshev(coeffs=[[3.38504,-1.82032,-0.124388,0.0150119],[3.76901,0.574388,-0.251208,-0.00858645],[0.615084,0.374703,-0.0406953,-0.0529313],[-0.105179,0.138529,0.0687354,-0.0273174],[-0.106322,0.0219547,0.0590792,0.00522782],[-0.035292,0.00492644,0.0153606,0.0127797]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.02
S298 (cal/mol*K) = -35.09
G298 (kcal/mol) = -4.56

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(117); C2H3(100), C7H10(117); C5H7(210)+C2H3(100)(+M)=>C7H10(117)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.385e+00 -1.820e+00 -1.244e-01 1.501e-02 / CHEB/ 3.769e+00 5.744e-01 -2.512e-01 -8.586e-03 / CHEB/ 6.151e-01 3.747e-01 -4.070e-02 -5.293e-02 / CHEB/ -1.052e-01 1.385e-01 6.874e-02 -2.732e-02 / CHEB/ -1.063e-01 2.195e-02 5.908e-02 5.228e-03 / CHEB/ -3.529e-02 4.926e-03 1.536e-02 1.278e-02 /

2368.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+0.7	+1.6	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-3.7	-0.2	+1.0	+1.4

Chebyshev(coeffs=[[4.02212,-1.61965,-0.104129,0.0119265],[3.42781,0.609672,-0.140515,0.00394955],[0.445938,0.319922,-0.0270137,-0.0200616],[-0.158467,0.100288,0.0343111,-0.0205645],[-0.112073,0.0146312,0.0327447,-0.00668704],[-0.0272359,0.00874537,0.00983268,0.00264409]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.16
S298 (cal/mol*K) = -30.81
G298 (kcal/mol) = -5.98

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(118); C2H3(100), C7H10(118); C5H7(210)+C2H3(100)(+M)=>C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.022e+00 -1.620e+00 -1.041e-01 1.193e-02 / CHEB/ 3.428e+00 6.097e-01 -1.405e-01 3.950e-03 / CHEB/ 4.459e-01 3.199e-01 -2.701e-02 -2.006e-02 / CHEB/ -1.585e-01 1.003e-01 3.431e-02 -2.056e-02 / CHEB/ -1.121e-01 1.463e-02 3.274e-02 -6.687e-03 / CHEB/ -2.724e-02 8.745e-03 9.833e-03 2.644e-03 /

2369.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-1.0	+0.8	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-1.8	+0.4	+1.3

Chebyshev(coeffs=[[0.565994,-1.53554,-0.132468,0.00588535],[6.31141,0.703236,-0.154772,-0.0175173],[0.650673,0.326238,-0.00255797,-0.0344545],[-0.0376024,0.0743286,0.0583501,-0.0164031],[-0.0883872,-0.00885263,0.0389006,0.00585467],[-0.0493895,-0.00916452,0.00431368,0.00954964]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.15
S298 (cal/mol*K) = -27.88
G298 (kcal/mol) = 11.46

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(88); C2H3(100), C7H10(88); C5H7(210)+C2H3(100)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.660e-01 -1.536e+00 -1.325e-01 5.885e-03 / CHEB/ 6.311e+00 7.032e-01 -1.548e-01 -1.752e-02 / CHEB/ 6.507e-01 3.262e-01 -2.558e-03 -3.445e-02 / CHEB/ -3.760e-02 7.433e-02 5.835e-02 -1.640e-02 / CHEB/ -8.839e-02 -8.853e-03 3.890e-02 5.855e-03 / CHEB/ -4.939e-02 -9.165e-03 4.314e-03 9.550e-03 /

2370.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+0.2	+1.7	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-0.6	+1.1	+1.8

Chebyshev(coeffs=[[2.49728,-1.69803,-0.147036,0.00298137],[5.1053,0.774568,-0.104082,-0.00314399],[0.636099,0.350642,-9.75112e-05,-0.0124629],[-0.142619,0.0834593,0.0367738,-0.0184442],[-0.115053,0.00421102,0.0322193,-0.00565259],[-0.0326774,0.00703994,0.00927936,0.00360035]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.11
S298 (cal/mol*K) = -31.84
G298 (kcal/mol) = 8.38

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(37); C2H3(100), C7H10(37); C5H7(210)+C2H3(100)(+M)=>C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.497e+00 -1.698e+00 -1.470e-01 2.981e-03 / CHEB/ 5.105e+00 7.746e-01 -1.041e-01 -3.144e-03 / CHEB/ 6.361e-01 3.506e-01 -9.751e-05 -1.246e-02 / CHEB/ -1.426e-01 8.346e-02 3.677e-02 -1.844e-02 / CHEB/ -1.151e-01 4.211e-03 3.222e-02 -5.653e-03 / CHEB/ -3.268e-02 7.040e-03 9.279e-03 3.600e-03 /

2371.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	-0.2	+0.7	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-4.5	-1.1	+0.1	+0.5

Chebyshev(coeffs=[[3.26634,-1.62322,-0.102145,0.0120673],[3.2491,0.605786,-0.138415,0.00470738],[0.424289,0.320713,-0.027323,-0.0191754],[-0.162768,0.102691,0.0334524,-0.0203134],[-0.11405,0.0161373,0.0324632,-0.00699225],[-0.0277069,0.00913003,0.00991477,0.00234437]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.82
S298 (cal/mol*K) = -35.51
G298 (kcal/mol) = -2.24

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(119); C2H3(100), C7H10(119); C5H7(210)+C2H3(100)(+M)=>C7H10(119)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.266e+00 -1.623e+00 -1.021e-01 1.207e-02 / CHEB/ 3.249e+00 6.058e-01 -1.384e-01 4.707e-03 / CHEB/ 4.243e-01 3.207e-01 -2.732e-02 -1.918e-02 / CHEB/ -1.628e-01 1.027e-01 3.345e-02 -2.031e-02 / CHEB/ -1.141e-01 1.614e-02 3.246e-02 -6.992e-03 / CHEB/ -2.771e-02 9.130e-03 9.915e-03 2.344e-03 /

2372.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-0.4	+0.8	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-1.2	+0.3	+0.8

Chebyshev(coeffs=[[2.13058,-1.58127,-0.113714,0.0118248],[4.64887,0.653896,-0.14401,-0.00106588],[0.471709,0.320967,-0.0157767,-0.0255427],[-0.153778,0.0862574,0.0434499,-0.0205921],[-0.10979,0.00630066,0.0337263,-0.00334508],[-0.0277659,0.00739305,0.00762438,0.00465797]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.76
S298 (cal/mol*K) = -30.13
G298 (kcal/mol) = 5.22

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(120); C2H3(100), C7H10(120); C5H7(210)+C2H3(100)(+M)=>C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.131e+00 -1.581e+00 -1.137e-01 1.182e-02 / CHEB/ 4.649e+00 6.539e-01 -1.440e-01 -1.066e-03 / CHEB/ 4.717e-01 3.210e-01 -1.578e-02 -2.554e-02 / CHEB/ -1.538e-01 8.626e-02 4.345e-02 -2.059e-02 / CHEB/ -1.098e-01 6.301e-03 3.373e-02 -3.345e-03 / CHEB/ -2.777e-02 7.393e-03 7.624e-03 4.658e-03 /

2373.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.2	+5.3	+5.5	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+4.8	+5.4	+5.6

Chebyshev(coeffs=[[10.1386,-1.01922,-0.30296,0.0438008],[0.952042,1.06728,-0.173466,-0.0405554],[0.0961979,0.411814,0.0100831,-0.0259951],[-0.0763468,0.110886,0.0435165,-0.00352607],[-0.044587,0.0366574,0.0259656,0.000509794],[-0.0140038,0.0357472,0.00818912,-0.00144897]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -85.95
S298 (cal/mol*K) = -43.11
G298 (kcal/mol) = -73.11

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(79); C2H3(100), C7H10(79); C5H7(210)+C2H3(100)(+M)=>C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.014e+01 -1.019e+00 -3.030e-01 4.380e-02 / CHEB/ 9.520e-01 1.067e+00 -1.735e-01 -4.056e-02 / CHEB/ 9.620e-02 4.118e-01 1.008e-02 -2.600e-02 / CHEB/ -7.635e-02 1.109e-01 4.352e-02 -3.526e-03 / CHEB/ -4.459e-02 3.666e-02 2.597e-02 5.098e-04 / CHEB/ -1.400e-02 3.575e-02 8.189e-03 -1.449e-03 /

2374.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+0.8	+1.2	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-2.3	-0.1	+0.6	+0.7

Chebyshev(coeffs=[[5.19615,-1.67991,-0.0916562,0.0129229],[1.82827,0.528614,-0.132238,0.0101226],[0.224393,0.303899,-0.0400676,-0.0122269],[-0.176474,0.117177,0.0194193,-0.018216],[-0.129165,0.0298143,0.0282135,-0.00966348],[-0.0147071,0.0128168,0.0124333,-0.000356419]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -88.08
S298 (cal/mol*K) = -56.85
G298 (kcal/mol) = -71.14

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(121); C2H3(100), C7H10(121); C5H7(210)+C2H3(100)(+M)=>C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.196e+00 -1.680e+00 -9.166e-02 1.292e-02 / CHEB/ 1.828e+00 5.286e-01 -1.322e-01 1.012e-02 / CHEB/ 2.244e-01 3.039e-01 -4.007e-02 -1.223e-02 / CHEB/ -1.765e-01 1.172e-01 1.942e-02 -1.822e-02 / CHEB/ -1.292e-01 2.981e-02 2.821e-02 -9.663e-03 / CHEB/ -1.471e-02 1.282e-02 1.243e-02 -3.564e-04 /

2375.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+2.8	+4.0	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+3.0	+4.5	+5.1

Chebyshev(coeffs=[[5.38915,0.327676,-0.137952,-0.00236206],[4.65151,0.677513,-0.0997618,0.0206282],[0.490521,0.299384,-0.0303565,-0.0206544],[-0.194792,0.1037,0.0379351,-0.0197183],[-0.0929227,0.0114626,0.0306601,-0.00659126],[-0.000359398,0.0083017,0.00797261,0.00229626]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.21
S298 (cal/mol*K) = -14.13
G298 (kcal/mol) = 3.99

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(122); C2H3(100), C7H10(122); C5H7(210)+C2H3(100)(+M)=>C7H10(122)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.389e+00 3.277e-01 -1.380e-01 -2.362e-03 / CHEB/ 4.652e+00 6.775e-01 -9.976e-02 2.063e-02 / CHEB/ 4.905e-01 2.994e-01 -3.036e-02 -2.065e-02 / CHEB/ -1.948e-01 1.037e-01 3.794e-02 -1.972e-02 / CHEB/ -9.292e-02 1.146e-02 3.066e-02 -6.591e-03 / CHEB/ -3.594e-04 8.302e-03 7.973e-03 2.296e-03 /

2376.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+2.9	+4.1	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+2.8	+4.5	+5.1

Chebyshev(coeffs=[[4.8492,-0.634471,-0.32861,0.0293931],[5.19226,1.55166,-0.0783545,-0.0450639],[0.540681,0.415242,0.0418624,-0.0481429],[-0.249406,0.0145111,0.0615843,-0.00457445],[-0.0917277,-0.0221866,0.0354288,0.0112008],[-0.00186071,0.0104361,0.0042166,0.00484517]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.77
S298 (cal/mol*K) = -16.76
G298 (kcal/mol) = -1.78

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(123); C2H3(100), C7H10(123); C5H7(210)+C2H3(100)(+M)=>C7H10(123)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.849e+00 -6.345e-01 -3.286e-01 2.939e-02 / CHEB/ 5.192e+00 1.552e+00 -7.835e-02 -4.506e-02 / CHEB/ 5.407e-01 4.152e-01 4.186e-02 -4.814e-02 / CHEB/ -2.494e-01 1.451e-02 6.158e-02 -4.574e-03 / CHEB/ -9.173e-02 -2.219e-02 3.543e-02 1.120e-02 / CHEB/ -1.861e-03 1.044e-02 4.217e-03 4.845e-03 /

2377.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+4.3	+5.7	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+3.5	+5.2	+5.8

Chebyshev(coeffs=[[6.52568,-1.56186,-0.112219,0.0127958],[5.19392,0.676683,-0.136183,-0.000851775],[0.47742,0.324867,-0.00731347,-0.0251591],[-0.152447,0.0833702,0.0469823,-0.0190616],[-0.111405,0.0044083,0.0328906,-0.00193912],[-0.0284215,0.00703953,0.00587098,0.00492034]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.04
S298 (cal/mol*K) = -12.37
G298 (kcal/mol) = 3.64

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(124); C2H3(100), C7H10(124); C5H7(210)+C2H3(100)(+M)=>C7H10(124)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.526e+00 -1.562e+00 -1.122e-01 1.280e-02 / CHEB/ 5.194e+00 6.767e-01 -1.362e-01 -8.518e-04 / CHEB/ 4.774e-01 3.249e-01 -7.313e-03 -2.516e-02 / CHEB/ -1.524e-01 8.337e-02 4.698e-02 -1.906e-02 / CHEB/ -1.114e-01 4.408e-03 3.289e-02 -1.939e-03 / CHEB/ -2.842e-02 7.040e-03 5.871e-03 4.920e-03 /

2378.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+3.0	+4.1	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+2.2	+3.6	+4.0

Chebyshev(coeffs=[[5.54992,-1.56974,-0.110715,0.0126688],[4.55408,0.668592,-0.136647,5.31569e-05],[0.396267,0.325224,-0.00989248,-0.0243593],[-0.18001,0.0860186,0.0455821,-0.0193307],[-0.120308,0.00574438,0.0331245,-0.00260603],[-0.0314818,0.00722711,0.00642667,0.00467285]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.51
S298 (cal/mol*K) = -12.80
G298 (kcal/mol) = 1.30

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(125); C2H3(100), C7H10(125); C5H7(210)+C2H3(100)(+M)=>C7H10(125)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.550e+00 -1.570e+00 -1.107e-01 1.267e-02 / CHEB/ 4.554e+00 6.686e-01 -1.366e-01 5.316e-05 / CHEB/ 3.963e-01 3.252e-01 -9.892e-03 -2.436e-02 / CHEB/ -1.800e-01 8.602e-02 4.558e-02 -1.933e-02 / CHEB/ -1.203e-01 5.744e-03 3.312e-02 -2.606e-03 / CHEB/ -3.148e-02 7.227e-03 6.427e-03 4.673e-03 /

2379.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-0.1	+1.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-0.9	+0.8	+1.4

Chebyshev(coeffs=[[1.83718,-1.54395,-0.115757,0.0131759],[5.59448,0.693933,-0.134707,-0.00302565],[0.423827,0.32329,-0.00139406,-0.026886],[-0.158071,0.0773552,0.0498392,-0.018279],[-0.113627,0.00157853,0.0321417,-0.000417361],[-0.0293881,0.00666754,0.0046295,0.00539142]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.33
S298 (cal/mol*K) = -35.19
G298 (kcal/mol) = 9.15

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(126); C2H3(100), C7H10(126); C5H7(210)+C2H3(100)(+M)=>C7H10(126)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.837e+00 -1.544e+00 -1.158e-01 1.318e-02 / CHEB/ 5.594e+00 6.939e-01 -1.347e-01 -3.026e-03 / CHEB/ 4.238e-01 3.233e-01 -1.394e-03 -2.689e-02 / CHEB/ -1.581e-01 7.736e-02 4.984e-02 -1.828e-02 / CHEB/ -1.136e-01 1.579e-03 3.214e-02 -4.174e-04 / CHEB/ -2.939e-02 6.668e-03 4.630e-03 5.391e-03 /

2380.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+1.3	+2.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+0.5	+2.2	+2.8

Chebyshev(coeffs=[[3.22028,-1.54583,-0.115378,0.0131302],[5.57036,0.692195,-0.134889,-0.00278956],[0.433645,0.323501,-0.00201776,-0.0267112],[-0.156325,0.0779846,0.0495605,-0.0183719],[-0.11303,0.00186305,0.0322332,-0.000576738],[-0.0291575,0.00670403,0.00475779,0.00534796]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.76
S298 (cal/mol*K) = -31.61
G298 (kcal/mol) = 12.17

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(127); C2H3(100), C7H10(127); C5H7(210)+C2H3(100)(+M)=>C7H10(127)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.220e+00 -1.546e+00 -1.154e-01 1.313e-02 / CHEB/ 5.570e+00 6.922e-01 -1.349e-01 -2.790e-03 / CHEB/ 4.336e-01 3.235e-01 -2.018e-03 -2.671e-02 / CHEB/ -1.563e-01 7.798e-02 4.956e-02 -1.837e-02 / CHEB/ -1.130e-01 1.863e-03 3.223e-02 -5.767e-04 / CHEB/ -2.916e-02 6.704e-03 4.758e-03 5.348e-03 /

2381.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+2.4	+2.5	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+1.1	+1.6	+1.2

Chebyshev(coeffs=[[5.67883,-3.0625,-0.277126,0.0307109],[2.62768,1.45882,-0.116383,-0.0262815],[0.0819222,0.522867,0.0618115,-0.0104755],[-0.427803,0.0444403,0.0607418,0.00136385],[-0.264497,-0.0526415,0.0220985,0.00411305],[-0.0810425,-0.0159353,-0.00534986,0.000849503]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.13
S298 (cal/mol*K) = -34.22
G298 (kcal/mol) = -16.93

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(128); C2H3(100), C7H10(128); C5H7(210)+C2H3(100)(+M)=>C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.679e+00 -3.063e+00 -2.771e-01 3.071e-02 / CHEB/ 2.628e+00 1.459e+00 -1.164e-01 -2.628e-02 / CHEB/ 8.192e-02 5.229e-01 6.181e-02 -1.048e-02 / CHEB/ -4.278e-01 4.444e-02 6.074e-02 1.364e-03 / CHEB/ -2.645e-01 -5.264e-02 2.210e-02 4.113e-03 / CHEB/ -8.104e-02 -1.594e-02 -5.350e-03 8.495e-04 /

2382.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+0.6	+0.8	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+0.6	+1.0	+1.0

Chebyshev(coeffs=[[5.26524,0.128777,-0.130637,0.00989177],[1.30798,0.578391,-0.110949,0.00448215],[0.099306,0.300868,-0.0251137,-0.00150145],[-0.189324,0.101018,0.00884945,-0.0116681],[-0.113083,0.0284378,0.0198016,-0.00937591],[-0.0242773,0.0169105,0.010949,-0.00306845]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.14
S298 (cal/mol*K) = -43.87
G298 (kcal/mol) = -17.07

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(57); C2H3(100), C7H10(57); C5H7(210)+C2H3(100)(+M)=>C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.265e+00 1.288e-01 -1.306e-01 9.892e-03 / CHEB/ 1.308e+00 5.784e-01 -1.109e-01 4.482e-03 / CHEB/ 9.931e-02 3.009e-01 -2.511e-02 -1.501e-03 / CHEB/ -1.893e-01 1.010e-01 8.849e-03 -1.167e-02 / CHEB/ -1.131e-01 2.844e-02 1.980e-02 -9.376e-03 / CHEB/ -2.428e-02 1.691e-02 1.095e-02 -3.068e-03 /

2383.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+0.8	+1.8	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-4.6	-0.1	+1.2	+1.6

Chebyshev(coeffs=[[3.26467,-2.16312,-0.364314,-0.0488807],[4.48873,1.16315,0.0892727,0.0268954],[0.411409,0.224864,-0.0300314,0.00737154],[-0.211067,0.0257938,0.00221395,-0.0286275],[-0.13632,0.00662357,0.0281505,-0.0100231],[-0.040497,0.0171187,0.0162194,0.00689361]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.66
S298 (cal/mol*K) = -33.59
G298 (kcal/mol) = 8.35

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(58); C2H3(100), C7H10(58); C5H7(210)+C2H3(100)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.265e+00 -2.163e+00 -3.643e-01 -4.888e-02 / CHEB/ 4.489e+00 1.163e+00 8.927e-02 2.690e-02 / CHEB/ 4.114e-01 2.249e-01 -3.003e-02 7.372e-03 / CHEB/ -2.111e-01 2.579e-02 2.214e-03 -2.863e-02 / CHEB/ -1.363e-01 6.624e-03 2.815e-02 -1.002e-02 / CHEB/ -4.050e-02 1.712e-02 1.622e-02 6.894e-03 /

2384.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-3.0	-1.4	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-3.7	-1.9	-1.2

Chebyshev(coeffs=[[-1.70275,-1.6005,-0.165989,-3.58981e-05],[6.53992,0.79954,-0.0975499,-0.00109074],[0.383552,0.323795,0.0176893,-0.0219663],[-0.161989,0.0546246,0.0485268,-0.0177771],[-0.111558,-0.00508874,0.0291335,0.0013888],[-0.0270447,0.00822151,0.00369637,0.00634385]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.53
S298 (cal/mol*K) = -37.63
G298 (kcal/mol) = -14.32

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(59); C2H3(100), C7H10(59); C5H7(210)+C2H3(100)(+M)=>C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.703e+00 -1.600e+00 -1.660e-01 -3.590e-05 / CHEB/ 6.540e+00 7.995e-01 -9.755e-02 -1.091e-03 / CHEB/ 3.836e-01 3.238e-01 1.769e-02 -2.197e-02 / CHEB/ -1.620e-01 5.462e-02 4.853e-02 -1.778e-02 / CHEB/ -1.116e-01 -5.089e-03 2.913e-02 1.389e-03 / CHEB/ -2.704e-02 8.222e-03 3.696e-03 6.344e-03 /

2385.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.8	+0.1	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-3.3	-0.2	+1.2

Chebyshev(coeffs=[[-5.26418,-1.30677,-0.200658,0.00903988],[12.4579,0.863959,-0.0379392,-0.0360464],[0.216834,0.251044,0.0762165,-0.0260904],[-0.12136,-0.00675679,0.0503751,0.0054242],[-0.0768696,-0.0261843,0.00834637,0.0123431],[-0.0122164,0.00516553,-0.00579735,0.00265417]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.03
S298 (cal/mol*K) = -9.23
G298 (kcal/mol) = 33.78

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(61); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(61)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.264e+00 -1.307e+00 -2.007e-01 9.040e-03 / CHEB/ 1.246e+01 8.640e-01 -3.794e-02 -3.605e-02 / CHEB/ 2.168e-01 2.510e-01 7.622e-02 -2.609e-02 / CHEB/ -1.214e-01 -6.757e-03 5.038e-02 5.424e-03 / CHEB/ -7.687e-02 -2.618e-02 8.346e-03 1.234e-02 / CHEB/ -1.222e-02 5.166e-03 -5.797e-03 2.654e-03 /

2386.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+2.5	+3.8	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+1.7	+3.3	+3.9

Chebyshev(coeffs=[[4.84967,-1.66627,-0.156608,0.00188505],[4.94872,0.782365,-0.103575,-0.00134466],[0.490116,0.336533,0.00572324,-0.015327],[-0.163675,0.0703734,0.041782,-0.0194222],[-0.111236,0.000628721,0.0317452,-0.00331663],[-0.0205188,0.00808485,0.00716612,0.00512069]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = -1.38
G298 (kcal/mol) = 0.41

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C5H6(62); C2H3(100), C2H4(115); C5H7(210)+C2H3(100)(+M)=>C2H4(115)+C5H6(62)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.850e+00 -1.666e+00 -1.566e-01 1.885e-03 / CHEB/ 4.949e+00 7.824e-01 -1.036e-01 -1.345e-03 / CHEB/ 4.901e-01 3.365e-01 5.723e-03 -1.533e-02 / CHEB/ -1.637e-01 7.037e-02 4.178e-02 -1.942e-02 / CHEB/ -1.112e-01 6.287e-04 3.175e-02 -3.317e-03 / CHEB/ -2.052e-02 8.085e-03 7.166e-03 5.121e-03 /

2387.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	+0.1	+2.0	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-7.0	-0.6	+1.5	+2.4

Chebyshev(coeffs=[[1.83059,-2.31609,-0.207603,0.0522406],[6.01194,1.75305,-0.026776,-0.0566676],[0.961676,0.304496,0.00639851,-0.0447854],[-0.153201,-0.109653,0.0360891,0.00346355],[-0.116544,-0.0152947,0.0479404,0.0122139],[-0.0217039,0.0358981,0.00561009,-0.00164331]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.25
S298 (cal/mol*K) = -32.25
G298 (kcal/mol) = 3.36

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(64); C2H3(100), C7H10(64); C5H7(210)+C2H3(100)(+M)=>C7H10(64)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.831e+00 -2.316e+00 -2.076e-01 5.224e-02 / CHEB/ 6.012e+00 1.753e+00 -2.678e-02 -5.667e-02 / CHEB/ 9.617e-01 3.045e-01 6.399e-03 -4.479e-02 / CHEB/ -1.532e-01 -1.097e-01 3.609e-02 3.464e-03 / CHEB/ -1.165e-01 -1.529e-02 4.794e-02 1.221e-02 / CHEB/ -2.170e-02 3.590e-02 5.610e-03 -1.643e-03 /

2388.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+0.3	+1.9	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-0.4	+1.5	+2.2

Chebyshev(coeffs=[[1.74106,-1.60234,-0.163815,-0.000289015],[6.38566,0.812159,-0.0969097,-0.00182368],[0.469195,0.330044,0.0179968,-0.0212323],[-0.148391,0.0560116,0.0492895,-0.0180271],[-0.10794,-0.00601806,0.0300296,0.00122054],[-0.0261054,0.00729226,0.00391147,0.00654927]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.35
S298 (cal/mol*K) = -35.04
G298 (kcal/mol) = -16.91

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(65); C2H3(100), C7H10(65); C5H7(210)+C2H3(100)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.741e+00 -1.602e+00 -1.638e-01 -2.890e-04 / CHEB/ 6.386e+00 8.122e-01 -9.691e-02 -1.824e-03 / CHEB/ 4.692e-01 3.300e-01 1.800e-02 -2.123e-02 / CHEB/ -1.484e-01 5.601e-02 4.929e-02 -1.803e-02 / CHEB/ -1.079e-01 -6.018e-03 3.003e-02 1.221e-03 / CHEB/ -2.611e-02 7.292e-03 3.911e-03 6.549e-03 /

2389.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-1.0	+0.4	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-2.1	-0.2	+0.5

Chebyshev(coeffs=[[1.05518,-2.6391,-0.322534,0.032805],[5.14434,1.48161,-0.117324,-0.0623199],[0.744551,0.49206,0.0868874,-0.0255234],[-0.150445,0.0614115,0.0851798,0.00562096],[-0.116183,-0.0188218,0.0341978,0.00907892],[-0.0252451,0.00811524,0.00255472,0.00350705]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.45
S298 (cal/mol*K) = -33.35
G298 (kcal/mol) = -5.51

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(66); C2H3(100), C7H10(66); C5H7(210)+C2H3(100)(+M)=>C7H10(66)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.055e+00 -2.639e+00 -3.225e-01 3.281e-02 / CHEB/ 5.144e+00 1.482e+00 -1.173e-01 -6.232e-02 / CHEB/ 7.446e-01 4.921e-01 8.689e-02 -2.552e-02 / CHEB/ -1.504e-01 6.141e-02 8.518e-02 5.621e-03 / CHEB/ -1.162e-01 -1.882e-02 3.420e-02 9.079e-03 / CHEB/ -2.525e-02 8.115e-03 2.555e-03 3.507e-03 /

2390.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.0	-8.3	-3.6	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-8.5	-3.7	-1.4

Chebyshev(coeffs=[[-16.1121,-0.782427,-0.254286,-0.0113098],[20.8577,0.654809,0.132312,-0.0436885],[-0.0399303,0.0751781,0.0673668,0.0169675],[-0.0919402,-0.0518879,-0.00272865,0.0121237],[-0.0318718,-0.0160833,-0.0105411,-0.00040425],[0.00304039,0.0125102,0.000850005,-0.00254714]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.55
S298 (cal/mol*K) = -36.14
G298 (kcal/mol) = -25.78

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(67); C2H3(100), C7H10(67); C5H7(210)+C2H3(100)(+M)=>C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.611e+01 -7.824e-01 -2.543e-01 -1.131e-02 / CHEB/ 2.086e+01 6.548e-01 1.323e-01 -4.369e-02 / CHEB/ -3.993e-02 7.518e-02 6.737e-02 1.697e-02 / CHEB/ -9.194e-02 -5.189e-02 -2.729e-03 1.212e-02 / CHEB/ -3.187e-02 -1.608e-02 -1.054e-02 -4.042e-04 / CHEB/ 3.040e-03 1.251e-02 8.500e-04 -2.547e-03 /

2391.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-0.3	+1.4	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-1.0	+0.9	+1.7

Chebyshev(coeffs=[[1.08236,-1.60979,-0.162177,-0.000106301],[6.4825,0.820549,-0.102798,-0.00178823],[0.462137,0.324788,0.0201308,-0.0223625],[-0.148396,0.0563595,0.0491144,-0.0178064],[-0.104926,-0.00661639,0.0302318,0.00146203],[-0.0274691,0.00753186,0.00379435,0.00662747]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.45
S298 (cal/mol*K) = -33.35
G298 (kcal/mol) = -5.51

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(68); C2H3(100), C7H10(68); C5H7(210)+C2H3(100)(+M)=>C7H10(68)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.082e+00 -1.610e+00 -1.622e-01 -1.063e-04 / CHEB/ 6.482e+00 8.205e-01 -1.028e-01 -1.788e-03 / CHEB/ 4.621e-01 3.248e-01 2.013e-02 -2.236e-02 / CHEB/ -1.484e-01 5.636e-02 4.911e-02 -1.781e-02 / CHEB/ -1.049e-01 -6.616e-03 3.023e-02 1.462e-03 / CHEB/ -2.747e-02 7.532e-03 3.794e-03 6.627e-03 /

2392.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+2.3	+3.1	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+1.4	+2.5	+2.9

Chebyshev(coeffs=[[5.96368,-1.81284,-0.129423,0.00686509],[2.95122,0.746793,-0.134761,0.00314456],[0.424899,0.34796,-0.0092271,-0.0132315],[-0.154339,0.0912537,0.030594,-0.0177418],[-0.109142,0.0102385,0.0310956,-0.0074019],[-0.0243442,0.0103175,0.0109368,0.00134304]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.55
S298 (cal/mol*K) = -36.14
G298 (kcal/mol) = -25.78

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(69); C2H3(100), C7H10(69); C5H7(210)+C2H3(100)(+M)=>C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.964e+00 -1.813e+00 -1.294e-01 6.865e-03 / CHEB/ 2.951e+00 7.468e-01 -1.348e-01 3.145e-03 / CHEB/ 4.249e-01 3.480e-01 -9.227e-03 -1.323e-02 / CHEB/ -1.543e-01 9.125e-02 3.059e-02 -1.774e-02 / CHEB/ -1.091e-01 1.024e-02 3.110e-02 -7.402e-03 / CHEB/ -2.434e-02 1.032e-02 1.094e-02 1.343e-03 /

2393.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+1.6	+3.2	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+0.6	+2.5	+3.2

Chebyshev(coeffs=[[3.49669,-2.1583,-0.169355,0.0417422],[5.46605,1.02888,-0.263621,-0.062675],[0.687486,0.403229,0.0387972,-0.0468828],[-0.132569,0.0906672,0.0875494,-0.00926493],[-0.11763,-0.0101003,0.0442366,0.0138227],[-0.0373233,0.000714539,0.00278956,0.00980338]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.25
S298 (cal/mol*K) = -32.25
G298 (kcal/mol) = 3.36

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(70); C2H3(100), C7H10(70); C5H7(210)+C2H3(100)(+M)=>C7H10(70)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.497e+00 -2.158e+00 -1.694e-01 4.174e-02 / CHEB/ 5.466e+00 1.029e+00 -2.636e-01 -6.267e-02 / CHEB/ 6.875e-01 4.032e-01 3.880e-02 -4.688e-02 / CHEB/ -1.326e-01 9.067e-02 8.755e-02 -9.265e-03 / CHEB/ -1.176e-01 -1.010e-02 4.424e-02 1.382e-02 / CHEB/ -3.732e-02 7.145e-04 2.790e-03 9.803e-03 /

2394.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-0.3	+0.7	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-5.1	-1.4	-0.0	+0.5

Chebyshev(coeffs=[[2.9481,-2.03729,-0.122632,0.0232767],[3.48884,0.813069,-0.23069,-0.00913488],[0.53255,0.369644,-0.0112275,-0.0355572],[-0.136107,0.0964199,0.0492503,-0.0217866],[-0.106351,0.0113306,0.0399744,-0.00255851],[-0.025046,0.00990617,0.0116461,0.00502455]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.01
S298 (cal/mol*K) = -39.75
G298 (kcal/mol) = -16.17

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(71); C2H3(100), C7H10(71); C5H7(210)+C2H3(100)(+M)=>C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.948e+00 -2.037e+00 -1.226e-01 2.328e-02 / CHEB/ 3.489e+00 8.131e-01 -2.307e-01 -9.135e-03 / CHEB/ 5.326e-01 3.696e-01 -1.123e-02 -3.556e-02 / CHEB/ -1.361e-01 9.642e-02 4.925e-02 -2.179e-02 / CHEB/ -1.064e-01 1.133e-02 3.997e-02 -2.559e-03 / CHEB/ -2.505e-02 9.906e-03 1.165e-02 5.025e-03 /

2395.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.9	-5.9	-1.6	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-6.1	-1.7	+0.4

Chebyshev(coeffs=[[-13.2447,-0.793023,-0.257068,-0.0110114],[20.0649,0.64942,0.128446,-0.0447123],[-0.245721,0.0798875,0.0675436,0.01591],[-0.152473,-0.0494698,-0.00111197,0.0122798],[-0.0531883,-0.0157844,-0.00995179,-1.28795e-05],[-0.00491491,0.0126208,0.000788929,-0.00250973]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.07
S298 (cal/mol*K) = 8.07
G298 (kcal/mol) = 62.67

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C5H6(62); C2H3(100), C2H4(72); C5H7(210)+C2H3(100)(+M)=>C5H6(62)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.324e+01 -7.930e-01 -2.571e-01 -1.101e-02 / CHEB/ 2.006e+01 6.494e-01 1.284e-01 -4.471e-02 / CHEB/ -2.457e-01 7.989e-02 6.754e-02 1.591e-02 / CHEB/ -1.525e-01 -4.947e-02 -1.112e-03 1.228e-02 / CHEB/ -5.319e-02 -1.578e-02 -9.952e-03 -1.288e-05 / CHEB/ -4.915e-03 1.262e-02 7.889e-04 -2.510e-03 /

2396.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.2	-9.1	-3.2	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-9.2	-3.2	-0.3

Chebyshev(coeffs=[[-19.9329,-0.45676,-0.213858,-0.0462076],[25.7444,0.394821,0.155999,0.00899904],[-0.073503,0.0125913,0.0219853,0.0158862],[-0.0458919,-0.0347706,-0.0149501,-0.00105412],[-0.0242384,-0.00132876,-0.00297464,-0.00240506],[0.0028059,0.00982696,0.00489816,0.00108114]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.50
S298 (cal/mol*K) = 11.97
G298 (kcal/mol) = 79.94

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C4H6(74); C2H3(100), C3H4(73); C5H7(210)+C2H3(100)(+M)=>C4H6(74)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.993e+01 -4.568e-01 -2.139e-01 -4.621e-02 / CHEB/ 2.574e+01 3.948e-01 1.560e-01 8.999e-03 / CHEB/ -7.350e-02 1.259e-02 2.199e-02 1.589e-02 / CHEB/ -4.589e-02 -3.477e-02 -1.495e-02 -1.054e-03 / CHEB/ -2.424e-02 -1.329e-03 -2.975e-03 -2.405e-03 / CHEB/ 2.806e-03 9.827e-03 4.898e-03 1.081e-03 /

2397.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-1.7	-0.2	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-2.5	-0.7	+0.1

Chebyshev(coeffs=[[0.389558,-1.88102,-0.271192,-0.0369332],[5.44067,1.08063,0.0492705,0.0375825],[0.552223,0.32688,-0.000587647,-0.00931982],[-0.109044,0.0672075,0.028555,-0.0263552],[-0.0873654,0.0116747,0.0334668,-0.00548361],[-0.0167911,0.0124726,0.0116256,0.00617353]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.58
S298 (cal/mol*K) = -31.38
G298 (kcal/mol) = 12.93

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(75); C2H3(100), C7H10(75); C5H7(210)+C2H3(100)(+M)=>C7H10(75)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.896e-01 -1.881e+00 -2.712e-01 -3.693e-02 / CHEB/ 5.441e+00 1.081e+00 4.927e-02 3.758e-02 / CHEB/ 5.522e-01 3.269e-01 -5.876e-04 -9.320e-03 / CHEB/ -1.090e-01 6.721e-02 2.855e-02 -2.636e-02 / CHEB/ -8.737e-02 1.167e-02 3.347e-02 -5.484e-03 / CHEB/ -1.679e-02 1.247e-02 1.163e-02 6.174e-03 /

2398.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+0.7	+1.8	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-4.2	-0.1	+1.2	+1.7

Chebyshev(coeffs=[[3.72508,-1.69096,-0.148763,-0.00234572],[3.91345,0.710488,-0.108808,0.0104789],[0.551267,0.344114,-0.00850291,-0.0182672],[-0.183969,0.0834388,0.0391365,-0.0166333],[-0.122551,0.00326633,0.0298946,-0.00600065],[-0.022546,0.0100516,0.00877981,0.00269996]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.92
S298 (cal/mol*K) = -37.76
G298 (kcal/mol) = -8.67

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(76); C2H3(100), C7H10(76); C5H7(210)+C2H3(100)(+M)=>C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.725e+00 -1.691e+00 -1.488e-01 -2.346e-03 / CHEB/ 3.913e+00 7.105e-01 -1.088e-01 1.048e-02 / CHEB/ 5.513e-01 3.441e-01 -8.503e-03 -1.827e-02 / CHEB/ -1.840e-01 8.344e-02 3.914e-02 -1.663e-02 / CHEB/ -1.226e-01 3.266e-03 2.989e-02 -6.001e-03 / CHEB/ -2.255e-02 1.005e-02 8.780e-03 2.700e-03 /

2399.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	-0.1	+0.5	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-5.0	-1.3	-0.2	+0.3

Chebyshev(coeffs=[[3.53825,-2.9654,-0.217602,0.040978],[2.84648,1.67401,-0.0601461,-0.0197296],[0.366646,0.679725,0.0586208,-0.0285582],[-0.200774,0.125812,0.0434283,-0.0187931],[-0.126327,-0.0165221,0.0144665,-0.0041387],[0.00101332,-0.00494822,-0.00643006,0.000892439]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -41.93
S298 (cal/mol*K) = -45.88
G298 (kcal/mol) = -28.26

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(77); C2H3(100), C7H10(77); C5H7(210)+C2H3(100)(+M)=>C7H10(77)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.538e+00 -2.965e+00 -2.176e-01 4.098e-02 / CHEB/ 2.846e+00 1.674e+00 -6.015e-02 -1.973e-02 / CHEB/ 3.666e-01 6.797e-01 5.862e-02 -2.856e-02 / CHEB/ -2.008e-01 1.258e-01 4.343e-02 -1.879e-02 / CHEB/ -1.263e-01 -1.652e-02 1.447e-02 -4.139e-03 / CHEB/ 1.013e-03 -4.948e-03 -6.430e-03 8.924e-04 /

2400.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+2.8	+3.4	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+1.9	+2.7	+3.0

Chebyshev(coeffs=[[6.79072,-1.7923,-0.139951,0.0071521],[2.37741,0.678459,-0.11254,0.000832389],[0.31539,0.331526,-0.0150622,-0.00614587],[-0.175806,0.0961908,0.0218569,-0.0158401],[-0.125141,0.0178478,0.0275269,-0.00935077],[-0.0277143,0.0121373,0.0119157,-0.000384408]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.03
S298 (cal/mol*K) = -50.20
G298 (kcal/mol) = -29.07

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(78); C2H3(100), C7H10(78); C5H7(210)+C2H3(100)(+M)=>C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.791e+00 -1.792e+00 -1.400e-01 7.152e-03 / CHEB/ 2.377e+00 6.785e-01 -1.125e-01 8.324e-04 / CHEB/ 3.154e-01 3.315e-01 -1.506e-02 -6.146e-03 / CHEB/ -1.758e-01 9.619e-02 2.186e-02 -1.584e-02 / CHEB/ -1.251e-01 1.785e-02 2.753e-02 -9.351e-03 / CHEB/ -2.771e-02 1.214e-02 1.192e-02 -3.844e-04 /

2401.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+3.5	+4.1	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+0.4	+2.4	+3.3	+3.8

Chebyshev(coeffs=[[7.96513,-1.88732,-0.164372,0.00385244],[1.80902,0.559224,-0.167678,-0.00886454],[0.341866,0.303285,-0.0531681,-0.016828],[-0.0518123,0.116353,0.0093096,-0.0234817],[-0.0484794,0.0446803,0.0348148,-0.0130241],[-0.00294075,0.0278093,0.0262908,0.000155516]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.07
S298 (cal/mol*K) = -40.07
G298 (kcal/mol) = -58.13

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(80); C2H3(100), C7H10(80); C5H7(210)+C2H3(100)(+M)=>C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.965e+00 -1.887e+00 -1.644e-01 3.852e-03 / CHEB/ 1.809e+00 5.592e-01 -1.677e-01 -8.865e-03 / CHEB/ 3.419e-01 3.033e-01 -5.317e-02 -1.683e-02 / CHEB/ -5.181e-02 1.164e-01 9.310e-03 -2.348e-02 / CHEB/ -4.848e-02 4.468e-02 3.481e-02 -1.302e-02 / CHEB/ -2.941e-03 2.781e-02 2.629e-02 1.555e-04 /

2402.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-4.4	-0.9	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-16.8	-4.7	-1.1	+0.6

Chebyshev(coeffs=[[-9.29093,-1.08221,-0.239047,0.0111046],[16.1695,0.796656,0.0396128,-0.0596909],[-0.0812959,0.166436,0.0874809,-0.00554121],[-0.14979,-0.0357119,0.0276201,0.0157029],[-0.0676839,-0.0245712,-0.0049781,0.00753248],[-0.00852355,0.00962216,-0.00474846,-0.00175299]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.97
S298 (cal/mol*K) = -0.75
G298 (kcal/mol) = 42.19

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C6H8(81); C2H3(100), CH2(T)(82); C5H7(210)+C2H3(100)(+M)=>CH2(T)(82)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.291e+00 -1.082e+00 -2.390e-01 1.110e-02 / CHEB/ 1.617e+01 7.967e-01 3.961e-02 -5.969e-02 / CHEB/ -8.130e-02 1.664e-01 8.748e-02 -5.541e-03 / CHEB/ -1.498e-01 -3.571e-02 2.762e-02 1.570e-02 / CHEB/ -6.768e-02 -2.457e-02 -4.978e-03 7.532e-03 / CHEB/ -8.524e-03 9.622e-03 -4.748e-03 -1.753e-03 /

2403.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.8	-15.9	-8.4	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-38.9	-15.9	-8.5	-4.8

Chebyshev(coeffs=[[-31.1153,-0.169307,-0.103838,-0.0454034],[32.5573,0.113821,0.0680096,0.0280245],[-0.187302,0.00299132,0.0018174,0.000758199],[-0.066613,-0.00289756,-0.00306098,-0.00257631],[-0.0221048,0.00157186,0.00129886,0.000870476],[-0.00756379,0.00129426,0.00147165,0.00128835]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.38
S298 (cal/mol*K) = 5.38
G298 (kcal/mol) = 95.78

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C6H8(83); C2H3(100), CH2(T)(82); C5H7(210)+C2H3(100)(+M)=>CH2(T)(82)+C6H8(83)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.112e+01 -1.693e-01 -1.038e-01 -4.540e-02 / CHEB/ 3.256e+01 1.138e-01 6.801e-02 2.802e-02 / CHEB/ -1.873e-01 2.991e-03 1.817e-03 7.582e-04 / CHEB/ -6.661e-02 -2.898e-03 -3.061e-03 -2.576e-03 / CHEB/ -2.210e-02 1.572e-03 1.299e-03 8.705e-04 / CHEB/ -7.564e-03 1.294e-03 1.472e-03 1.288e-03 /

2404.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-2.7	+0.2	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-3.2	-0.1	+1.3

Chebyshev(coeffs=[[-5.42008,-1.29103,-0.203162,0.0096951],[12.7521,0.862739,-0.0330301,-0.0384087],[0.20133,0.245326,0.0782241,-0.0250409],[-0.121246,-0.00964332,0.0491468,0.0066339],[-0.0749575,-0.0266763,0.00710425,0.0122774],[-0.0109751,0.00527985,-0.00598033,0.00226106]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.03
S298 (cal/mol*K) = -9.23
G298 (kcal/mol) = 33.78

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(84); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(84)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.420e+00 -1.291e+00 -2.032e-01 9.695e-03 / CHEB/ 1.275e+01 8.627e-01 -3.303e-02 -3.841e-02 / CHEB/ 2.013e-01 2.453e-01 7.822e-02 -2.504e-02 / CHEB/ -1.212e-01 -9.643e-03 4.915e-02 6.634e-03 / CHEB/ -7.496e-02 -2.668e-02 7.104e-03 1.228e-02 / CHEB/ -1.098e-02 5.280e-03 -5.980e-03 2.261e-03 /

2405.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+4.6	+4.9	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+3.6	+4.1	+4.2

Chebyshev(coeffs=[[9.30589,-1.7967,-0.127301,-0.00822751],[1.32591,0.487265,-0.100926,0.0266797],[0.121098,0.251311,-0.0598667,-0.0122663],[-0.15132,0.110749,0.00387051,-0.0169089],[-0.114765,0.0409303,0.0237224,-0.0088739],[-0.0183205,0.0204638,0.0140631,-0.000839448]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.82
S298 (cal/mol*K) = -37.27
G298 (kcal/mol) = -24.71

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(89); C2H3(100), C7H10(89); C5H7(210)+C2H3(100)(+M)=>C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.306e+00 -1.797e+00 -1.273e-01 -8.228e-03 / CHEB/ 1.326e+00 4.873e-01 -1.009e-01 2.668e-02 / CHEB/ 1.211e-01 2.513e-01 -5.987e-02 -1.227e-02 / CHEB/ -1.513e-01 1.107e-01 3.871e-03 -1.691e-02 / CHEB/ -1.148e-01 4.093e-02 2.372e-02 -8.874e-03 / CHEB/ -1.832e-02 2.046e-02 1.406e-02 -8.394e-04 /

2406.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+1.1	+2.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-5.0	-0.1	+1.6	+2.3

Chebyshev(coeffs=[[3.66651,-2.68356,-0.307679,0.0356069],[4.34451,1.47707,-0.120326,-0.0561984],[0.743603,0.518492,0.0792524,-0.026194],[-0.119437,0.0773565,0.0822675,0.00289304],[-0.109271,-0.0169118,0.0341207,0.00653061],[-0.0230822,0.00366874,0.00284446,0.00228436]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.55
S298 (cal/mol*K) = -35.30
G298 (kcal/mol) = -13.03

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(90); C2H3(100), C7H10(90); C5H7(210)+C2H3(100)(+M)=>C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.667e+00 -2.684e+00 -3.077e-01 3.561e-02 / CHEB/ 4.345e+00 1.477e+00 -1.203e-01 -5.620e-02 / CHEB/ 7.436e-01 5.185e-01 7.925e-02 -2.619e-02 / CHEB/ -1.194e-01 7.736e-02 8.227e-02 2.893e-03 / CHEB/ -1.093e-01 -1.691e-02 3.412e-02 6.531e-03 / CHEB/ -2.308e-02 3.669e-03 2.844e-03 2.284e-03 /

2407.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.4	-0.4	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-3.0	-0.7	+0.2

Chebyshev(coeffs=[[-2.82431,-1.47333,-0.181351,0.00258864],[9.14981,0.830763,-0.0802081,-0.0122853],[0.215112,0.296517,0.0448748,-0.0296886],[-0.158409,0.0282537,0.0544635,-0.00900268],[-0.103698,-0.0144968,0.0213165,0.00852933],[-0.024521,0.0068414,-0.00136394,0.00590044]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.11
S298 (cal/mol*K) = -33.61
G298 (kcal/mol) = 14.13

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(91); C2H3(100), C7H10(91); C5H7(210)+C2H3(100)(+M)=>C7H10(91)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.824e+00 -1.473e+00 -1.814e-01 2.589e-03 / CHEB/ 9.150e+00 8.308e-01 -8.021e-02 -1.229e-02 / CHEB/ 2.151e-01 2.965e-01 4.487e-02 -2.969e-02 / CHEB/ -1.584e-01 2.825e-02 5.446e-02 -9.003e-03 / CHEB/ -1.037e-01 -1.450e-02 2.132e-02 8.529e-03 / CHEB/ -2.452e-02 6.841e-03 -1.364e-03 5.900e-03 /

2408.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+2.3	+2.6	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+1.3	+1.9	+2.0

Chebyshev(coeffs=[[6.74821,-1.83561,-0.133385,0.00864009],[1.64486,0.631174,-0.112168,0.0024068],[0.161754,0.323537,-0.021197,-0.00389555],[-0.177848,0.103526,0.0147422,-0.0136127],[-0.110016,0.024976,0.0238557,-0.00961012],[-0.0247779,0.0146652,0.012105,-0.00209764]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.46
S298 (cal/mol*K) = -62.03
G298 (kcal/mol) = -33.98

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(33); C2H3(100), C7H10(33); C5H7(210)+C2H3(100)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.748e+00 -1.836e+00 -1.334e-01 8.640e-03 / CHEB/ 1.645e+00 6.312e-01 -1.122e-01 2.407e-03 / CHEB/ 1.618e-01 3.235e-01 -2.120e-02 -3.896e-03 / CHEB/ -1.778e-01 1.035e-01 1.474e-02 -1.361e-02 / CHEB/ -1.100e-01 2.498e-02 2.386e-02 -9.610e-03 / CHEB/ -2.478e-02 1.467e-02 1.211e-02 -2.098e-03 /

2409.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+3.2	+3.3	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+2.2	+2.6	+2.6

Chebyshev(coeffs=[[7.80284,-1.85173,-0.13235,0.0092904],[1.32246,0.605696,-0.111712,0.00338887],[0.0654375,0.312194,-0.0230266,-0.0026563],[-0.200058,0.102284,0.0119264,-0.0127037],[-0.110419,0.0267823,0.0219704,-0.00961023],[-0.0245226,0.0159606,0.011596,-0.00262097]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.07
S298 (cal/mol*K) = -40.07
G298 (kcal/mol) = -58.13

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(92); C2H3(100), C7H10(92); C5H7(210)+C2H3(100)(+M)=>C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.803e+00 -1.852e+00 -1.323e-01 9.290e-03 / CHEB/ 1.322e+00 6.057e-01 -1.117e-01 3.389e-03 / CHEB/ 6.544e-02 3.122e-01 -2.303e-02 -2.656e-03 / CHEB/ -2.001e-01 1.023e-01 1.193e-02 -1.270e-02 / CHEB/ -1.104e-01 2.678e-02 2.197e-02 -9.610e-03 / CHEB/ -2.452e-02 1.596e-02 1.160e-02 -2.621e-03 /

2410.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+4.4	+3.8	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+2.4	+3.8	+3.6	+3.1

Chebyshev(coeffs=[[9.19205,-1.38388,-0.244379,0.0342522],[0.475184,1.12518,-0.141132,-0.0150951],[-0.334175,0.485681,0.0175842,-0.0111271],[-0.346996,0.0924142,0.0456911,-0.00199517],[-0.14952,-0.0277876,0.0277134,0.00443509],[-0.0163707,-0.0239638,0.00245248,0.00354032]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.51
S298 (cal/mol*K) = -48.89
G298 (kcal/mol) = -75.94

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(93); C2H3(100), C7H10(93); C5H7(210)+C2H3(100)(+M)=>C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.192e+00 -1.384e+00 -2.444e-01 3.425e-02 / CHEB/ 4.752e-01 1.125e+00 -1.411e-01 -1.510e-02 / CHEB/ -3.342e-01 4.857e-01 1.758e-02 -1.113e-02 / CHEB/ -3.470e-01 9.241e-02 4.569e-02 -1.995e-03 / CHEB/ -1.495e-01 -2.779e-02 2.771e-02 4.435e-03 / CHEB/ -1.637e-02 -2.396e-02 2.452e-03 3.540e-03 /

2411.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-2.8	-1.3	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-3.7	-1.8	-1.1

Chebyshev(coeffs=[[-1.04067,-2.28642,-0.173704,0.0761379],[5.81182,1.51884,-0.060357,-0.0832094],[0.509214,0.2637,-0.0143032,-0.0227867],[-0.173498,0.0482926,0.0406017,-0.00382835],[-0.103222,0.000448233,0.0257474,-0.00502128],[-0.027561,0.00392482,0.00883434,0.00395146]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.00
S298 (cal/mol*K) = -37.00
G298 (kcal/mol) = 10.03

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(54); C2H3(100), C7H10(54); C5H7(210)+C2H3(100)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.041e+00 -2.286e+00 -1.737e-01 7.614e-02 / CHEB/ 5.812e+00 1.519e+00 -6.036e-02 -8.321e-02 / CHEB/ 5.092e-01 2.637e-01 -1.430e-02 -2.279e-02 / CHEB/ -1.735e-01 4.829e-02 4.060e-02 -3.828e-03 / CHEB/ -1.032e-01 4.482e-04 2.575e-02 -5.021e-03 / CHEB/ -2.756e-02 3.925e-03 8.834e-03 3.951e-03 /

2412.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-1.5	+0.8	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-2.1	+0.5	+1.6

Chebyshev(coeffs=[[-2.36229,-1.43581,-0.182864,0.00295971],[9.93202,0.854405,-0.07193,-0.0165425],[0.305988,0.292594,0.053749,-0.0301591],[-0.131377,0.0197356,0.0559671,-0.00589604],[-0.0919411,-0.0192029,0.018921,0.0103179],[-0.0201262,0.00526378,-0.00289231,0.00563486]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.48
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = 17.39

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C6H8(94); C2H3(100), CH2(T)(82); C5H7(210)+C2H3(100)(+M)=>C6H8(94)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.362e+00 -1.436e+00 -1.829e-01 2.960e-03 / CHEB/ 9.932e+00 8.544e-01 -7.193e-02 -1.654e-02 / CHEB/ 3.060e-01 2.926e-01 5.375e-02 -3.016e-02 / CHEB/ -1.314e-01 1.974e-02 5.597e-02 -5.896e-03 / CHEB/ -9.194e-02 -1.920e-02 1.892e-02 1.032e-02 / CHEB/ -2.013e-02 5.264e-03 -2.892e-03 5.635e-03 /

2413.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-5.5	-4.1	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-6.3	-4.7	-4.0

Chebyshev(coeffs=[[-3.34014,-1.72432,-0.155103,0.00278869],[5.24232,0.723619,-0.113014,-0.00174583],[0.554644,0.322524,-0.00850932,-0.013035],[-0.170118,0.0738617,0.03036,-0.0200853],[-0.125856,0.00383976,0.0285675,-0.00703635],[-0.0405238,0.00817857,0.008162,0.00273385]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.62
S298 (cal/mol*K) = -43.77
G298 (kcal/mol) = 16.66

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(24); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>C7H9(24)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.340e+00 -1.724e+00 -1.551e-01 2.789e-03 / CHEB/ 5.242e+00 7.236e-01 -1.130e-01 -1.746e-03 / CHEB/ 5.546e-01 3.225e-01 -8.509e-03 -1.303e-02 / CHEB/ -1.701e-01 7.386e-02 3.036e-02 -2.009e-02 / CHEB/ -1.259e-01 3.840e-03 2.857e-02 -7.036e-03 / CHEB/ -4.052e-02 8.179e-03 8.162e-03 2.734e-03 /

2414.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	+0.3	+1.2	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-4.0	-0.7	+0.5	+0.8

Chebyshev(coeffs=[[3.71323,-1.83193,-0.138875,0.00692829],[3.27783,0.627718,-0.117023,0.000141474],[0.402497,0.313166,-0.0239008,-0.00597605],[-0.1579,0.094641,0.0130293,-0.0154697],[-0.117036,0.0198041,0.0225508,-0.0103924],[-0.0340588,0.0122546,0.0108786,-0.00203531]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.87
S298 (cal/mol*K) = -32.86
G298 (kcal/mol) = -7.08

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(5); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>C7H9(5)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.713e+00 -1.832e+00 -1.389e-01 6.928e-03 / CHEB/ 3.278e+00 6.277e-01 -1.170e-01 1.415e-04 / CHEB/ 4.025e-01 3.132e-01 -2.390e-02 -5.976e-03 / CHEB/ -1.579e-01 9.464e-02 1.303e-02 -1.547e-02 / CHEB/ -1.170e-01 1.980e-02 2.255e-02 -1.039e-02 / CHEB/ -3.406e-02 1.225e-02 1.088e-02 -2.035e-03 /

2415.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-7.8	-5.8	-5.2
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-8.6	-6.4	-5.5

Chebyshev(coeffs=[[-7.01243,-1.6391,-0.166726,-0.000578017],[7.41232,0.761044,-0.105739,-0.001468],[0.531954,0.317364,0.00562341,-0.0212856],[-0.137729,0.0571874,0.0410338,-0.0199552],[-0.117348,-0.00434335,0.0278185,-0.00170941],[-0.039249,0.00693713,0.00441808,0.00521636]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.17
S298 (cal/mol*K) = -45.48
G298 (kcal/mol) = 27.72

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(26); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.012e+00 -1.639e+00 -1.667e-01 -5.780e-04 / CHEB/ 7.412e+00 7.610e-01 -1.057e-01 -1.468e-03 / CHEB/ 5.320e-01 3.174e-01 5.623e-03 -2.129e-02 / CHEB/ -1.377e-01 5.719e-02 4.103e-02 -1.996e-02 / CHEB/ -1.173e-01 -4.343e-03 2.782e-02 -1.709e-03 / CHEB/ -3.925e-02 6.937e-03 4.418e-03 5.216e-03 /

2416.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-5.2	-3.6	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-6.1	-4.2	-3.4

Chebyshev(coeffs=[[-3.47268,-1.71125,-0.157058,0.00216984],[5.87443,0.73099,-0.111852,-0.00166955],[0.626026,0.322318,-0.00659873,-0.0141794],[-0.146082,0.0713202,0.0322515,-0.0203536],[-0.118091,0.00238534,0.0287225,-0.00629883],[-0.0381738,0.00793052,0.00761649,0.00323599]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.97
S298 (cal/mol*K) = -46.58
G298 (kcal/mol) = 18.85

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(27); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.473e+00 -1.711e+00 -1.571e-01 2.170e-03 / CHEB/ 5.874e+00 7.310e-01 -1.119e-01 -1.670e-03 / CHEB/ 6.260e-01 3.223e-01 -6.599e-03 -1.418e-02 / CHEB/ -1.461e-01 7.132e-02 3.225e-02 -2.035e-02 / CHEB/ -1.181e-01 2.385e-03 2.872e-02 -6.299e-03 / CHEB/ -3.817e-02 7.931e-03 7.616e-03 3.236e-03 /

2417.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+0.4	+1.4	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-3.2	-0.5	+0.7	+1.3

Chebyshev(coeffs=[[4.53169,-1.84637,-0.147974,-0.000617905],[2.55689,0.634165,-0.140427,-0.0138784],[0.463426,0.351198,-0.0382488,-0.013099],[0.00443068,0.128738,0.012627,-0.0149992],[-0.0399219,0.0263565,0.0315456,-0.00669382],[-0.034587,-0.00794599,0.0200784,0.00201733]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.61
S298 (cal/mol*K) = -51.94
G298 (kcal/mol) = -24.13

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(28); C2H3(100), C7H10(28); C5H7(210)+C2H3(100)(+M)=>C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.532e+00 -1.846e+00 -1.480e-01 -6.179e-04 / CHEB/ 2.557e+00 6.342e-01 -1.404e-01 -1.388e-02 / CHEB/ 4.634e-01 3.512e-01 -3.825e-02 -1.310e-02 / CHEB/ 4.431e-03 1.287e-01 1.263e-02 -1.500e-02 / CHEB/ -3.992e-02 2.636e-02 3.155e-02 -6.694e-03 / CHEB/ -3.459e-02 -7.946e-03 2.008e-02 2.017e-03 /

2418.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+0.3	+1.2	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-4.3	-0.7	+0.5	+0.9

Chebyshev(coeffs=[[3.52128,-1.8067,-0.142658,0.00627975],[3.53181,0.654911,-0.117279,-0.000317559],[0.43649,0.316763,-0.020329,-0.00717466],[-0.172254,0.0890098,0.0173387,-0.016684],[-0.126177,0.0148722,0.0246406,-0.010071],[-0.0383218,0.0106926,0.0106019,-0.000961169]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.21
S298 (cal/mol*K) = -46.32
G298 (kcal/mol) = -2.41

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(29); C2H3(100), C7H10(29); C5H7(210)+C2H3(100)(+M)=>C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.521e+00 -1.807e+00 -1.427e-01 6.280e-03 / CHEB/ 3.532e+00 6.549e-01 -1.173e-01 -3.176e-04 / CHEB/ 4.365e-01 3.168e-01 -2.033e-02 -7.175e-03 / CHEB/ -1.723e-01 8.901e-02 1.734e-02 -1.668e-02 / CHEB/ -1.262e-01 1.487e-02 2.464e-02 -1.007e-02 / CHEB/ -3.832e-02 1.069e-02 1.060e-02 -9.612e-04 /

2419.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	-2.0	-0.6	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-2.8	-1.2	-0.6

Chebyshev(coeffs=[[0.482549,-1.75405,-0.150544,0.00415102],[4.80506,0.703504,-0.115371,-0.0016474],[0.589723,0.322158,-0.0127749,-0.0106916],[-0.158353,0.0795767,0.0258502,-0.0191403],[-0.122179,0.00750188,0.0277329,-0.00850141],[-0.0381527,0.0088464,0.00931141,0.00146223]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.21
S298 (cal/mol*K) = -46.32
G298 (kcal/mol) = -2.41

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(30); C2H3(100), C7H10(30); C5H7(210)+C2H3(100)(+M)=>C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.825e-01 -1.754e+00 -1.505e-01 4.151e-03 / CHEB/ 4.805e+00 7.035e-01 -1.154e-01 -1.647e-03 / CHEB/ 5.897e-01 3.222e-01 -1.277e-02 -1.069e-02 / CHEB/ -1.584e-01 7.958e-02 2.585e-02 -1.914e-02 / CHEB/ -1.222e-01 7.502e-03 2.773e-02 -8.501e-03 / CHEB/ -3.815e-02 8.846e-03 9.311e-03 1.462e-03 /

2420.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	-0.1	+0.5	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-3.5	-1.0	-0.1	+0.2

Chebyshev(coeffs=[[4.00521,-1.83615,-0.137915,0.00310633],[2.36008,0.637793,-0.120893,-0.0072634],[0.274183,0.339205,-0.0295993,-0.0104373],[-0.128765,0.119325,0.00894618,-0.0167822],[-0.0822859,0.0321391,0.0220751,-0.0104021],[-0.0165142,0.0120608,0.0131044,-0.00140374]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.76
S298 (cal/mol*K) = -44.61
G298 (kcal/mol) = -13.47

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(31); C2H3(100), C7H10(31); C5H7(210)+C2H3(100)(+M)=>C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.005e+00 -1.836e+00 -1.379e-01 3.106e-03 / CHEB/ 2.360e+00 6.378e-01 -1.209e-01 -7.263e-03 / CHEB/ 2.742e-01 3.392e-01 -2.960e-02 -1.044e-02 / CHEB/ -1.288e-01 1.193e-01 8.946e-03 -1.678e-02 / CHEB/ -8.229e-02 3.214e-02 2.208e-02 -1.040e-02 / CHEB/ -1.651e-02 1.206e-02 1.310e-02 -1.404e-03 /

2421.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-2.1	-1.5	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-3.1	-2.3	-2.0

Chebyshev(coeffs=[[1.69946,-1.87407,-0.133072,0.00862084],[2.64106,0.57386,-0.114905,0.00254572],[0.241009,0.296226,-0.0284697,-0.00314206],[-0.17888,0.0964135,0.00635843,-0.0128655],[-0.1164,0.0246684,0.0183075,-0.0100439],[-0.032055,0.0142519,0.0101404,-0.003362]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.06
S298 (cal/mol*K) = -55.03
G298 (kcal/mol) = -12.66

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(32); C2H3(100), C7H10(32); C5H7(210)+C2H3(100)(+M)=>C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.699e+00 -1.874e+00 -1.331e-01 8.621e-03 / CHEB/ 2.641e+00 5.739e-01 -1.149e-01 2.546e-03 / CHEB/ 2.410e-01 2.962e-01 -2.847e-02 -3.142e-03 / CHEB/ -1.789e-01 9.641e-02 6.358e-03 -1.287e-02 / CHEB/ -1.164e-01 2.467e-02 1.831e-02 -1.004e-02 / CHEB/ -3.206e-02 1.425e-02 1.014e-02 -3.362e-03 /

2422.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-2.8	-2.1	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-3.7	-2.8	-2.5

Chebyshev(coeffs=[[0.973512,-1.86027,-0.135028,0.00816709],[2.79526,0.591752,-0.11579,0.0019102],[0.285562,0.301838,-0.0270644,-0.00394723],[-0.174729,0.0956021,0.00853806,-0.0136823],[-0.11839,0.0227826,0.019759,-0.0102137],[-0.0336934,0.0134424,0.0104448,-0.00297709]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.06
S298 (cal/mol*K) = -56.41
G298 (kcal/mol) = -12.25

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(34); C2H3(100), C7H10(34); C5H7(210)+C2H3(100)(+M)=>C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.735e-01 -1.860e+00 -1.350e-01 8.167e-03 / CHEB/ 2.795e+00 5.918e-01 -1.158e-01 1.910e-03 / CHEB/ 2.856e-01 3.018e-01 -2.706e-02 -3.947e-03 / CHEB/ -1.747e-01 9.560e-02 8.538e-03 -1.368e-02 / CHEB/ -1.184e-01 2.278e-02 1.976e-02 -1.021e-02 / CHEB/ -3.369e-02 1.344e-02 1.044e-02 -2.977e-03 /

2423.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	-0.7	-0.2	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-1.7	-1.0	-0.8

Chebyshev(coeffs=[[3.18551,-1.844,-0.137172,0.00687049],[2.40978,0.614747,-0.117097,-0.00026513],[0.217736,0.312479,-0.0260113,-0.00590907],[-0.196444,0.0988833,0.0105859,-0.0151325],[-0.124766,0.0233835,0.0212974,-0.0105722],[-0.0352946,0.0135428,0.0109623,-0.00254548]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.76
S298 (cal/mol*K) = -43.23
G298 (kcal/mol) = -13.88

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(35); C2H3(100), C7H10(35); C5H7(210)+C2H3(100)(+M)=>C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.186e+00 -1.844e+00 -1.372e-01 6.870e-03 / CHEB/ 2.410e+00 6.147e-01 -1.171e-01 -2.651e-04 / CHEB/ 2.177e-01 3.125e-01 -2.601e-02 -5.909e-03 / CHEB/ -1.964e-01 9.888e-02 1.059e-02 -1.513e-02 / CHEB/ -1.248e-01 2.338e-02 2.130e-02 -1.057e-02 / CHEB/ -3.529e-02 1.354e-02 1.096e-02 -2.545e-03 /

2424.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-0.4	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-1.1	+1.1	+1.9

Chebyshev(coeffs=[[-0.0321624,-1.59872,-0.171721,-0.000930007],[7.96161,0.772705,-0.102139,-0.00288258],[0.395613,0.311935,0.0136064,-0.0250686],[-0.153598,0.0494533,0.044556,-0.0184383],[-0.122695,-0.00745528,0.0263242,0.000901007],[-0.0418424,0.00653813,0.00267941,0.00572086]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.72
S298 (cal/mol*K) = -30.85
G298 (kcal/mol) = 24.91

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(36); C2H3(100), C7H10(36); C5H7(210)+C2H3(100)(+M)=>C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.216e-02 -1.599e+00 -1.717e-01 -9.300e-04 / CHEB/ 7.962e+00 7.727e-01 -1.021e-01 -2.883e-03 / CHEB/ 3.956e-01 3.119e-01 1.361e-02 -2.507e-02 / CHEB/ -1.536e-01 4.945e-02 4.456e-02 -1.844e-02 / CHEB/ -1.227e-01 -7.455e-03 2.632e-02 9.010e-04 / CHEB/ -4.184e-02 6.538e-03 2.679e-03 5.721e-03 /

2425.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+1.9	+3.0	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+1.0	+2.3	+2.8

Chebyshev(coeffs=[[5.05682,-1.81266,-0.141796,0.00650119],[3.7776,0.648456,-0.117274,-9.89591e-05],[0.497098,0.315627,-0.0211585,-0.00680456],[-0.149573,0.0899526,0.0163517,-0.0163673],[-0.118167,0.0157593,0.0241711,-0.0101567],[-0.0353764,0.0109575,0.0106644,-0.00122033]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.03
S298 (cal/mol*K) = -32.85
G298 (kcal/mol) = -6.24

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(39); C2H3(100), C7H10(39); C5H7(210)+C2H3(100)(+M)=>C7H10(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.057e+00 -1.813e+00 -1.418e-01 6.501e-03 / CHEB/ 3.778e+00 6.485e-01 -1.173e-01 -9.896e-05 / CHEB/ 4.971e-01 3.156e-01 -2.116e-02 -6.805e-03 / CHEB/ -1.496e-01 8.995e-02 1.635e-02 -1.637e-02 / CHEB/ -1.182e-01 1.576e-02 2.417e-02 -1.016e-02 / CHEB/ -3.538e-02 1.096e-02 1.066e-02 -1.220e-03 /

2426.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-2.2	-0.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-2.8	-0.4	+0.3

Chebyshev(coeffs=[[-4.18651,-1.42177,-0.235697,-0.00314905],[11.1807,0.820341,-0.037191,-0.017842],[-0.138612,0.233707,0.0506609,-0.029818],[-0.254879,-0.00666758,0.0410112,-0.00210618],[-0.159983,-0.02519,0.0102238,0.00991019],[-0.061841,0.00492904,-0.00388289,0.00376473]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.09
S298 (cal/mol*K) = 0.34
G298 (kcal/mol) = 33.99

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C4H5(99); C2H3(100), C3H5(129); C5H7(210)+C2H3(100)(+M)=>C3H5(129)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.187e+00 -1.422e+00 -2.357e-01 -3.149e-03 / CHEB/ 1.118e+01 8.203e-01 -3.719e-02 -1.784e-02 / CHEB/ -1.386e-01 2.337e-01 5.066e-02 -2.982e-02 / CHEB/ -2.549e-01 -6.668e-03 4.101e-02 -2.106e-03 / CHEB/ -1.600e-01 -2.519e-02 1.022e-02 9.910e-03 / CHEB/ -6.184e-02 4.929e-03 -3.883e-03 3.765e-03 /

2427.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-1.3	+0.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-2.2	-0.3	+0.3

Chebyshev(coeffs=[[0.0312248,-1.85148,-0.269604,-0.0357006],[6.33473,0.962354,0.0115513,0.0389021],[0.452402,0.272094,-0.0116728,-0.0155061],[-0.17709,0.0310942,0.0247319,-0.0248416],[-0.138318,-0.00526836,0.02786,-0.00287578],[-0.0461085,0.0092032,0.0076328,0.00662811]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.28
S298 (cal/mol*K) = -22.58
G298 (kcal/mol) = 17.01

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(130); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(130)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.122e-02 -1.851e+00 -2.696e-01 -3.570e-02 / CHEB/ 6.335e+00 9.624e-01 1.155e-02 3.890e-02 / CHEB/ 4.524e-01 2.721e-01 -1.167e-02 -1.551e-02 / CHEB/ -1.771e-01 3.109e-02 2.473e-02 -2.484e-02 / CHEB/ -1.383e-01 -5.268e-03 2.786e-02 -2.876e-03 / CHEB/ -4.611e-02 9.203e-03 7.633e-03 6.628e-03 /

2428.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-4.1	-1.7	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-4.7	-2.1	-1.1

Chebyshev(coeffs=[[-6.05873,-1.46011,-0.234682,-0.00674343],[11.3589,0.826939,-0.0406362,-0.0102925],[0.0639283,0.241472,0.0450371,-0.0309757],[-0.201708,-0.00255547,0.0414918,-0.00486867],[-0.144415,-0.0242547,0.0122761,0.00946413],[-0.056331,0.00471649,-0.00328786,0.00446468]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.88
S298 (cal/mol*K) = -13.00
G298 (kcal/mol) = 36.75

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(131); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(131)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.059e+00 -1.460e+00 -2.347e-01 -6.743e-03 / CHEB/ 1.136e+01 8.269e-01 -4.064e-02 -1.029e-02 / CHEB/ 6.393e-02 2.415e-01 4.504e-02 -3.098e-02 / CHEB/ -2.017e-01 -2.555e-03 4.149e-02 -4.869e-03 / CHEB/ -1.444e-01 -2.425e-02 1.228e-02 9.464e-03 / CHEB/ -5.633e-02 4.716e-03 -3.288e-03 4.465e-03 /

2429.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.5	-2.9	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-6.0	-3.2	-2.2

Chebyshev(coeffs=[[-7.98792,-1.41277,-0.236058,-0.0023671],[12.2268,0.818851,-0.03613,-0.0195735],[0.0540781,0.231753,0.0519222,-0.0294799],[-0.196763,-0.00765536,0.0408293,-0.00146471],[-0.140215,-0.0253885,0.00973528,0.0099848],[-0.0548839,0.00499623,-0.00400749,0.00359433]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.88
S298 (cal/mol*K) = -15.70
G298 (kcal/mol) = 40.56

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(132); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(132)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.988e+00 -1.413e+00 -2.361e-01 -2.367e-03 / CHEB/ 1.223e+01 8.189e-01 -3.613e-02 -1.957e-02 / CHEB/ 5.408e-02 2.318e-01 5.192e-02 -2.948e-02 / CHEB/ -1.968e-01 -7.655e-03 4.083e-02 -1.465e-03 / CHEB/ -1.402e-01 -2.539e-02 9.735e-03 9.985e-03 / CHEB/ -5.488e-02 4.996e-03 -4.007e-03 3.594e-03 /

2430.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-3.2	-0.5	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-3.6	-0.7	+0.3

Chebyshev(coeffs=[[-6.89639,-1.25554,-0.24773,0.00668557],[13.9235,0.789545,-0.00476122,-0.0453076],[-0.229183,0.192588,0.0689432,-0.0198729],[-0.257953,-0.0249722,0.033836,0.00817168],[-0.151649,-0.0271039,0.00136667,0.00948892],[-0.0585977,0.00706837,-0.00508535,0.000615616]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.03
S298 (cal/mol*K) = 0.31
G298 (kcal/mol) = 43.94

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C5H7(133); C2H3(100), C2H3(100); C5H7(210)+C2H3(100)(+M)=>C5H7(133)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.896e+00 -1.256e+00 -2.477e-01 6.686e-03 / CHEB/ 1.392e+01 7.895e-01 -4.761e-03 -4.531e-02 / CHEB/ -2.292e-01 1.926e-01 6.894e-02 -1.987e-02 / CHEB/ -2.580e-01 -2.497e-02 3.384e-02 8.172e-03 / CHEB/ -1.516e-01 -2.710e-02 1.367e-03 9.489e-03 / CHEB/ -5.860e-02 7.068e-03 -5.085e-03 6.156e-04 /

2431.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-2.7	-0.4	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-3.4	-0.8	+0.2

Chebyshev(coeffs=[[-3.8636,-1.53876,-0.231116,-0.0160326],[10.2457,0.871551,-0.0322468,0.00920031],[0.244832,0.275159,0.0374352,-0.0308694],[-0.148162,0.0184749,0.046082,-0.0105757],[-0.120229,-0.0138136,0.0205832,0.0083788],[-0.0408163,0.00949274,0.000694445,0.00635916]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.68
S298 (cal/mol*K) = -16.80
G298 (kcal/mol) = 31.68

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(134); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(134)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.864e+00 -1.539e+00 -2.311e-01 -1.603e-02 / CHEB/ 1.025e+01 8.716e-01 -3.225e-02 9.200e-03 / CHEB/ 2.448e-01 2.752e-01 3.744e-02 -3.087e-02 / CHEB/ -1.482e-01 1.847e-02 4.608e-02 -1.058e-02 / CHEB/ -1.202e-01 -1.381e-02 2.058e-02 8.379e-03 / CHEB/ -4.082e-02 9.493e-03 6.944e-04 6.359e-03 /

2432.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-2.7	-0.4	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-3.4	-0.8	+0.3

Chebyshev(coeffs=[[-3.85873,-1.53804,-0.230938,-0.0159187],[10.2504,0.871551,-0.0324268,0.00906094],[0.245002,0.274511,0.0372742,-0.0309863],[-0.148785,0.0180533,0.0460397,-0.0105402],[-0.120478,-0.0140105,0.020495,0.00840528],[-0.0408517,0.00938085,0.000590276,0.00632864]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.68
S298 (cal/mol*K) = -16.80
G298 (kcal/mol) = 31.68

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(135); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(135)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.859e+00 -1.538e+00 -2.309e-01 -1.592e-02 / CHEB/ 1.025e+01 8.716e-01 -3.243e-02 9.061e-03 / CHEB/ 2.450e-01 2.745e-01 3.727e-02 -3.099e-02 / CHEB/ -1.488e-01 1.805e-02 4.604e-02 -1.054e-02 / CHEB/ -1.205e-01 -1.401e-02 2.049e-02 8.405e-03 / CHEB/ -4.085e-02 9.381e-03 5.903e-04 6.329e-03 /

2433.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-4.9	-2.1	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-5.4	-2.5	-1.3

Chebyshev(coeffs=[[-7.7855,-1.37861,-0.23781,0.000378756],[12.8505,0.813087,-0.0312818,-0.025973],[0.0463748,0.22404,0.0564563,-0.0279547],[-0.193695,-0.0114573,0.0399029,0.000905621],[-0.137311,-0.0260488,0.00787639,0.0101623],[-0.0538138,0.00530426,-0.0044199,0.00293628]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.08
S298 (cal/mol*K) = -16.12
G298 (kcal/mol) = 42.88

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(136); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(136)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.786e+00 -1.379e+00 -2.378e-01 3.788e-04 / CHEB/ 1.285e+01 8.131e-01 -3.128e-02 -2.597e-02 / CHEB/ 4.637e-02 2.240e-01 5.646e-02 -2.795e-02 / CHEB/ -1.937e-01 -1.146e-02 3.990e-02 9.056e-04 / CHEB/ -1.373e-01 -2.605e-02 7.876e-03 1.016e-02 / CHEB/ -5.381e-02 5.304e-03 -4.420e-03 2.936e-03 /

2434.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-1.6	+0.5	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-2.3	+0.1	+0.9

Chebyshev(coeffs=[[-2.40312,-1.61726,-0.239748,-0.0144096],[9.58916,0.890179,-0.0680426,-0.00359324],[0.145215,0.264007,0.0348274,-0.0381096],[-0.186202,0.0181695,0.0476921,-0.0123277],[-0.136489,-0.0169842,0.0218863,0.0095967],[-0.0490895,0.00797637,-6.05886e-05,0.00696424]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.46
S298 (cal/mol*K) = -7.87
G298 (kcal/mol) = 26.80

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C6H8(94); C2H3(100), CH2(137); C5H7(210)+C2H3(100)(+M)=>CH2(137)+C6H8(94)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.403e+00 -1.617e+00 -2.397e-01 -1.441e-02 / CHEB/ 9.589e+00 8.902e-01 -6.804e-02 -3.593e-03 / CHEB/ 1.452e-01 2.640e-01 3.483e-02 -3.811e-02 / CHEB/ -1.862e-01 1.817e-02 4.769e-02 -1.233e-02 / CHEB/ -1.365e-01 -1.698e-02 2.189e-02 9.597e-03 / CHEB/ -4.909e-02 7.976e-03 -6.059e-05 6.964e-03 /

2435.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+1.0	+1.7	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+0.0	+1.0	+1.2

Chebyshev(coeffs=[[4.47969,-2.17621,-0.307606,-0.0268019],[3.00466,1.05686,0.0559332,0.0217832],[0.348575,0.265758,-0.0179585,0.0129515],[-0.210339,0.0398043,-0.00610237,-0.0206377],[-0.136356,0.0114334,0.0204752,-0.0135123],[-0.0360031,0.0176332,0.0153049,0.000764753]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.24
S298 (cal/mol*K) = -36.20
G298 (kcal/mol) = -8.45

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(138); C2H3(100), C7H10(138); C5H7(210)+C2H3(100)(+M)=>C7H10(138)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.480e+00 -2.176e+00 -3.076e-01 -2.680e-02 / CHEB/ 3.005e+00 1.057e+00 5.593e-02 2.178e-02 / CHEB/ 3.486e-01 2.658e-01 -1.796e-02 1.295e-02 / CHEB/ -2.103e-01 3.980e-02 -6.102e-03 -2.064e-02 / CHEB/ -1.364e-01 1.143e-02 2.048e-02 -1.351e-02 / CHEB/ -3.600e-02 1.763e-02 1.530e-02 7.648e-04 /

2436.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-0.5	+1.1	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-1.3	+0.5	+1.1

Chebyshev(coeffs=[[0.578946,-1.81538,-0.267056,-0.0368934],[6.71951,0.933232,0.000610021,0.0395633],[0.385187,0.267726,-0.00920866,-0.0195196],[-0.189688,0.0228538,0.0254969,-0.0244691],[-0.147277,-0.0111852,0.025588,-0.00148136],[-0.0523713,0.00648752,0.00548239,0.00677515]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.58
S298 (cal/mol*K) = -34.08
G298 (kcal/mol) = 16.74

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(139); C2H3(100), C7H10(139); C5H7(210)+C2H3(100)(+M)=>C7H10(139)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.789e-01 -1.815e+00 -2.671e-01 -3.689e-02 / CHEB/ 6.720e+00 9.332e-01 6.100e-04 3.956e-02 / CHEB/ 3.852e-01 2.677e-01 -9.209e-03 -1.952e-02 / CHEB/ -1.897e-01 2.285e-02 2.550e-02 -2.447e-02 / CHEB/ -1.473e-01 -1.119e-02 2.559e-02 -1.481e-03 / CHEB/ -5.237e-02 6.488e-03 5.482e-03 6.775e-03 /

2437.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-0.2	+1.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-1.0	+0.8	+1.4

Chebyshev(coeffs=[[0.929269,-1.81497,-0.266991,-0.036882],[6.63107,0.933073,0.000528779,0.0395535],[0.364412,0.26775,-0.00915719,-0.0195505],[-0.195701,0.022849,0.0255348,-0.0244572],[-0.149269,-0.0111959,0.0255853,-0.0014645],[-0.053078,0.00648946,0.00547385,0.00677814]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.45
S298 (cal/mol*K) = -32.60
G298 (kcal/mol) = 16.17

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(140); C2H3(100), C7H10(140); C5H7(210)+C2H3(100)(+M)=>C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.293e-01 -1.815e+00 -2.670e-01 -3.688e-02 / CHEB/ 6.631e+00 9.331e-01 5.288e-04 3.955e-02 / CHEB/ 3.644e-01 2.677e-01 -9.157e-03 -1.955e-02 / CHEB/ -1.957e-01 2.285e-02 2.553e-02 -2.446e-02 / CHEB/ -1.493e-01 -1.120e-02 2.559e-02 -1.464e-03 / CHEB/ -5.308e-02 6.489e-03 5.474e-03 6.778e-03 /

2438.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	-0.4	+1.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-1.3	+0.4	+1.0

Chebyshev(coeffs=[[1.40494,-1.92327,-0.28376,-0.0367579],[5.61665,0.999039,0.0254093,0.0374044],[0.521562,0.260331,-0.0190263,-0.00973897],[-0.173264,0.0276297,0.0171863,-0.0265744],[-0.148234,-0.00607155,0.0270995,-0.00542256],[-0.0471305,0.00738954,0.00847397,0.0060434]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.74
S298 (cal/mol*K) = -35.55
G298 (kcal/mol) = 0.86

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(141); C2H3(100), C7H10(141); C5H7(210)+C2H3(100)(+M)=>C7H10(141)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.405e+00 -1.923e+00 -2.838e-01 -3.676e-02 / CHEB/ 5.617e+00 9.990e-01 2.541e-02 3.740e-02 / CHEB/ 5.216e-01 2.603e-01 -1.903e-02 -9.739e-03 / CHEB/ -1.733e-01 2.763e-02 1.719e-02 -2.657e-02 / CHEB/ -1.482e-01 -6.072e-03 2.710e-02 -5.423e-03 / CHEB/ -4.713e-02 7.390e-03 8.474e-03 6.043e-03 /

2439.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-3.0	-0.9	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.7	-1.4	-0.5

Chebyshev(coeffs=[[-3.45053,-1.62579,-0.241154,-0.0249623],[9.08758,0.874479,-0.0324078,0.0217947],[0.264403,0.267409,0.0186822,-0.0302278],[-0.157574,0.0125885,0.0389994,-0.0161207],[-0.112373,-0.0194225,0.020914,0.00566781],[-0.0604479,0.00550161,0.000597849,0.00684874]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.58
S298 (cal/mol*K) = -34.08
G298 (kcal/mol) = 16.74

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(142); C2H3(100), C7H10(142); C5H7(210)+C2H3(100)(+M)=>C7H10(142)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.451e+00 -1.626e+00 -2.412e-01 -2.496e-02 / CHEB/ 9.088e+00 8.745e-01 -3.241e-02 2.179e-02 / CHEB/ 2.644e-01 2.674e-01 1.868e-02 -3.023e-02 / CHEB/ -1.576e-01 1.259e-02 3.900e-02 -1.612e-02 / CHEB/ -1.124e-01 -1.942e-02 2.091e-02 5.668e-03 / CHEB/ -6.045e-02 5.502e-03 5.978e-04 6.849e-03 /

2440.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-1.3	+0.2	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-2.1	-0.4	+0.2

Chebyshev(coeffs=[[0.0379727,-2.00809,-0.368862,-0.0773543],[6.31413,1.12049,0.0998325,0.0701195],[0.351325,0.235584,-0.0281876,-0.0187041],[-0.189736,0.0146703,0.0150175,-0.0298826],[-0.134273,0.00130973,0.0322632,-0.000742141],[-0.0448466,0.0136622,0.0114524,0.00924196]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.65
S298 (cal/mol*K) = -33.02
G298 (kcal/mol) = 18.49

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(143); C2H3(100), C7H10(143); C5H7(210)+C2H3(100)(+M)=>C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.797e-02 -2.008e+00 -3.689e-01 -7.735e-02 / CHEB/ 6.314e+00 1.120e+00 9.983e-02 7.012e-02 / CHEB/ 3.513e-01 2.356e-01 -2.819e-02 -1.870e-02 / CHEB/ -1.897e-01 1.467e-02 1.502e-02 -2.988e-02 / CHEB/ -1.343e-01 1.310e-03 3.226e-02 -7.421e-04 / CHEB/ -4.485e-02 1.366e-02 1.145e-02 9.242e-03 /

2441.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-1.2	+0.6	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-2.0	+0.2	+1.2

Chebyshev(coeffs=[[0.81492,-1.85313,-0.269095,-0.0375529],[5.77222,1.11838,0.0509614,0.0354383],[0.773017,0.331619,-0.0016607,-0.0119475],[-0.00777948,0.0499143,0.0275561,-0.0270715],[-0.0615163,-0.00846556,0.0332572,-0.00416807],[-0.0204447,0.000178981,0.011069,0.00763667]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.45
S298 (cal/mol*K) = -29.90
G298 (kcal/mol) = 12.36

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(144); C2H3(100), C7H10(144); C5H7(210)+C2H3(100)(+M)=>C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.149e-01 -1.853e+00 -2.691e-01 -3.755e-02 / CHEB/ 5.772e+00 1.118e+00 5.096e-02 3.544e-02 / CHEB/ 7.730e-01 3.316e-01 -1.661e-03 -1.195e-02 / CHEB/ -7.779e-03 4.991e-02 2.756e-02 -2.707e-02 / CHEB/ -6.152e-02 -8.466e-03 3.326e-02 -4.168e-03 / CHEB/ -2.044e-02 1.790e-04 1.107e-02 7.637e-03 /

2442.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-1.8	-0.8	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-2.7	-1.5	-1.1

Chebyshev(coeffs=[[1.31237,-2.11482,-0.301682,-0.0286173],[3.69415,1.06578,0.0548112,0.0261834],[0.444272,0.266278,-0.0171116,0.00959091],[-0.198365,0.0443794,0.00212771,-0.0226981],[-0.132569,0.0131486,0.0260081,-0.0115042],[-0.0353584,0.0189992,0.0161672,0.00290055]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.92
S298 (cal/mol*K) = -41.31
G298 (kcal/mol) = 3.39

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(145); C2H3(100), C7H10(145); C5H7(210)+C2H3(100)(+M)=>C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.312e+00 -2.115e+00 -3.017e-01 -2.862e-02 / CHEB/ 3.694e+00 1.066e+00 5.481e-02 2.618e-02 / CHEB/ 4.443e-01 2.663e-01 -1.711e-02 9.591e-03 / CHEB/ -1.984e-01 4.438e-02 2.128e-03 -2.270e-02 / CHEB/ -1.326e-01 1.315e-02 2.601e-02 -1.150e-02 / CHEB/ -3.536e-02 1.900e-02 1.617e-02 2.901e-03 /

2443.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	-0.9	+0.4	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-1.8	-0.2	+0.4

Chebyshev(coeffs=[[1.83062,-2.04405,-0.293462,-0.0302671],[4.37811,1.11181,0.0593541,0.0277513],[0.609765,0.288125,-0.0111517,0.00517226],[-0.148382,0.0566491,0.0128367,-0.0247569],[-0.112884,0.0174851,0.0324488,-0.00962841],[-0.0274369,0.0206482,0.0171773,0.00473163]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.14
S298 (cal/mol*K) = -37.50
G298 (kcal/mol) = 0.04

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(146); C2H3(100), C7H10(146); C5H7(210)+C2H3(100)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.831e+00 -2.044e+00 -2.935e-01 -3.027e-02 / CHEB/ 4.378e+00 1.112e+00 5.935e-02 2.775e-02 / CHEB/ 6.098e-01 2.881e-01 -1.115e-02 5.172e-03 / CHEB/ -1.484e-01 5.665e-02 1.284e-02 -2.476e-02 / CHEB/ -1.129e-01 1.749e-02 3.245e-02 -9.628e-03 / CHEB/ -2.744e-02 2.065e-02 1.718e-02 4.732e-03 /

2444.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	-0.4	+0.2	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-1.4	-0.6	-0.4

Chebyshev(coeffs=[[3.26963,-2.21612,-0.311718,-0.025937],[2.70546,1.03818,0.0543613,0.0194113],[0.292746,0.260001,-0.0195134,0.0145833],[-0.219053,0.0334405,-0.0117075,-0.019098],[-0.140383,0.00768894,0.0160798,-0.0143537],[-0.0380568,0.0155176,0.0140395,-0.000540736]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.02
S298 (cal/mol*K) = -40.96
G298 (kcal/mol) = -6.81

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(147); C2H3(100), C7H10(147); C5H7(210)+C2H3(100)(+M)=>C7H10(147)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.270e+00 -2.216e+00 -3.117e-01 -2.594e-02 / CHEB/ 2.705e+00 1.038e+00 5.436e-02 1.941e-02 / CHEB/ 2.927e-01 2.600e-01 -1.951e-02 1.458e-02 / CHEB/ -2.191e-01 3.344e-02 -1.171e-02 -1.910e-02 / CHEB/ -1.404e-01 7.689e-03 1.608e-02 -1.435e-02 / CHEB/ -3.806e-02 1.552e-02 1.404e-02 -5.407e-04 /

2445.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+0.4	+0.6	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-2.8	-0.6	-0.2	-0.2

Chebyshev(coeffs=[[4.64306,-2.31091,-0.315372,-0.0228294],[1.76164,0.998732,0.0621377,0.0160027],[0.0810879,0.272535,-0.0105279,0.0204552],[-0.240434,0.044077,-0.0155493,-0.0118514],[-0.132386,0.0172762,0.0105687,-0.0134905],[-0.0271589,0.0239207,0.0144889,-0.00274814]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.52
S298 (cal/mol*K) = -48.18
G298 (kcal/mol) = -20.16

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(148); C2H3(100), C7H10(148); C5H7(210)+C2H3(100)(+M)=>C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.643e+00 -2.311e+00 -3.154e-01 -2.283e-02 / CHEB/ 1.762e+00 9.987e-01 6.214e-02 1.600e-02 / CHEB/ 8.109e-02 2.725e-01 -1.053e-02 2.046e-02 / CHEB/ -2.404e-01 4.408e-02 -1.555e-02 -1.185e-02 / CHEB/ -1.324e-01 1.728e-02 1.057e-02 -1.349e-02 / CHEB/ -2.716e-02 2.392e-02 1.449e-02 -2.748e-03 /

2446.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	-0.5	+0.6	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-5.0	-1.4	+0.1	+0.8

Chebyshev(coeffs=[[2.89666,-2.08162,-0.293484,-0.0279091],[3.5252,1.17712,0.074159,0.0211308],[0.638351,0.335551,-0.00630929,0.00759525],[-0.0490069,0.0700833,0.00442084,-0.0245227],[-0.0586438,0.01461,0.0270449,-0.0136109],[-0.0080833,0.00973289,0.01693,0.00195732]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.34
S298 (cal/mol*K) = -38.99
G298 (kcal/mol) = -0.72

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(149); C2H3(100), C7H10(149); C5H7(210)+C2H3(100)(+M)=>C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.897e+00 -2.082e+00 -2.935e-01 -2.791e-02 / CHEB/ 3.525e+00 1.177e+00 7.416e-02 2.113e-02 / CHEB/ 6.384e-01 3.356e-01 -6.309e-03 7.595e-03 / CHEB/ -4.901e-02 7.008e-02 4.421e-03 -2.452e-02 / CHEB/ -5.864e-02 1.461e-02 2.704e-02 -1.361e-02 / CHEB/ -8.083e-03 9.733e-03 1.693e-02 1.957e-03 /

2447.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.1	+2.6	+3.1	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+1.6	+2.3	+2.5

Chebyshev(coeffs=[[6.38302,-2.24164,-0.308079,-0.0216286],[2.50464,1.01738,0.0464336,0.0119437],[0.277037,0.270904,-0.0143109,0.0181684],[-0.206535,0.0334615,-0.0154719,-0.0173576],[-0.133537,0.00709265,0.0125391,-0.0150402],[-0.0360042,0.0156655,0.0136125,-0.00172092]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.03
S298 (cal/mol*K) = -46.50
G298 (kcal/mol) = -50.18

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(150); C2H3(100), C7H10(150); C5H7(210)+C2H3(100)(+M)=>C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.383e+00 -2.242e+00 -3.081e-01 -2.163e-02 / CHEB/ 2.505e+00 1.017e+00 4.643e-02 1.194e-02 / CHEB/ 2.770e-01 2.709e-01 -1.431e-02 1.817e-02 / CHEB/ -2.065e-01 3.346e-02 -1.547e-02 -1.736e-02 / CHEB/ -1.335e-01 7.093e-03 1.254e-02 -1.504e-02 / CHEB/ -3.600e-02 1.567e-02 1.361e-02 -1.721e-03 /

2448.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+2.0	+2.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+1.0	+2.1	+2.4

Chebyshev(coeffs=[[5.22323,-2.16846,-0.3088,-0.0277062],[3.37667,1.04699,0.0508475,0.0218084],[0.410255,0.254029,-0.0222706,0.0113317],[-0.203677,0.0312177,-0.00791925,-0.0219568],[-0.139099,0.00453285,0.0189504,-0.0137049],[-0.0401142,0.012729,0.0134374,0.000829486]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.20
S298 (cal/mol*K) = -31.90
G298 (kcal/mol) = -3.69

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(151); C2H3(100), C7H10(151); C5H7(210)+C2H3(100)(+M)=>C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.223e+00 -2.168e+00 -3.088e-01 -2.771e-02 / CHEB/ 3.377e+00 1.047e+00 5.085e-02 2.181e-02 / CHEB/ 4.103e-01 2.540e-01 -2.227e-02 1.133e-02 / CHEB/ -2.037e-01 3.122e-02 -7.919e-03 -2.196e-02 / CHEB/ -1.391e-01 4.533e-03 1.895e-02 -1.370e-02 / CHEB/ -4.011e-02 1.273e-02 1.344e-02 8.295e-04 /

2449.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+3.5	+5.1	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+2.7	+4.6	+5.2

Chebyshev(coeffs=[[4.78134,-1.84233,-0.27212,-0.0375353],[6.46881,0.968914,0.0108064,0.0389766],[0.473451,0.267571,-0.0121462,-0.0171904],[-0.180538,0.0243936,0.0243669,-0.0254166],[-0.143051,-0.0107433,0.0267727,-0.0022552],[-0.0476586,0.00559074,0.0062056,0.00691024]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.64
S298 (cal/mol*K) = -18.97
G298 (kcal/mol) = 11.29

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(152); C2H3(100), C7H10(152); C5H7(210)+C2H3(100)(+M)=>C7H10(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.781e+00 -1.842e+00 -2.721e-01 -3.754e-02 / CHEB/ 6.469e+00 9.689e-01 1.081e-02 3.898e-02 / CHEB/ 4.735e-01 2.676e-01 -1.215e-02 -1.719e-02 / CHEB/ -1.805e-01 2.439e-02 2.437e-02 -2.542e-02 / CHEB/ -1.431e-01 -1.074e-02 2.677e-02 -2.255e-03 / CHEB/ -4.766e-02 5.591e-03 6.206e-03 6.910e-03 /

2450.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+1.6	+3.2	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+0.8	+2.6	+3.3

Chebyshev(coeffs=[[2.90946,-1.85373,-0.273047,-0.0375122],[6.44044,0.950606,0.00882471,0.0400023],[0.439899,0.265521,-0.0134161,-0.0163454],[-0.183984,0.0244375,0.022356,-0.0253816],[-0.144269,-0.00947377,0.0260367,-0.00295868],[-0.0504191,0.00682619,0.00651467,0.00651494]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.64
S298 (cal/mol*K) = -18.97
G298 (kcal/mol) = 11.29

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(153); C2H3(100), C7H10(153); C5H7(210)+C2H3(100)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.909e+00 -1.854e+00 -2.730e-01 -3.751e-02 / CHEB/ 6.440e+00 9.506e-01 8.825e-03 4.000e-02 / CHEB/ 4.399e-01 2.655e-01 -1.342e-02 -1.635e-02 / CHEB/ -1.840e-01 2.444e-02 2.236e-02 -2.538e-02 / CHEB/ -1.443e-01 -9.474e-03 2.604e-02 -2.959e-03 / CHEB/ -5.042e-02 6.826e-03 6.515e-03 6.515e-03 /

2451.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+0.3	+1.6	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-0.5	+1.1	+1.5

Chebyshev(coeffs=[[1.95524,-1.8794,-0.276981,-0.0375577],[5.78647,0.962636,0.0141722,0.0397192],[0.369713,0.263657,-0.0158887,-0.0140823],[-0.211404,0.0254794,0.0201951,-0.0258547],[-0.152379,-0.00830375,0.0262149,-0.00393871],[-0.0526787,0.00707559,0.00719922,0.00629676]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.12
S298 (cal/mol*K) = -19.42
G298 (kcal/mol) = 8.90

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(154); C2H3(100), C7H10(154); C5H7(210)+C2H3(100)(+M)=>C7H10(154)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.955e+00 -1.879e+00 -2.770e-01 -3.756e-02 / CHEB/ 5.786e+00 9.626e-01 1.417e-02 3.972e-02 / CHEB/ 3.697e-01 2.637e-01 -1.589e-02 -1.408e-02 / CHEB/ -2.114e-01 2.548e-02 2.020e-02 -2.585e-02 / CHEB/ -1.524e-01 -8.304e-03 2.621e-02 -3.939e-03 / CHEB/ -5.268e-02 7.076e-03 7.199e-03 6.297e-03 /

2452.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-1.4	+0.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-2.2	-0.3	+0.3

Chebyshev(coeffs=[[-0.401315,-1.80764,-0.265852,-0.0366867],[6.8337,0.929788,-0.00108748,0.0393337],[0.386032,0.268017,-0.00830926,-0.0201353],[-0.18737,0.0224916,0.0261033,-0.0242588],[-0.1467,-0.0115576,0.0254552,-0.00118477],[-0.0523631,0.00639924,0.00526018,0.0068145]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.39
S298 (cal/mol*K) = -38.23
G298 (kcal/mol) = 19.78

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(155); C2H3(100), C7H10(155); C5H7(210)+C2H3(100)(+M)=>C7H10(155)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.013e-01 -1.808e+00 -2.659e-01 -3.669e-02 / CHEB/ 6.834e+00 9.298e-01 -1.087e-03 3.933e-02 / CHEB/ 3.860e-01 2.680e-01 -8.309e-03 -2.014e-02 / CHEB/ -1.874e-01 2.249e-02 2.610e-02 -2.426e-02 / CHEB/ -1.467e-01 -1.156e-02 2.546e-02 -1.185e-03 / CHEB/ -5.236e-02 6.399e-03 5.260e-03 6.814e-03 /

2453.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-6.0	-4.8	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-7.4	-5.9	-5.4

Chebyshev(coeffs=[[-4.62297,-2.83682,-0.418041,0.0285849],[5.80744,1.18678,-0.0822374,-0.048021],[0.248471,0.365259,0.0619433,-0.00792279],[-0.270666,0.108471,0.0521316,-0.0107346],[-0.138155,0.0536553,0.0324602,-0.00651135],[-0.0431963,0.033403,0.0114216,0.00215451]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.63
S298 (cal/mol*K) = -34.70
G298 (kcal/mol) = 16.97

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(44); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.623e+00 -2.837e+00 -4.180e-01 2.858e-02 / CHEB/ 5.807e+00 1.187e+00 -8.224e-02 -4.802e-02 / CHEB/ 2.485e-01 3.653e-01 6.194e-02 -7.923e-03 / CHEB/ -2.707e-01 1.085e-01 5.213e-02 -1.073e-02 / CHEB/ -1.382e-01 5.366e-02 3.246e-02 -6.511e-03 / CHEB/ -4.320e-02 3.340e-02 1.142e-02 2.155e-03 /

2454.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-7.6	-6.0	-5.7
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-8.9	-6.9	-6.2

Chebyshev(coeffs=[[-8.28031,-2.52647,-0.454784,0.0101436],[8.79397,1.18536,-0.0283113,-0.0452998],[-0.0113123,0.339999,0.0787611,-0.0119838],[-0.275961,0.0792855,0.0606939,-0.00772185],[-0.141453,0.0393005,0.0295683,0.000936938],[-0.0480669,0.0303531,0.0061961,0.00427357]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.68
S298 (cal/mol*K) = -26.57
G298 (kcal/mol) = 29.60

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(45); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.280e+00 -2.526e+00 -4.548e-01 1.014e-02 / CHEB/ 8.794e+00 1.185e+00 -2.831e-02 -4.530e-02 / CHEB/ -1.131e-02 3.400e-01 7.876e-02 -1.198e-02 / CHEB/ -2.760e-01 7.929e-02 6.069e-02 -7.722e-03 / CHEB/ -1.415e-01 3.930e-02 2.957e-02 9.369e-04 / CHEB/ -4.807e-02 3.035e-02 6.196e-03 4.274e-03 /

2455.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-7.5	-6.0	-5.7
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-8.8	-6.9	-6.3

Chebyshev(coeffs=[[-7.80376,-2.56902,-0.450574,0.0122092],[8.23243,1.18813,-0.0354914,-0.0450123],[-0.00694881,0.345015,0.0762187,-0.0115455],[-0.285062,0.0832006,0.0602301,-0.00866747],[-0.14481,0.0410421,0.0302878,-1.41094e-05],[-0.0487157,0.0306692,0.00679747,0.00425194]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.63
S298 (cal/mol*K) = -27.49
G298 (kcal/mol) = 27.82

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(46); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.804e+00 -2.569e+00 -4.506e-01 1.221e-02 / CHEB/ 8.232e+00 1.188e+00 -3.549e-02 -4.501e-02 / CHEB/ -6.949e-03 3.450e-01 7.622e-02 -1.155e-02 / CHEB/ -2.851e-01 8.320e-02 6.023e-02 -8.667e-03 / CHEB/ -1.448e-01 4.104e-02 3.029e-02 -1.411e-05 / CHEB/ -4.872e-02 3.067e-02 6.797e-03 4.252e-03 /

2456.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-11.2	-8.9	-8.2
log₁₀(k(10 bar)/[mole,m,s])	-21.9	-12.2	-9.6	-8.6

Chebyshev(coeffs=[[-14.1725,-2.17943,-0.480738,-0.00371624],[12.3297,1.15602,0.0342191,-0.0550472],[-0.189009,0.27984,0.0962464,-0.00878317],[-0.279643,0.0447944,0.0574253,0.00282578],[-0.13315,0.0280064,0.0220681,0.00598864],[-0.0460725,0.0281477,0.00302712,0.00269042]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.73
S298 (cal/mol*K) = -29.20
G298 (kcal/mol) = 44.43

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(47); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.417e+01 -2.179e+00 -4.807e-01 -3.716e-03 / CHEB/ 1.233e+01 1.156e+00 3.422e-02 -5.505e-02 / CHEB/ -1.890e-01 2.798e-01 9.625e-02 -8.783e-03 / CHEB/ -2.796e-01 4.479e-02 5.743e-02 2.826e-03 / CHEB/ -1.332e-01 2.801e-02 2.207e-02 5.989e-03 / CHEB/ -4.607e-02 2.815e-02 3.027e-03 2.690e-03 /

2457.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-4.5	-3.8	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-6.0	-5.0	-4.7

Chebyshev(coeffs=[[-1.89806,-2.99287,-0.394925,0.0381442],[3.88506,1.14295,-0.109273,-0.0473642],[0.178662,0.370809,0.0529991,-0.00864113],[-0.287888,0.123314,0.0441476,-0.00902705],[-0.142045,0.0641491,0.0303675,-0.00917679],[-0.0418457,0.0365211,0.0138919,-0.000651258]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -46.61
G298 (kcal/mol) = 3.00

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(48); C2H3(100), C7H10(48); C5H7(210)+C2H3(100)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.898e+00 -2.993e+00 -3.949e-01 3.814e-02 / CHEB/ 3.885e+00 1.143e+00 -1.093e-01 -4.736e-02 / CHEB/ 1.787e-01 3.708e-01 5.300e-02 -8.641e-03 / CHEB/ -2.879e-01 1.233e-01 4.415e-02 -9.027e-03 / CHEB/ -1.420e-01 6.415e-02 3.037e-02 -9.177e-03 / CHEB/ -4.185e-02 3.652e-02 1.389e-02 -6.513e-04 /

2458.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-5.3	-4.3	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-6.8	-5.3	-4.8

Chebyshev(coeffs=[[-3.80425,-2.86041,-0.414625,0.030113],[5.53195,1.18351,-0.0865644,-0.0482306],[0.250776,0.366416,0.0607838,-0.00784663],[-0.272738,0.110603,0.0510637,-0.0105507],[-0.138792,0.0550487,0.0323534,-0.00702664],[-0.0429501,0.0337948,0.0118317,0.00179127]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -46.61
G298 (kcal/mol) = 3.00

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(49); C2H3(100), C7H10(49); C5H7(210)+C2H3(100)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.804e+00 -2.860e+00 -4.146e-01 3.011e-02 / CHEB/ 5.532e+00 1.184e+00 -8.656e-02 -4.823e-02 / CHEB/ 2.508e-01 3.664e-01 6.078e-02 -7.847e-03 / CHEB/ -2.727e-01 1.106e-01 5.106e-02 -1.055e-02 / CHEB/ -1.388e-01 5.505e-02 3.235e-02 -7.027e-03 / CHEB/ -4.295e-02 3.379e-02 1.183e-02 1.791e-03 /

2459.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+0.1	+0.3	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-5.2	-1.2	-0.6	-0.9

Chebyshev(coeffs=[[3.13562,-3.01394,-0.285203,0.0297813],[2.96369,1.48887,-0.111064,-0.0289915],[0.126198,0.511828,0.0675609,-0.0104996],[-0.431019,0.0328365,0.0602935,0.00143742],[-0.265347,-0.0559918,0.0195937,0.00362359],[-0.0808546,-0.01472,-0.00690045,0.000355423]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.59
S298 (cal/mol*K) = -47.34
G298 (kcal/mol) = -1.49

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(50); C2H3(100), C7H10(50); C5H7(210)+C2H3(100)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.136e+00 -3.014e+00 -2.852e-01 2.978e-02 / CHEB/ 2.964e+00 1.489e+00 -1.111e-01 -2.899e-02 / CHEB/ 1.262e-01 5.118e-01 6.756e-02 -1.050e-02 / CHEB/ -4.310e-01 3.284e-02 6.029e-02 1.437e-03 / CHEB/ -2.653e-01 -5.599e-02 1.959e-02 3.624e-03 / CHEB/ -8.085e-02 -1.472e-02 -6.900e-03 3.554e-04 /

2460.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-4.8	-4.3	-4.5
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-6.4	-5.5	-5.3

Chebyshev(coeffs=[[-1.72577,-3.07556,-0.384341,0.0428094],[3.1918,1.08617,-0.118027,-0.0448971],[0.1136,0.37046,0.0450335,-0.00968558],[-0.273263,0.132396,0.0387637,-0.00822556],[-0.13429,0.0710013,0.0278334,-0.00971353],[-0.037966,0.0391932,0.0145736,-0.00229054]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.59
S298 (cal/mol*K) = -47.34
G298 (kcal/mol) = -1.49

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(51); C2H3(100), C7H10(51); C5H7(210)+C2H3(100)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.726e+00 -3.076e+00 -3.843e-01 4.281e-02 / CHEB/ 3.192e+00 1.086e+00 -1.180e-01 -4.490e-02 / CHEB/ 1.136e-01 3.705e-01 4.503e-02 -9.686e-03 / CHEB/ -2.733e-01 1.324e-01 3.876e-02 -8.226e-03 / CHEB/ -1.343e-01 7.100e-02 2.783e-02 -9.714e-03 / CHEB/ -3.797e-02 3.919e-02 1.457e-02 -2.291e-03 /

2461.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+0.2	+0.7	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-3.1	-0.7	+0.1	+0.2

Chebyshev(coeffs=[[4.37295,-1.73081,-0.133015,-0.00667346],[2.14103,0.572526,-0.110685,0.0220272],[0.262584,0.280505,-0.0513945,-0.0191459],[-0.182495,0.104187,0.017961,-0.0202275],[-0.123398,0.026729,0.0303229,-0.00796192],[-0.0329527,0.0131637,0.0131377,0.00132736]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.99
S298 (cal/mol*K) = -47.34
G298 (kcal/mol) = 0.11

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(52); C2H3(100), C7H10(52); C5H7(210)+C2H3(100)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.373e+00 -1.731e+00 -1.330e-01 -6.673e-03 / CHEB/ 2.141e+00 5.725e-01 -1.107e-01 2.203e-02 / CHEB/ 2.626e-01 2.805e-01 -5.139e-02 -1.915e-02 / CHEB/ -1.825e-01 1.042e-01 1.796e-02 -2.023e-02 / CHEB/ -1.234e-01 2.673e-02 3.032e-02 -7.962e-03 / CHEB/ -3.295e-02 1.316e-02 1.314e-02 1.327e-03 /

2462.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	-1.2	-0.6	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-2.6	-1.7	-1.5

Chebyshev(coeffs=[[1.6377,-3.00181,-0.36484,0.0455772],[3.62836,1.18985,-0.0841562,-0.036525],[0.195753,0.400044,0.0619847,-0.00392078],[-0.285468,0.107966,0.0366665,-0.00668593],[-0.163023,0.0281941,0.0139671,-0.01123],[-0.0585159,0.00713916,-0.000889353,-0.00593447]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.33
S298 (cal/mol*K) = -37.73
G298 (kcal/mol) = -1.09

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(53); C2H3(100), C7H10(53); C5H7(210)+C2H3(100)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.638e+00 -3.002e+00 -3.648e-01 4.558e-02 / CHEB/ 3.628e+00 1.190e+00 -8.416e-02 -3.653e-02 / CHEB/ 1.958e-01 4.000e-01 6.198e-02 -3.921e-03 / CHEB/ -2.855e-01 1.080e-01 3.667e-02 -6.686e-03 / CHEB/ -1.630e-01 2.819e-02 1.397e-02 -1.123e-02 / CHEB/ -5.852e-02 7.139e-03 -8.894e-04 -5.934e-03 /

2463.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-2.2	-1.3	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-3.5	-2.2	-1.8

Chebyshev(coeffs=[[0.51168,-2.5782,-0.171685,0.108382],[4.10126,1.06526,-0.167248,-0.0601956],[0.318072,0.405879,0.0394093,-0.0339306],[-0.237582,0.130131,0.038045,-0.0146023],[-0.132915,0.0477392,0.0184507,-0.0119347],[-0.0364345,0.033111,0.00893198,-0.00299433]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.91
S298 (cal/mol*K) = -41.84
G298 (kcal/mol) = 3.56

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(55); C2H3(100), C7H10(55); C5H7(210)+C2H3(100)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.117e-01 -2.578e+00 -1.717e-01 1.084e-01 / CHEB/ 4.101e+00 1.065e+00 -1.672e-01 -6.020e-02 / CHEB/ 3.181e-01 4.059e-01 3.941e-02 -3.393e-02 / CHEB/ -2.376e-01 1.301e-01 3.804e-02 -1.460e-02 / CHEB/ -1.329e-01 4.774e-02 1.845e-02 -1.193e-02 / CHEB/ -3.643e-02 3.311e-02 8.932e-03 -2.994e-03 /

2464.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-3.2	-1.8	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-4.5	-2.7	-2.2

Chebyshev(coeffs=[[-2.96273,-2.66689,-0.438482,0.017715],[7.40684,1.20385,-0.0519807,-0.0461691],[0.14502,0.358865,0.0714834,-0.0101166],[-0.287345,0.0937191,0.0587173,-0.0102651],[-0.165171,0.0454164,0.0317224,-0.00238312],[-0.0270803,0.03007,0.00837079,0.00403664]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.69
S298 (cal/mol*K) = -36.10
G298 (kcal/mol) = 5.07

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(56); C2H3(100), C7H10(56); C5H7(210)+C2H3(100)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.963e+00 -2.667e+00 -4.385e-01 1.772e-02 / CHEB/ 7.407e+00 1.204e+00 -5.198e-02 -4.617e-02 / CHEB/ 1.450e-01 3.589e-01 7.148e-02 -1.012e-02 / CHEB/ -2.873e-01 9.372e-02 5.872e-02 -1.027e-02 / CHEB/ -1.652e-01 4.542e-02 3.172e-02 -2.383e-03 / CHEB/ -2.708e-02 3.007e-02 8.371e-03 4.037e-03 /

2465.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+2.6	+3.5	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+1.7	+2.9	+3.3

Chebyshev(coeffs=[[5.66885,-1.65883,-0.137011,-0.00352703],[3.72441,0.64402,-0.120012,0.0141558],[0.386361,0.296337,-0.0350443,-0.0260415],[-0.186537,0.0886039,0.0332174,-0.0212174],[-0.12718,0.0119708,0.0330891,-0.00463996],[-0.0364506,0.00859787,0.00951713,0.00402216]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.38
S298 (cal/mol*K) = -10.16
G298 (kcal/mol) = 2.65

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C4H5(156); C2H3(100), C3H5(98); C5H7(210)+C2H3(100)(+M)=>C4H5(156)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.669e+00 -1.659e+00 -1.370e-01 -3.527e-03 / CHEB/ 3.724e+00 6.440e-01 -1.200e-01 1.416e-02 / CHEB/ 3.864e-01 2.963e-01 -3.504e-02 -2.604e-02 / CHEB/ -1.865e-01 8.860e-02 3.322e-02 -2.122e-02 / CHEB/ -1.272e-01 1.197e-02 3.309e-02 -4.640e-03 / CHEB/ -3.645e-02 8.598e-03 9.517e-03 4.022e-03 /

2466.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-1.9	-0.1	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-2.7	-0.6	+0.3

Chebyshev(coeffs=[[-1.16519,-1.54157,-0.147622,0.0050994],[7.41712,0.715887,-0.124064,-0.00476706],[0.372847,0.293249,0.000177839,-0.0339906],[-0.126902,0.0564445,0.0482965,-0.0170374],[-0.111542,-0.00484836,0.0284421,0.00290141],[-0.0346928,0.00552688,0.00258669,0.00634257]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.55
S298 (cal/mol*K) = -19.41
G298 (kcal/mol) = 22.33

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(157); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(157)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.165e+00 -1.542e+00 -1.476e-01 5.099e-03 / CHEB/ 7.417e+00 7.159e-01 -1.241e-01 -4.767e-03 / CHEB/ 3.728e-01 2.932e-01 1.778e-04 -3.399e-02 / CHEB/ -1.269e-01 5.644e-02 4.830e-02 -1.704e-02 / CHEB/ -1.115e-01 -4.848e-03 2.844e-02 2.901e-03 / CHEB/ -3.469e-02 5.527e-03 2.587e-03 6.343e-03 /

2467.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-2.2	-0.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-2.8	-0.4	+0.4

Chebyshev(coeffs=[[-3.87926,-1.34722,-0.186135,0.0179513],[10.8299,0.769918,-0.0793169,-0.0398147],[-0.123618,0.242327,0.0474332,-0.0346148],[-0.204781,0.0107362,0.0489908,-0.000638639],[-0.122935,-0.0204143,0.012996,0.0104709],[-0.0407592,0.00349165,-0.00425073,0.00382614]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.47
S298 (cal/mol*K) = 0.04
G298 (kcal/mol) = 33.46

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C5H7(158); C2H3(100), C2H3(100); C5H7(210)+C2H3(100)(+M)=>C5H7(158)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.879e+00 -1.347e+00 -1.861e-01 1.795e-02 / CHEB/ 1.083e+01 7.699e-01 -7.932e-02 -3.981e-02 / CHEB/ -1.236e-01 2.423e-01 4.743e-02 -3.461e-02 / CHEB/ -2.048e-01 1.074e-02 4.899e-02 -6.386e-04 / CHEB/ -1.229e-01 -2.041e-02 1.300e-02 1.047e-02 / CHEB/ -4.076e-02 3.492e-03 -4.251e-03 3.826e-03 /

2468.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-2.4	-0.4	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-3.1	-0.8	+0.1

Chebyshev(coeffs=[[-2.24459,-1.50158,-0.153033,0.00741932],[8.33596,0.739417,-0.118988,-0.011387],[0.336333,0.288358,0.0117103,-0.0357338],[-0.109769,0.0458005,0.051245,-0.0141967],[-0.08962,-0.0102547,0.0259458,0.00535292],[-0.0405581,0.00437376,0.000573936,0.00644775]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.62
S298 (cal/mol*K) = -18.65
G298 (kcal/mol) = 24.17

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(159); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(159)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.245e+00 -1.502e+00 -1.530e-01 7.419e-03 / CHEB/ 8.336e+00 7.394e-01 -1.190e-01 -1.139e-02 / CHEB/ 3.363e-01 2.884e-01 1.171e-02 -3.573e-02 / CHEB/ -1.098e-01 4.580e-02 5.125e-02 -1.420e-02 / CHEB/ -8.962e-02 -1.025e-02 2.595e-02 5.353e-03 / CHEB/ -4.056e-02 4.374e-03 5.739e-04 6.448e-03 /

2469.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-3.8	-1.6	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-4.4	-2.0	-1.0

Chebyshev(coeffs=[[-4.38349,-1.4454,-0.163506,0.0114361],[9.46773,0.759837,-0.107909,-0.0216193],[0.242562,0.275057,0.0269028,-0.0370116],[-0.117855,0.0322738,0.052442,-0.00947935],[-0.112809,-0.0151412,0.0211988,0.00817637],[-0.00771017,0.00266972,-0.00169809,0.00592264]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.35
S298 (cal/mol*K) = -19.53
G298 (kcal/mol) = 30.16

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(160); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(160)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.383e+00 -1.445e+00 -1.635e-01 1.144e-02 / CHEB/ 9.468e+00 7.598e-01 -1.079e-01 -2.162e-02 / CHEB/ 2.426e-01 2.751e-01 2.690e-02 -3.701e-02 / CHEB/ -1.179e-01 3.227e-02 5.244e-02 -9.479e-03 / CHEB/ -1.128e-01 -1.514e-02 2.120e-02 8.176e-03 / CHEB/ -7.710e-03 2.670e-03 -1.698e-03 5.923e-03 /

2470.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-7.2	-4.0	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-7.6	-4.2	-2.8

Chebyshev(coeffs=[[-11.245,-1.19117,-0.217389,0.0209835],[14.765,0.76374,-0.0232941,-0.0609879],[-0.0334585,0.191021,0.066766,-0.0229999],[-0.150719,-0.0171591,0.0376268,0.00995488],[-0.0943928,-0.0257924,0.00179748,0.00985298],[-0.0314267,0.00474467,-0.00588208,0.000480526]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.65
S298 (cal/mol*K) = -13.91
G298 (kcal/mol) = 49.79

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(161); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(161)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.125e+01 -1.191e+00 -2.174e-01 2.098e-02 / CHEB/ 1.476e+01 7.637e-01 -2.329e-02 -6.099e-02 / CHEB/ -3.346e-02 1.910e-01 6.677e-02 -2.300e-02 / CHEB/ -1.507e-01 -1.716e-02 3.763e-02 9.955e-03 / CHEB/ -9.439e-02 -2.579e-02 1.797e-03 9.853e-03 / CHEB/ -3.143e-02 4.745e-03 -5.882e-03 4.805e-04 /

2471.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-7.2	-4.0	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-7.6	-4.2	-2.8

H298 (kcal/mol) = 45.65
S298 (cal/mol*K) = -13.91
G298 (kcal/mol) = 49.79

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(162); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(162)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.125e+01 -1.191e+00 -2.174e-01 2.098e-02 / CHEB/ 1.476e+01 7.637e-01 -2.329e-02 -6.099e-02 / CHEB/ -3.346e-02 1.910e-01 6.677e-02 -2.300e-02 / CHEB/ -1.507e-01 -1.716e-02 3.763e-02 9.955e-03 / CHEB/ -9.439e-02 -2.579e-02 1.797e-03 9.853e-03 / CHEB/ -3.143e-02 4.745e-03 -5.882e-03 4.805e-04 /

2472.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-6.5	-3.5	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-17.5	-7.0	-3.7	-2.4

Chebyshev(coeffs=[[-9.91734,-1.24445,-0.207316,0.0208887],[13.8208,0.770237,-0.0431971,-0.0550724],[0.0061626,0.208783,0.0619858,-0.0277299],[-0.14716,-0.00863283,0.0421845,0.00699631],[-0.0964113,-0.0246798,0.00531889,0.0105531],[-0.0317823,0.00407706,-0.00566486,0.0015505]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.15
S298 (cal/mol*K) = -13.91
G298 (kcal/mol) = 46.29

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(163); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(163)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.917e+00 -1.244e+00 -2.073e-01 2.089e-02 / CHEB/ 1.382e+01 7.702e-01 -4.320e-02 -5.507e-02 / CHEB/ 6.163e-03 2.088e-01 6.199e-02 -2.773e-02 / CHEB/ -1.472e-01 -8.633e-03 4.218e-02 6.996e-03 / CHEB/ -9.641e-02 -2.468e-02 5.319e-03 1.055e-02 / CHEB/ -3.178e-02 4.077e-03 -5.665e-03 1.550e-03 /

2473.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.4	-5.9	-2.7	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-17.4	-6.3	-3.0	-1.6

Chebyshev(coeffs=[[-9.736,-1.21376,-0.213218,0.0210688],[14.4647,0.767017,-0.0317768,-0.0586735],[0.00333339,0.198551,0.0649596,-0.0250689],[-0.143156,-0.0136796,0.0396236,0.00879215],[-0.0932139,-0.0254051,0.00324307,0.0101982],[-0.0308257,0.00443634,-0.00582992,0.000918595]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.35
S298 (cal/mol*K) = -14.33
G298 (kcal/mol) = 48.62

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(164); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.736e+00 -1.214e+00 -2.132e-01 2.107e-02 / CHEB/ 1.446e+01 7.670e-01 -3.178e-02 -5.867e-02 / CHEB/ 3.333e-03 1.986e-01 6.496e-02 -2.507e-02 / CHEB/ -1.432e-01 -1.368e-02 3.962e-02 8.792e-03 / CHEB/ -9.321e-02 -2.541e-02 3.243e-03 1.020e-02 / CHEB/ -3.083e-02 4.436e-03 -5.830e-03 9.186e-04 /

2474.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+0.9	+1.9	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+0.1	+1.3	+1.7

Chebyshev(coeffs=[[4.17725,-1.67809,-0.136135,-0.00461262],[3.5394,0.627869,-0.117489,0.0166529],[0.438678,0.293531,-0.0401255,-0.0243796],[-0.168634,0.0934481,0.0295178,-0.0212149],[-0.120831,0.0156261,0.0328881,-0.00570001],[-0.0335775,0.0095027,0.010642,0.00334717]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.93
S298 (cal/mol*K) = -32.69
G298 (kcal/mol) = 0.81

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(165); C2H3(100), C7H10(165); C5H7(210)+C2H3(100)(+M)=>C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.177e+00 -1.678e+00 -1.361e-01 -4.613e-03 / CHEB/ 3.539e+00 6.279e-01 -1.175e-01 1.665e-02 / CHEB/ 4.387e-01 2.935e-01 -4.013e-02 -2.438e-02 / CHEB/ -1.686e-01 9.345e-02 2.952e-02 -2.121e-02 / CHEB/ -1.208e-01 1.563e-02 3.289e-02 -5.700e-03 / CHEB/ -3.358e-02 9.503e-03 1.064e-02 3.347e-03 /

2475.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+1.0	+2.0	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+0.1	+1.4	+1.8

Chebyshev(coeffs=[[4.19239,-1.67735,-0.13617,-0.00457429],[3.67343,0.628534,-0.117587,0.0165621],[0.465124,0.293656,-0.0399384,-0.0244471],[-0.161098,0.093269,0.0296678,-0.0212182],[-0.118337,0.0154795,0.0329024,-0.00566094],[-0.0327227,0.0094635,0.0105998,0.00337434]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.53
S298 (cal/mol*K) = -32.04
G298 (kcal/mol) = 1.02

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(166); C2H3(100), C7H10(166); C5H7(210)+C2H3(100)(+M)=>C7H10(166)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.192e+00 -1.677e+00 -1.362e-01 -4.574e-03 / CHEB/ 3.673e+00 6.285e-01 -1.176e-01 1.656e-02 / CHEB/ 4.651e-01 2.937e-01 -3.994e-02 -2.445e-02 / CHEB/ -1.611e-01 9.327e-02 2.967e-02 -2.122e-02 / CHEB/ -1.183e-01 1.548e-02 3.290e-02 -5.661e-03 / CHEB/ -3.272e-02 9.464e-03 1.060e-02 3.374e-03 /

2476.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-1.9	-0.6	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-2.7	-1.2	-0.5

Chebyshev(coeffs=[[0.611448,-1.62924,-0.137948,-0.00234528],[4.8306,0.671239,-0.122143,0.0101565],[0.42127,0.303365,-0.0272457,-0.028207],[-0.133946,0.08247,0.0383676,-0.0209684],[-0.0455095,0.00593324,0.0335547,-0.00303099],[-0.016434,0.00607792,0.00811353,0.0049677]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.92
S298 (cal/mol*K) = -37.76
G298 (kcal/mol) = -8.67

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(167); C2H3(100), C7H10(167); C5H7(210)+C2H3(100)(+M)=>C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.114e-01 -1.629e+00 -1.379e-01 -2.345e-03 / CHEB/ 4.831e+00 6.712e-01 -1.221e-01 1.016e-02 / CHEB/ 4.213e-01 3.034e-01 -2.725e-02 -2.821e-02 / CHEB/ -1.339e-01 8.247e-02 3.837e-02 -2.097e-02 / CHEB/ -4.551e-02 5.933e-03 3.355e-02 -3.031e-03 / CHEB/ -1.643e-02 6.078e-03 8.114e-03 4.968e-03 /

2477.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	-0.2	+1.2	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-5.2	-1.0	+0.7	+1.6

Chebyshev(coeffs=[[2.27846,-1.61017,-0.139328,-0.000777475],[5.17212,0.681867,-0.124305,0.00708191],[0.285004,0.302064,-0.0213522,-0.0294972],[-0.0619516,0.0754092,0.0412513,-0.0204205],[0.0803043,0.00232913,0.0329816,-0.0017243],[-0.0116469,0.00617883,0.00680775,0.00541586]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.53
S298 (cal/mol*K) = -32.04
G298 (kcal/mol) = 1.02

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(168); C2H3(100), C7H10(168); C5H7(210)+C2H3(100)(+M)=>C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.278e+00 -1.610e+00 -1.393e-01 -7.775e-04 / CHEB/ 5.172e+00 6.819e-01 -1.243e-01 7.082e-03 / CHEB/ 2.850e-01 3.021e-01 -2.135e-02 -2.950e-02 / CHEB/ -6.195e-02 7.541e-02 4.125e-02 -2.042e-02 / CHEB/ 8.030e-02 2.329e-03 3.298e-02 -1.724e-03 / CHEB/ -1.165e-02 6.179e-03 6.808e-03 5.416e-03 /

2478.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-0.6	+0.6	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-1.5	+0.0	+0.6

Chebyshev(coeffs=[[2.2063,-1.65618,-0.136788,-0.00416002],[4.26474,0.652265,-0.118585,0.0142019],[0.556075,0.300734,-0.034825,-0.0262124],[-0.135642,0.0901347,0.0339287,-0.0212816],[-0.108294,0.0115341,0.0337285,-0.00462473],[-0.0338473,0.00788394,0.00968271,0.00410967]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.71
S298 (cal/mol*K) = -41.72
G298 (kcal/mol) = -4.28

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(169); C2H3(100), C7H10(169); C5H7(210)+C2H3(100)(+M)=>C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.206e+00 -1.656e+00 -1.368e-01 -4.160e-03 / CHEB/ 4.265e+00 6.523e-01 -1.186e-01 1.420e-02 / CHEB/ 5.561e-01 3.007e-01 -3.482e-02 -2.621e-02 / CHEB/ -1.356e-01 9.013e-02 3.393e-02 -2.128e-02 / CHEB/ -1.083e-01 1.153e-02 3.373e-02 -4.625e-03 / CHEB/ -3.385e-02 7.884e-03 9.683e-03 4.110e-03 /

2479.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+0.1	+1.5	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-0.7	+1.0	+1.6

Chebyshev(coeffs=[[2.1645,-1.61628,-0.139281,-0.000609748],[5.40741,0.673746,-0.12455,0.0077794],[0.484445,0.299371,-0.0226055,-0.0292286],[-0.14027,0.0770293,0.0400764,-0.0205782],[-0.115126,0.00491708,0.032418,-0.00201886],[-0.0333169,0.00715672,0.00692482,0.0052588]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.93
S298 (cal/mol*K) = -31.31
G298 (kcal/mol) = 0.40

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(170); C2H3(100), C7H10(170); C5H7(210)+C2H3(100)(+M)=>C7H10(170)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.164e+00 -1.616e+00 -1.393e-01 -6.097e-04 / CHEB/ 5.407e+00 6.737e-01 -1.246e-01 7.779e-03 / CHEB/ 4.844e-01 2.994e-01 -2.261e-02 -2.923e-02 / CHEB/ -1.403e-01 7.703e-02 4.008e-02 -2.058e-02 / CHEB/ -1.151e-01 4.917e-03 3.242e-02 -2.019e-03 / CHEB/ -3.332e-02 7.157e-03 6.925e-03 5.259e-03 /

2480.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	-0.1	+0.5	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-3.5	-1.0	-0.2	+0.0

Chebyshev(coeffs=[[4.01933,-1.74506,-0.131979,-0.00705785],[2.2363,0.555163,-0.108843,0.0231838],[0.293157,0.275273,-0.0537826,-0.0176655],[-0.160422,0.106203,0.0147349,-0.0196999],[-0.113875,0.0297752,0.0291183,-0.00836047],[-0.0291576,0.0144485,0.0135526,0.000793237]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.36
S298 (cal/mol*K) = -40.01
G298 (kcal/mol) = -7.44

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(171); C2H3(100), C7H10(171); C5H7(210)+C2H3(100)(+M)=>C7H10(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.019e+00 -1.745e+00 -1.320e-01 -7.058e-03 / CHEB/ 2.236e+00 5.552e-01 -1.088e-01 2.318e-02 / CHEB/ 2.932e-01 2.753e-01 -5.378e-02 -1.767e-02 / CHEB/ -1.604e-01 1.062e-01 1.473e-02 -1.970e-02 / CHEB/ -1.139e-01 2.978e-02 2.912e-02 -8.360e-03 / CHEB/ -2.916e-02 1.445e-02 1.355e-02 7.932e-04 /

2481.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-6.0	-3.9	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-6.7	-4.3	-3.4

Chebyshev(coeffs=[[-6.06524,-1.48067,-0.157114,0.00903351],[8.6223,0.746863,-0.115681,-0.0151737],[0.392492,0.282092,0.0177423,-0.0364602],[-0.075209,0.0398203,0.0519098,-0.0124505],[-0.150311,-0.0117705,0.023928,0.00661072],[-0.0174252,0.00413126,-0.000317057,0.00622146]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.39
S298 (cal/mol*K) = -36.22
G298 (kcal/mol) = 23.18

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(172); C2H3(100), C7H10(172); C5H7(210)+C2H3(100)(+M)=>C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.065e+00 -1.481e+00 -1.571e-01 9.034e-03 / CHEB/ 8.622e+00 7.469e-01 -1.157e-01 -1.517e-02 / CHEB/ 3.925e-01 2.821e-01 1.774e-02 -3.646e-02 / CHEB/ -7.521e-02 3.982e-02 5.191e-02 -1.245e-02 / CHEB/ -1.503e-01 -1.177e-02 2.393e-02 6.611e-03 / CHEB/ -1.743e-02 4.131e-03 -3.171e-04 6.221e-03 /

2482.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-4.5	-2.6	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-5.2	-3.1	-2.2

Chebyshev(coeffs=[[-4.00709,-1.52317,-0.150542,0.00652297],[7.8336,0.724475,-0.122146,-0.00803221],[0.330453,0.289963,0.00561721,-0.0348941],[-0.129698,0.0515726,0.0495329,-0.0157588],[-0.111615,-0.00681925,0.0271213,0.00403834],[-0.0352185,0.00520171,0.00164969,0.00637917]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.57
S298 (cal/mol*K) = -34.74
G298 (kcal/mol) = 13.92

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(173); C2H3(100), C7H10(173); C5H7(210)+C2H3(100)(+M)=>C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.007e+00 -1.523e+00 -1.505e-01 6.523e-03 / CHEB/ 7.834e+00 7.245e-01 -1.221e-01 -8.032e-03 / CHEB/ 3.305e-01 2.900e-01 5.617e-03 -3.489e-02 / CHEB/ -1.297e-01 5.157e-02 4.953e-02 -1.576e-02 / CHEB/ -1.116e-01 -6.819e-03 2.712e-02 4.038e-03 / CHEB/ -3.522e-02 5.202e-03 1.650e-03 6.379e-03 /

2483.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-2.2	-1.2	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-3.1	-1.8	-1.3

Chebyshev(coeffs=[[0.860145,-1.67374,-0.136341,-0.00438369],[3.82358,0.631719,-0.118063,0.0161146],[0.482461,0.29424,-0.039018,-0.0247716],[-0.157023,0.0923856,0.0303899,-0.0212305],[-0.117006,0.0147716,0.0329644,-0.00546883],[-0.0323852,0.00928019,0.0103927,0.00350516]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.56
S298 (cal/mol*K) = -40.13
G298 (kcal/mol) = 0.40

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(174); C2H3(100), C7H10(174); C5H7(210)+C2H3(100)(+M)=>C7H10(174)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.601e-01 -1.674e+00 -1.363e-01 -4.384e-03 / CHEB/ 3.824e+00 6.317e-01 -1.181e-01 1.611e-02 / CHEB/ 4.825e-01 2.942e-01 -3.902e-02 -2.477e-02 / CHEB/ -1.570e-01 9.239e-02 3.039e-02 -2.123e-02 / CHEB/ -1.170e-01 1.477e-02 3.296e-02 -5.469e-03 / CHEB/ -3.239e-02 9.280e-03 1.039e-02 3.505e-03 /

2484.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-4.9	-3.0	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-5.6	-3.5	-2.6

Chebyshev(coeffs=[[-4.52051,-1.51104,-0.152612,0.00745445],[7.98166,0.729715,-0.120534,-0.010214],[0.276297,0.287518,0.00912059,-0.0354053],[-0.139742,0.0484248,0.0501823,-0.0148504],[-0.114244,-0.00804269,0.0262088,0.00475039],[-0.0364325,0.00500073,0.00106796,0.00635802]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.74
S298 (cal/mol*K) = -34.51
G298 (kcal/mol) = 20.02

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(175); C2H3(100), C7H10(175); C5H7(210)+C2H3(100)(+M)=>C7H10(175)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.521e+00 -1.511e+00 -1.526e-01 7.454e-03 / CHEB/ 7.982e+00 7.297e-01 -1.205e-01 -1.021e-02 / CHEB/ 2.763e-01 2.875e-01 9.121e-03 -3.541e-02 / CHEB/ -1.397e-01 4.842e-02 5.018e-02 -1.485e-02 / CHEB/ -1.142e-01 -8.043e-03 2.621e-02 4.750e-03 / CHEB/ -3.643e-02 5.001e-03 1.068e-03 6.358e-03 /

2485.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-4.0	-2.4	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-4.8	-2.9	-2.2

Chebyshev(coeffs=[[-2.74998,-1.56772,-0.144012,0.00307395],[6.6093,0.702407,-0.125607,-0.000237574],[0.389441,0.296867,-0.00773887,-0.0324824],[-0.137284,0.0635437,0.0459997,-0.0186066],[-0.115638,-0.00177449,0.0301358,0.00120133],[-0.0352556,0.00602841,0.00402439,0.00613628]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.57
S298 (cal/mol*K) = -34.74
G298 (kcal/mol) = 13.92

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(176); C2H3(100), C7H10(176); C5H7(210)+C2H3(100)(+M)=>C7H10(176)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.750e+00 -1.568e+00 -1.440e-01 3.074e-03 / CHEB/ 6.609e+00 7.024e-01 -1.256e-01 -2.376e-04 / CHEB/ 3.894e-01 2.969e-01 -7.739e-03 -3.248e-02 / CHEB/ -1.373e-01 6.354e-02 4.600e-02 -1.861e-02 / CHEB/ -1.156e-01 -1.774e-03 3.014e-02 1.201e-03 / CHEB/ -3.526e-02 6.028e-03 4.024e-03 6.136e-03 /

2486.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-5.8	-3.7	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-6.5	-4.1	-3.2

Chebyshev(coeffs=[[-5.91301,-1.48838,-0.156741,0.00916812],[8.75974,0.738636,-0.11684,-0.0143424],[0.28988,0.282447,0.0154697,-0.0361661],[-0.125764,0.0426812,0.0510638,-0.0130367],[-0.108082,-0.0101895,0.0244376,0.00598949],[-0.0346753,0.00464485,5.87465e-05,0.00623054]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.39
S298 (cal/mol*K) = -36.22
G298 (kcal/mol) = 23.18

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(177); C2H3(100), C7H10(177); C5H7(210)+C2H3(100)(+M)=>C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.913e+00 -1.488e+00 -1.567e-01 9.168e-03 / CHEB/ 8.760e+00 7.386e-01 -1.168e-01 -1.434e-02 / CHEB/ 2.899e-01 2.824e-01 1.547e-02 -3.617e-02 / CHEB/ -1.258e-01 4.268e-02 5.106e-02 -1.304e-02 / CHEB/ -1.081e-01 -1.019e-02 2.444e-02 5.989e-03 / CHEB/ -3.468e-02 4.645e-03 5.875e-05 6.231e-03 /

2487.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-3.7	-2.0	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-4.5	-2.5	-1.7

Chebyshev(coeffs=[[-2.63139,-1.56009,-0.144994,0.00366454],[6.90469,0.706486,-0.125306,-0.00154573],[0.397396,0.295955,-0.00541224,-0.0329453],[-0.130288,0.0614537,0.0467356,-0.0181821],[-0.113227,-0.00270637,0.0296682,0.00170472],[-0.0346762,0.0058769,0.00359314,0.00621578]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.77
S298 (cal/mol*K) = -35.16
G298 (kcal/mol) = 16.25

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(178); C2H3(100), C7H10(178); C5H7(210)+C2H3(100)(+M)=>C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.631e+00 -1.560e+00 -1.450e-01 3.665e-03 / CHEB/ 6.905e+00 7.065e-01 -1.253e-01 -1.546e-03 / CHEB/ 3.974e-01 2.960e-01 -5.412e-03 -3.295e-02 / CHEB/ -1.303e-01 6.145e-02 4.674e-02 -1.818e-02 / CHEB/ -1.132e-01 -2.706e-03 2.967e-02 1.705e-03 / CHEB/ -3.468e-02 5.877e-03 3.593e-03 6.216e-03 /

2488.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-4.9	-3.0	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-5.6	-3.5	-2.6

H298 (kcal/mol) = 9.74
S298 (cal/mol*K) = -34.51
G298 (kcal/mol) = 20.02

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(179); C2H3(100), C7H10(179); C5H7(210)+C2H3(100)(+M)=>C7H10(179)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.521e+00 -1.511e+00 -1.526e-01 7.454e-03 / CHEB/ 7.982e+00 7.297e-01 -1.205e-01 -1.021e-02 / CHEB/ 2.763e-01 2.875e-01 9.121e-03 -3.541e-02 / CHEB/ -1.397e-01 4.842e-02 5.018e-02 -1.485e-02 / CHEB/ -1.142e-01 -8.043e-03 2.621e-02 4.750e-03 / CHEB/ -3.643e-02 5.001e-03 1.068e-03 6.358e-03 /

2489.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-3.8	-2.2	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-4.6	-2.7	-1.9

Chebyshev(coeffs=[[-2.38931,-1.57877,-0.142701,0.00222193],[6.40939,0.69629,-0.125819,0.00163489],[0.428423,0.29796,-0.0111241,-0.0317829],[-0.132747,0.066592,0.0448376,-0.0191693],[-0.114132,-0.000370291,0.030768,0.000466008],[-0.0343143,0.00625691,0.00466391,0.00599271]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.77
S298 (cal/mol*K) = -35.16
G298 (kcal/mol) = 16.25

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(180); C2H3(100), C7H10(180); C5H7(210)+C2H3(100)(+M)=>C7H10(180)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.389e+00 -1.579e+00 -1.427e-01 2.222e-03 / CHEB/ 6.409e+00 6.963e-01 -1.258e-01 1.635e-03 / CHEB/ 4.284e-01 2.980e-01 -1.112e-02 -3.178e-02 / CHEB/ -1.327e-01 6.659e-02 4.484e-02 -1.917e-02 / CHEB/ -1.141e-01 -3.703e-04 3.077e-02 4.660e-04 / CHEB/ -3.431e-02 6.257e-03 4.664e-03 5.993e-03 /

2490.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+0.2	+1.6	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-5.4	-0.6	+1.1	+1.7

Chebyshev(coeffs=[[2.43333,-1.62381,-0.138781,-0.00115893],[5.20596,0.66888,-0.123945,0.00896654],[0.493062,0.299189,-0.0248781,-0.0286919],[-0.142172,0.0791187,0.038977,-0.0207634],[-0.115189,0.0060787,0.0326393,-0.00250379],[-0.0331089,0.00736985,0.00738662,0.00506847]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.63
S298 (cal/mol*K) = -28.45
G298 (kcal/mol) = 12.11

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(181); C2H3(100), C7H10(181); C5H7(210)+C2H3(100)(+M)=>C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.433e+00 -1.624e+00 -1.388e-01 -1.159e-03 / CHEB/ 5.206e+00 6.689e-01 -1.239e-01 8.967e-03 / CHEB/ 4.931e-01 2.992e-01 -2.488e-02 -2.869e-02 / CHEB/ -1.422e-01 7.912e-02 3.898e-02 -2.076e-02 / CHEB/ -1.152e-01 6.079e-03 3.264e-02 -2.504e-03 / CHEB/ -3.311e-02 7.370e-03 7.387e-03 5.068e-03 /

2491.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	+0.9	+3.1	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-7.7	+0.2	+2.7	+3.7

Chebyshev(coeffs=[[0.214066,-1.45415,-0.162745,0.0112339],[9.5447,0.753282,-0.110012,-0.0202334],[0.327097,0.274262,0.0248116,-0.0368713],[-0.11283,0.0338389,0.0520397,-0.0101098],[-0.134676,-0.0131499,0.0215962,0.0077188],[-0.0443263,0.0043371,-0.0013771,0.00586193]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.48
S298 (cal/mol*K) = -20.80
G298 (kcal/mol) = 10.67

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(182); C2H3(100), C7H10(182); C5H7(210)+C2H3(100)(+M)=>C7H10(182)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.141e-01 -1.454e+00 -1.627e-01 1.123e-02 / CHEB/ 9.545e+00 7.533e-01 -1.100e-01 -2.023e-02 / CHEB/ 3.271e-01 2.743e-01 2.481e-02 -3.687e-02 / CHEB/ -1.128e-01 3.384e-02 5.204e-02 -1.011e-02 / CHEB/ -1.347e-01 -1.315e-02 2.160e-02 7.719e-03 / CHEB/ -4.433e-02 4.337e-03 -1.377e-03 5.862e-03 /

2492.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	+0.9	+3.1	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-7.7	+0.2	+2.7	+3.7

H298 (kcal/mol) = 4.48
S298 (cal/mol*K) = -22.18
G298 (kcal/mol) = 11.08

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(183); C2H3(100), C7H10(183); C5H7(210)+C2H3(100)(+M)=>C7H10(183)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.141e-01 -1.454e+00 -1.627e-01 1.123e-02 / CHEB/ 9.545e+00 7.533e-01 -1.100e-01 -2.023e-02 / CHEB/ 3.271e-01 2.743e-01 2.481e-02 -3.687e-02 / CHEB/ -1.128e-01 3.384e-02 5.204e-02 -1.011e-02 / CHEB/ -1.347e-01 -1.315e-02 2.160e-02 7.719e-03 / CHEB/ -4.433e-02 4.337e-03 -1.377e-03 5.862e-03 /

2493.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	+1.0	+3.2	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-7.7	+0.3	+2.8	+3.9

Chebyshev(coeffs=[[0.131252,-1.49777,-0.162878,0.0156885],[9.79487,0.797963,-0.131945,-0.0310324],[0.285652,0.263263,0.0336706,-0.0393694],[-0.114636,0.0413793,0.0555036,-0.00922211],[-0.0992732,-0.013422,0.0244502,0.00986124],[-0.0325812,0.00527502,-0.000892019,0.00662002]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.60
S298 (cal/mol*K) = -21.18
G298 (kcal/mol) = 11.91

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(184); C2H3(100), C7H10(184); C5H7(210)+C2H3(100)(+M)=>C7H10(184)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.313e-01 -1.498e+00 -1.629e-01 1.569e-02 / CHEB/ 9.795e+00 7.980e-01 -1.319e-01 -3.103e-02 / CHEB/ 2.857e-01 2.633e-01 3.367e-02 -3.937e-02 / CHEB/ -1.146e-01 4.138e-02 5.550e-02 -9.222e-03 / CHEB/ -9.927e-02 -1.342e-02 2.445e-02 9.861e-03 / CHEB/ -3.258e-02 5.275e-03 -8.920e-04 6.620e-03 /

2494.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-3.7	-1.8	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-4.4	-2.2	-1.4

Chebyshev(coeffs=[[-3.44193,-1.50935,-0.15291,0.00758439],[8.14016,0.730423,-0.120287,-0.0105217],[0.299241,0.287161,0.00960558,-0.0354712],[-0.13218,0.0479881,0.0502631,-0.0147194],[-0.111636,-0.00821033,0.0260789,0.00484766],[-0.0355455,0.00497179,0.000989059,0.0063523]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.87
S298 (cal/mol*K) = -39.99
G298 (kcal/mol) = 22.78

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(185); C2H3(100), C7H10(185); C5H7(210)+C2H3(100)(+M)=>C7H10(185)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.442e+00 -1.509e+00 -1.529e-01 7.584e-03 / CHEB/ 8.140e+00 7.304e-01 -1.203e-01 -1.052e-02 / CHEB/ 2.992e-01 2.872e-01 9.606e-03 -3.547e-02 / CHEB/ -1.322e-01 4.799e-02 5.026e-02 -1.472e-02 / CHEB/ -1.116e-01 -8.210e-03 2.608e-02 4.848e-03 / CHEB/ -3.555e-02 4.972e-03 9.891e-04 6.352e-03 /

2495.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	-0.2	+0.4	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-3.6	-1.1	-0.3	-0.1

Chebyshev(coeffs=[[3.88772,-1.72314,-0.133541,-0.00644294],[2.25797,0.581484,-0.111666,0.0213602],[0.279255,0.282989,-0.0499983,-0.0199388],[-0.184566,0.10292,0.0196997,-0.0204662],[-0.124926,0.0250756,0.0308864,-0.00770585],[-0.0336882,0.0125205,0.0128594,0.00162179]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.26
S298 (cal/mol*K) = -49.20
G298 (kcal/mol) = 2.40

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(186); C2H3(100), C7H10(186); C5H7(210)+C2H3(100)(+M)=>C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.888e+00 -1.723e+00 -1.335e-01 -6.443e-03 / CHEB/ 2.258e+00 5.815e-01 -1.117e-01 2.136e-02 / CHEB/ 2.793e-01 2.830e-01 -5.000e-02 -1.994e-02 / CHEB/ -1.846e-01 1.029e-01 1.970e-02 -2.047e-02 / CHEB/ -1.249e-01 2.508e-02 3.089e-02 -7.706e-03 / CHEB/ -3.369e-02 1.252e-02 1.286e-02 1.622e-03 /

2496.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-3.1	-1.5	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-3.8	-2.0	-1.5

Chebyshev(coeffs=[[-3.43784,-1.69712,-0.31663,-0.0545374],[8.61854,0.960563,0.0260669,0.037996],[-0.1371,0.227634,0.0100722,-0.0365],[-0.269404,-0.00431391,0.0320112,-0.0168452],[-0.165359,-0.0147092,0.0219469,0.00891327],[-0.0621891,0.0100771,0.00294143,0.00836928]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.51
S298 (cal/mol*K) = -8.81
G298 (kcal/mol) = 28.14

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C4H5(156); C2H3(100), C3H5(129); C5H7(210)+C2H3(100)(+M)=>C4H5(156)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.438e+00 -1.697e+00 -3.166e-01 -5.454e-02 / CHEB/ 8.619e+00 9.606e-01 2.607e-02 3.800e-02 / CHEB/ -1.371e-01 2.276e-01 1.007e-02 -3.650e-02 / CHEB/ -2.694e-01 -4.314e-03 3.201e-02 -1.685e-02 / CHEB/ -1.654e-01 -1.471e-02 2.195e-02 8.913e-03 / CHEB/ -6.219e-02 1.008e-02 2.941e-03 8.369e-03 /

2497.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-6.5	-4.1	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-7.1	-4.5	-3.6

Chebyshev(coeffs=[[-8.87166,-1.52807,-0.304973,-0.0355438],[11.8066,0.909119,0.018766,0.00583179],[-0.06014,0.205153,0.0344608,-0.03526],[-0.218824,-0.017261,0.0340584,-0.00553727],[-0.142638,-0.0199501,0.0138594,0.0117158],[-0.0550525,0.00968763,-0.000331887,0.00579116]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.33
S298 (cal/mol*K) = -18.45
G298 (kcal/mol) = 40.83

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(187); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.872e+00 -1.528e+00 -3.050e-01 -3.554e-02 / CHEB/ 1.181e+01 9.091e-01 1.877e-02 5.832e-03 / CHEB/ -6.014e-02 2.052e-01 3.446e-02 -3.526e-02 / CHEB/ -2.188e-01 -1.726e-02 3.406e-02 -5.537e-03 / CHEB/ -1.426e-01 -1.995e-02 1.386e-02 1.172e-02 / CHEB/ -5.505e-02 9.688e-03 -3.319e-04 5.791e-03 /

2498.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-4.5	-2.5	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-5.2	-3.0	-2.3

Chebyshev(coeffs=[[-4.79265,-1.78739,-0.329132,-0.0643625],[8.79658,0.99526,0.0408804,0.0525058],[0.212748,0.232966,-0.00345716,-0.034058],[-0.185083,0.000726221,0.0280713,-0.0220594],[-0.13894,-0.0112672,0.0255414,0.00645245],[-0.05177,0.0108109,0.00514281,0.00916669]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.23
S298 (cal/mol*K) = -26.01
G298 (kcal/mol) = 29.98

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(188); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(188)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.793e+00 -1.787e+00 -3.291e-01 -6.436e-02 / CHEB/ 8.797e+00 9.953e-01 4.088e-02 5.251e-02 / CHEB/ 2.127e-01 2.330e-01 -3.457e-03 -3.406e-02 / CHEB/ -1.851e-01 7.262e-04 2.807e-02 -2.206e-02 / CHEB/ -1.389e-01 -1.127e-02 2.554e-02 6.452e-03 / CHEB/ -5.177e-02 1.081e-02 5.143e-03 9.167e-03 /

2499.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.2	-7.8	-4.9	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-19.2	-8.3	-5.2	-4.0

Chebyshev(coeffs=[[-11.7488,-1.35494,-0.307018,-0.0223912],[14.3403,0.861388,0.0394872,-0.0232746],[-0.158747,0.16924,0.0527462,-0.0262193],[-0.225679,-0.0330015,0.0285106,0.00481701],[-0.137329,-0.0225576,0.00510483,0.011328],[-0.0533226,0.0111988,-0.00187678,0.00262737]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.83
S298 (cal/mol*K) = -17.81
G298 (kcal/mol) = 50.13

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(189); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(189)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.175e+01 -1.355e+00 -3.070e-01 -2.239e-02 / CHEB/ 1.434e+01 8.614e-01 3.949e-02 -2.327e-02 / CHEB/ -1.587e-01 1.692e-01 5.275e-02 -2.622e-02 / CHEB/ -2.257e-01 -3.300e-02 2.851e-02 4.817e-03 / CHEB/ -1.373e-01 -2.256e-02 5.105e-03 1.133e-02 / CHEB/ -5.332e-02 1.120e-02 -1.877e-03 2.627e-03 /

2500.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.7	-6.4	-4.1	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-7.1	-4.5	-3.6

Chebyshev(coeffs=[[-8.08486,-1.60182,-0.307634,-0.0445476],[10.8668,0.942217,0.02061,0.0211316],[0.0765462,0.218507,0.0246517,-0.0371576],[-0.183654,-0.0119592,0.0346783,-0.010596],[-0.144517,-0.0188682,0.0176688,0.0112282],[-0.0262666,0.00836917,0.000686471,0.00716609]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.03
S298 (cal/mol*K) = -26.13
G298 (kcal/mol) = 37.81

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(190); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(190)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.085e+00 -1.602e+00 -3.076e-01 -4.455e-02 / CHEB/ 1.087e+01 9.422e-01 2.061e-02 2.113e-02 / CHEB/ 7.655e-02 2.185e-01 2.465e-02 -3.716e-02 / CHEB/ -1.837e-01 -1.196e-02 3.468e-02 -1.060e-02 / CHEB/ -1.445e-01 -1.887e-02 1.767e-02 1.123e-02 / CHEB/ -2.627e-02 8.369e-03 6.865e-04 7.166e-03 /

2501.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.6	-9.9	-6.6	-5.3
log₁₀(k(10 bar)/[mole,m,s])	-22.5	-10.4	-6.9	-5.5

Chebyshev(coeffs=[[-15.0803,-1.23035,-0.312627,-0.0193231],[16.1845,0.820187,0.0663969,-0.0364748],[-0.20351,0.139268,0.0592156,-0.0166169],[-0.226503,-0.0428053,0.0208358,0.00951746],[-0.132336,-0.0220412,-0.000308876,0.00932845],[-0.0516987,0.0130566,-0.00157487,0.000750939]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.33
S298 (cal/mol*K) = -20.51
G298 (kcal/mol) = 57.44

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(191); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(191)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.508e+01 -1.230e+00 -3.126e-01 -1.932e-02 / CHEB/ 1.618e+01 8.202e-01 6.640e-02 -3.647e-02 / CHEB/ -2.035e-01 1.393e-01 5.922e-02 -1.662e-02 / CHEB/ -2.265e-01 -4.281e-02 2.084e-02 9.517e-03 / CHEB/ -1.323e-01 -2.204e-02 -3.089e-04 9.328e-03 / CHEB/ -5.170e-02 1.306e-02 -1.575e-03 7.509e-04 /

2502.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.6	-9.9	-6.6	-5.3
log₁₀(k(10 bar)/[mole,m,s])	-22.5	-10.4	-6.9	-5.5

H298 (kcal/mol) = 51.33
S298 (cal/mol*K) = -20.51
G298 (kcal/mol) = 57.44

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(192); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.508e+01 -1.230e+00 -3.126e-01 -1.932e-02 / CHEB/ 1.618e+01 8.202e-01 6.640e-02 -3.647e-02 / CHEB/ -2.035e-01 1.393e-01 5.922e-02 -1.662e-02 / CHEB/ -2.265e-01 -4.281e-02 2.084e-02 9.517e-03 / CHEB/ -1.323e-01 -2.204e-02 -3.089e-04 9.328e-03 / CHEB/ -5.170e-02 1.306e-02 -1.575e-03 7.509e-04 /

2503.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-5.7	-3.0	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-6.3	-3.4	-2.3

Chebyshev(coeffs=[[-9.18405,-1.43438,-0.310042,-0.0191642],[13.5293,0.902741,0.0173617,-0.0309924],[-0.1903,0.168767,0.0536162,-0.0299834],[-0.222589,-0.0242379,0.0322588,0.00304229],[-0.127326,-0.0197472,0.00797315,0.012188],[-0.0449603,0.0129022,-0.00141501,0.00306169]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.83
S298 (cal/mol*K) = -9.08
G298 (kcal/mol) = 43.53

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C6H8(193); C2H3(100), CH2(137); C5H7(210)+C2H3(100)(+M)=>C6H8(193)+CH2(137)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.184e+00 -1.434e+00 -3.100e-01 -1.916e-02 / CHEB/ 1.353e+01 9.027e-01 1.736e-02 -3.099e-02 / CHEB/ -1.903e-01 1.688e-01 5.362e-02 -2.998e-02 / CHEB/ -2.226e-01 -2.424e-02 3.226e-02 3.042e-03 / CHEB/ -1.273e-01 -1.975e-02 7.973e-03 1.219e-02 / CHEB/ -4.496e-02 1.290e-02 -1.415e-03 3.062e-03 /

2504.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-1.5	-0.5	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-7.0	-2.4	-1.1	-0.8

Chebyshev(coeffs=[[0.791518,-2.18221,-0.40104,-0.076318],[4.69986,1.20109,0.130705,0.0616189],[0.358662,0.208369,-0.0426815,-0.00423777],[-0.228684,0.0137375,-0.0012944,-0.0325579],[-0.142572,0.00646545,0.0311334,-0.00656059],[-0.0453005,0.015509,0.0152643,0.00769699]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.25
S298 (cal/mol*K) = -39.29
G298 (kcal/mol) = 8.46

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(194); C2H3(100), C7H10(194); C5H7(210)+C2H3(100)(+M)=>C7H10(194)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.915e-01 -2.182e+00 -4.010e-01 -7.632e-02 / CHEB/ 4.700e+00 1.201e+00 1.307e-01 6.162e-02 / CHEB/ 3.587e-01 2.084e-01 -4.268e-02 -4.238e-03 / CHEB/ -2.287e-01 1.374e-02 -1.294e-03 -3.256e-02 / CHEB/ -1.426e-01 6.465e-03 3.113e-02 -6.561e-03 / CHEB/ -4.530e-02 1.551e-02 1.526e-02 7.697e-03 /

2505.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-1.4	-0.3	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-7.0	-2.3	-1.0	-0.6

Chebyshev(coeffs=[[0.804645,-2.17964,-0.400646,-0.0764],[4.83618,1.19974,0.13027,0.0618108],[0.383746,0.208654,-0.0426096,-0.004491],[-0.220964,0.0136621,-0.0010641,-0.0325526],[-0.140162,0.00636057,0.0311617,-0.00648026],[-0.044491,0.0154613,0.0152036,0.00772975]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.85
S298 (cal/mol*K) = -38.64
G298 (kcal/mol) = 8.67

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(195); C2H3(100), C7H10(195); C5H7(210)+C2H3(100)(+M)=>C7H10(195)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.046e-01 -2.180e+00 -4.006e-01 -7.640e-02 / CHEB/ 4.836e+00 1.200e+00 1.303e-01 6.181e-02 / CHEB/ 3.837e-01 2.087e-01 -4.261e-02 -4.491e-03 / CHEB/ -2.210e-01 1.366e-02 -1.064e-03 -3.255e-02 / CHEB/ -1.402e-01 6.361e-03 3.116e-02 -6.480e-03 / CHEB/ -4.449e-02 1.546e-02 1.520e-02 7.730e-03 /

2506.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-2.4	-0.9	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-3.2	-1.4	-0.8

Chebyshev(coeffs=[[-1.36942,-1.9828,-0.365211,-0.0773826],[6.72374,1.09007,0.086973,0.0684429],[0.341786,0.228713,-0.0286922,-0.0223736],[-0.192857,0.0080209,0.0150758,-0.0297581],[-0.139713,-0.00268399,0.0306504,5.22967e-05],[-0.0482845,0.012868,0.0102899,0.00933788]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.25
S298 (cal/mol*K) = -39.29
G298 (kcal/mol) = 8.46

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(196); C2H3(100), C7H10(196); C5H7(210)+C2H3(100)(+M)=>C7H10(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.369e+00 -1.983e+00 -3.652e-01 -7.738e-02 / CHEB/ 6.724e+00 1.090e+00 8.697e-02 6.844e-02 / CHEB/ 3.418e-01 2.287e-01 -2.869e-02 -2.237e-02 / CHEB/ -1.929e-01 8.021e-03 1.508e-02 -2.976e-02 / CHEB/ -1.397e-01 -2.684e-03 3.065e-02 5.230e-05 / CHEB/ -4.828e-02 1.287e-02 1.029e-02 9.338e-03 /

2507.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.7	-0.4	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-7.0	-2.5	-1.0	-0.3

Chebyshev(coeffs=[[0.927939,-1.7161,-0.156982,0.0019068],[4.57973,0.737785,-0.114042,-0.00304553],[0.57416,0.328439,-0.00458006,-0.0127889],[-0.137178,0.0743744,0.0341865,-0.0189697],[-0.101716,0.00255567,0.029801,-0.00569841],[-0.029725,0.00756219,0.00861937,0.00397357]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.85
S298 (cal/mol*K) = -38.64
G298 (kcal/mol) = 8.67

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(197); C2H3(100), C7H10(197); C5H7(210)+C2H3(100)(+M)=>C7H10(197)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.279e-01 -1.716e+00 -1.570e-01 1.907e-03 / CHEB/ 4.580e+00 7.378e-01 -1.140e-01 -3.046e-03 / CHEB/ 5.742e-01 3.284e-01 -4.580e-03 -1.279e-02 / CHEB/ -1.372e-01 7.437e-02 3.419e-02 -1.897e-02 / CHEB/ -1.017e-01 2.556e-03 2.980e-02 -5.698e-03 / CHEB/ -2.972e-02 7.562e-03 8.619e-03 3.974e-03 /

2508.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-2.4	-0.9	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-3.2	-1.4	-0.8

H298 (kcal/mol) = -3.25
S298 (cal/mol*K) = -37.91
G298 (kcal/mol) = 8.05

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(198); C2H3(100), C7H10(198); C5H7(210)+C2H3(100)(+M)=>C7H10(198)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.369e+00 -1.983e+00 -3.652e-01 -7.738e-02 / CHEB/ 6.724e+00 1.090e+00 8.697e-02 6.844e-02 / CHEB/ 3.418e-01 2.287e-01 -2.869e-02 -2.237e-02 / CHEB/ -1.929e-01 8.021e-03 1.508e-02 -2.976e-02 / CHEB/ -1.397e-01 -2.684e-03 3.065e-02 5.230e-05 / CHEB/ -4.828e-02 1.287e-02 1.029e-02 9.338e-03 /

2509.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-2.7	-1.7	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-3.6	-2.4	-2.1

Chebyshev(coeffs=[[-0.0490569,-2.24474,-0.410119,-0.0742227],[4.19828,1.22968,0.140191,0.056849],[0.359995,0.203765,-0.043498,0.00172822],[-0.231887,0.0145925,-0.00717669,-0.0322109],[-0.140998,0.0093273,0.0300816,-0.00855978],[-0.0433127,0.0167614,0.016724,0.00678822]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.25
S298 (cal/mol*K) = -39.29
G298 (kcal/mol) = 8.46

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(199); C2H3(100), C7H10(199); C5H7(210)+C2H3(100)(+M)=>C7H10(199)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.906e-02 -2.245e+00 -4.101e-01 -7.422e-02 / CHEB/ 4.198e+00 1.230e+00 1.402e-01 5.685e-02 / CHEB/ 3.600e-01 2.038e-01 -4.350e-02 1.728e-03 / CHEB/ -2.319e-01 1.459e-02 -7.177e-03 -3.221e-02 / CHEB/ -1.410e-01 9.327e-03 3.008e-02 -8.560e-03 / CHEB/ -4.331e-02 1.676e-02 1.672e-02 6.788e-03 /

2510.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-3.8	-2.5	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-4.7	-3.1	-2.6

Chebyshev(coeffs=[[-2.18581,-2.06645,-0.381284,-0.0784712],[5.79792,1.1369,0.107279,0.0679416],[0.349589,0.221166,-0.0364447,-0.0152708],[-0.210216,0.0104565,0.00852496,-0.0315197],[-0.14234,0.00125309,0.0314876,-0.00278456],[-0.0474372,0.0138351,0.012436,0.0088552]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.25
S298 (cal/mol*K) = -38.64
G298 (kcal/mol) = 17.77

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(200); C2H3(100), C7H10(200); C5H7(210)+C2H3(100)(+M)=>C7H10(200)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.186e+00 -2.066e+00 -3.813e-01 -7.847e-02 / CHEB/ 5.798e+00 1.137e+00 1.073e-01 6.794e-02 / CHEB/ 3.496e-01 2.212e-01 -3.644e-02 -1.527e-02 / CHEB/ -2.102e-01 1.046e-02 8.525e-03 -3.152e-02 / CHEB/ -1.423e-01 1.253e-03 3.149e-02 -2.785e-03 / CHEB/ -4.744e-02 1.384e-02 1.244e-02 8.855e-03 /

2511.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-4.0	-2.7	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-4.9	-3.3	-2.9

Chebyshev(coeffs=[[-2.3565,-2.06645,-0.381284,-0.0784712],[5.73117,1.1369,0.107279,0.0679416],[0.334849,0.221166,-0.0364447,-0.0152708],[-0.214556,0.0104565,0.00852496,-0.0315197],[-0.143777,0.00125309,0.0314876,-0.00278456],[-0.0479434,0.0138351,0.012436,0.0088552]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.25
S298 (cal/mol*K) = -38.64
G298 (kcal/mol) = 17.77

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(201); C2H3(100), C7H10(201); C5H7(210)+C2H3(100)(+M)=>C7H10(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.357e+00 -2.066e+00 -3.813e-01 -7.847e-02 / CHEB/ 5.731e+00 1.137e+00 1.073e-01 6.794e-02 / CHEB/ 3.348e-01 2.212e-01 -3.644e-02 -1.527e-02 / CHEB/ -2.146e-01 1.046e-02 8.525e-03 -3.152e-02 / CHEB/ -1.438e-01 1.253e-03 3.149e-02 -2.785e-03 / CHEB/ -4.794e-02 1.384e-02 1.244e-02 8.855e-03 /

2512.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	-1.2	-0.1	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-2.1	-0.7	-0.3

Chebyshev(coeffs=[[1.11706,-2.21877,-0.406466,-0.0751201],[4.74468,1.21875,0.136512,0.058861],[0.436418,0.205232,-0.0433697,-0.000710679],[-0.208873,0.0143979,-0.00468344,-0.0324574],[-0.134347,0.00810882,0.0306097,-0.00772846],[-0.0416182,0.0162048,0.0161243,0.00719377]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.25
S298 (cal/mol*K) = -36.70
G298 (kcal/mol) = 9.69

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(202); C2H3(100), C7H10(202); C5H7(210)+C2H3(100)(+M)=>C7H10(202)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.117e+00 -2.219e+00 -4.065e-01 -7.512e-02 / CHEB/ 4.745e+00 1.219e+00 1.365e-01 5.886e-02 / CHEB/ 4.364e-01 2.052e-01 -4.337e-02 -7.107e-04 / CHEB/ -2.089e-01 1.440e-02 -4.683e-03 -3.246e-02 / CHEB/ -1.343e-01 8.109e-03 3.061e-02 -7.728e-03 / CHEB/ -4.162e-02 1.620e-02 1.612e-02 7.194e-03 /

2513.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-2.3	-0.8	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-3.1	-1.3	-0.8

Chebyshev(coeffs=[[-1.08679,-2.00537,-0.369623,-0.0779337],[6.51,1.10253,0.0926057,0.0687112],[0.354268,0.226907,-0.0310146,-0.0205578],[-0.194688,0.00870436,0.0133546,-0.0303187],[-0.139587,-0.00162394,0.0309609,-0.00071528],[-0.0477545,0.0131162,0.0108753,0.00923688]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.31
S298 (cal/mol*K) = -35.05
G298 (kcal/mol) = 19.76

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(203); C2H3(100), C7H10(203); C5H7(210)+C2H3(100)(+M)=>C7H10(203)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.087e+00 -2.005e+00 -3.696e-01 -7.793e-02 / CHEB/ 6.510e+00 1.103e+00 9.261e-02 6.871e-02 / CHEB/ 3.543e-01 2.269e-01 -3.101e-02 -2.056e-02 / CHEB/ -1.947e-01 8.704e-03 1.335e-02 -3.032e-02 / CHEB/ -1.396e-01 -1.624e-03 3.096e-02 -7.153e-04 / CHEB/ -4.775e-02 1.312e-02 1.088e-02 9.237e-03 /

2514.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-1.7	+0.6	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-2.4	+0.2	+1.1

Chebyshev(coeffs=[[-3.48148,-1.61521,-0.30892,-0.0455622],[10.9455,0.940211,0.02004,0.023349],[0.162939,0.217357,0.0224102,-0.0371851],[-0.177587,-0.0109865,0.0342463,-0.0113986],[-0.166108,-0.0171167,0.018165,0.0108656],[-0.0630075,0.00990039,0.00105929,0.00722492]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.16
S298 (cal/mol*K) = -27.40
G298 (kcal/mol) = 18.32

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(204); C2H3(100), C7H10(204); C5H7(210)+C2H3(100)(+M)=>C7H10(204)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.481e+00 -1.615e+00 -3.089e-01 -4.556e-02 / CHEB/ 1.095e+01 9.402e-01 2.004e-02 2.335e-02 / CHEB/ 1.629e-01 2.174e-01 2.241e-02 -3.719e-02 / CHEB/ -1.776e-01 -1.099e-02 3.425e-02 -1.140e-02 / CHEB/ -1.661e-01 -1.712e-02 1.816e-02 1.087e-02 / CHEB/ -6.301e-02 9.900e-03 1.059e-03 7.225e-03 /

2515.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-1.7	+0.6	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-2.4	+0.2	+1.1

H298 (kcal/mol) = 10.16
S298 (cal/mol*K) = -28.78
G298 (kcal/mol) = 18.73

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(205); C2H3(100), C7H10(205); C5H7(210)+C2H3(100)(+M)=>C7H10(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.481e+00 -1.615e+00 -3.089e-01 -4.556e-02 / CHEB/ 1.095e+01 9.402e-01 2.004e-02 2.335e-02 / CHEB/ 1.629e-01 2.174e-01 2.241e-02 -3.719e-02 / CHEB/ -1.776e-01 -1.099e-02 3.425e-02 -1.140e-02 / CHEB/ -1.661e-01 -1.712e-02 1.816e-02 1.087e-02 / CHEB/ -6.301e-02 9.900e-03 1.059e-03 7.225e-03 /

2516.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-2.9	-0.9	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-3.7	-1.4	-0.7

Chebyshev(coeffs=[[-2.61605,-2.5917,-0.337825,0.00963999],[7.79912,1.77344,-0.045055,-0.0509959],[0.793025,0.400783,0.121204,-0.014782],[-0.24206,-0.0715668,0.0513381,0.00812337],[-0.190199,-0.08074,-0.00680951,0.00403988],[-0.0832067,-0.00489821,-0.0148593,-0.00258093]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.27
S298 (cal/mol*K) = -32.62
G298 (kcal/mol) = 2.45

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(247); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(247)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.616e+00 -2.592e+00 -3.378e-01 9.640e-03 / CHEB/ 7.799e+00 1.773e+00 -4.506e-02 -5.100e-02 / CHEB/ 7.930e-01 4.008e-01 1.212e-01 -1.478e-02 / CHEB/ -2.421e-01 -7.157e-02 5.134e-02 8.123e-03 / CHEB/ -1.902e-01 -8.074e-02 -6.810e-03 4.040e-03 / CHEB/ -8.321e-02 -4.898e-03 -1.486e-02 -2.581e-03 /

2517.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-5.7	-3.2	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-6.4	-3.6	-2.5

Chebyshev(coeffs=[[-6.88948,-2.30984,-0.374892,0.00536814],[10.1364,1.71997,0.0349488,-0.0608357],[0.72317,0.328182,0.13025,-0.00644138],[-0.222417,-0.0940433,0.0394913,0.0097023],[-0.170378,-0.0766684,-0.0131866,0.00399681],[-0.0551911,0.00129922,-0.0138367,-0.00237417]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.13
S298 (cal/mol*K) = -25.62
G298 (kcal/mol) = 23.76

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(248); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(248)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.889e+00 -2.310e+00 -3.749e-01 5.368e-03 / CHEB/ 1.014e+01 1.720e+00 3.495e-02 -6.084e-02 / CHEB/ 7.232e-01 3.282e-01 1.302e-01 -6.441e-03 / CHEB/ -2.224e-01 -9.404e-02 3.949e-02 9.702e-03 / CHEB/ -1.704e-01 -7.667e-02 -1.319e-02 3.997e-03 / CHEB/ -5.519e-02 1.299e-03 -1.384e-02 -2.374e-03 /

2518.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-5.7	-3.2	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-6.4	-3.6	-2.5

H298 (kcal/mol) = 16.13
S298 (cal/mol*K) = -25.62
G298 (kcal/mol) = 23.76

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(249); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(249)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.889e+00 -2.310e+00 -3.749e-01 5.368e-03 / CHEB/ 1.014e+01 1.720e+00 3.495e-02 -6.084e-02 / CHEB/ 7.232e-01 3.282e-01 1.302e-01 -6.441e-03 / CHEB/ -2.224e-01 -9.404e-02 3.949e-02 9.702e-03 / CHEB/ -1.704e-01 -7.667e-02 -1.319e-02 3.997e-03 / CHEB/ -5.519e-02 1.299e-03 -1.384e-02 -2.374e-03 /

2519.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-6.3	-4.1	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-7.1	-4.6	-3.7

Chebyshev(coeffs=[[-6.83477,-2.43566,-0.357164,0.00749183],[8.97562,1.76476,-0.00258124,-0.0575246],[0.755119,0.355251,0.129506,-0.0102066],[-0.243167,-0.0870006,0.0447799,0.0091596],[-0.177904,-0.078601,-0.010796,0.00388935],[-0.0577763,-0.00116664,-0.0143721,-0.00231498]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.21
S298 (cal/mol*K) = -46.32
G298 (kcal/mol) = -2.41

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(250); C2H3(100), C7H10(250); C5H7(210)+C2H3(100)(+M)=>C7H10(250)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.835e+00 -2.436e+00 -3.572e-01 7.492e-03 / CHEB/ 8.976e+00 1.765e+00 -2.581e-03 -5.752e-02 / CHEB/ 7.551e-01 3.553e-01 1.295e-01 -1.021e-02 / CHEB/ -2.432e-01 -8.700e-02 4.478e-02 9.160e-03 / CHEB/ -1.779e-01 -7.860e-02 -1.080e-02 3.889e-03 / CHEB/ -5.778e-02 -1.167e-03 -1.437e-02 -2.315e-03 /

2520.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	+0.3	+2.4	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-0.5	+2.0	+2.8

Chebyshev(coeffs=[[0.00599324,-2.47443,-0.350197,0.00778443],[8.58245,1.78188,-0.0143481,-0.055975],[0.812866,0.365969,0.129677,-0.0115846],[-0.249526,-0.0841924,0.0468066,0.00903774],[-0.21804,-0.0785255,-0.0101526,0.00390383],[-0.0348672,-0.00279577,-0.0144838,-0.00231508]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.86
S298 (cal/mol*K) = -33.85
G298 (kcal/mol) = -5.77

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(251); C2H3(100), C7H10(251); C5H7(210)+C2H3(100)(+M)=>C7H10(251)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.993e-03 -2.474e+00 -3.502e-01 7.784e-03 / CHEB/ 8.582e+00 1.782e+00 -1.435e-02 -5.597e-02 / CHEB/ 8.129e-01 3.660e-01 1.297e-01 -1.158e-02 / CHEB/ -2.495e-01 -8.419e-02 4.681e-02 9.038e-03 / CHEB/ -2.180e-01 -7.853e-02 -1.015e-02 3.904e-03 / CHEB/ -3.487e-02 -2.796e-03 -1.448e-02 -2.315e-03 /

2521.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	+0.4	+1.7	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-0.6	+1.0	+1.4

Chebyshev(coeffs=[[1.71942,-2.76731,-0.324867,0.0132335],[5.96072,1.69691,-0.0815991,-0.0429935],[0.486225,0.45073,0.101444,-0.0178675],[-0.286114,-0.0397567,0.0556466,0.00652989],[-0.19363,-0.0793987,-0.00112587,0.00475144],[-0.0635141,-0.0117901,-0.0151704,-0.0026698]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.38
S298 (cal/mol*K) = -44.60
G298 (kcal/mol) = -55.09

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(252); C2H3(100), C7H10(252); C5H7(210)+C2H3(100)(+M)=>C7H10(252)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.719e+00 -2.767e+00 -3.249e-01 1.323e-02 / CHEB/ 5.961e+00 1.697e+00 -8.160e-02 -4.299e-02 / CHEB/ 4.862e-01 4.507e-01 1.014e-01 -1.787e-02 / CHEB/ -2.861e-01 -3.976e-02 5.565e-02 6.530e-03 / CHEB/ -1.936e-01 -7.940e-02 -1.126e-03 4.751e-03 / CHEB/ -6.351e-02 -1.179e-02 -1.517e-02 -2.670e-03 /

2522.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-7.9	-5.7	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-17.3	-8.5	-6.1	-5.3

Chebyshev(coeffs=[[-8.94477,-2.22034,-0.38685,0.00314787],[9.7848,1.67726,0.0610179,-0.0616733],[0.424426,0.311934,0.129274,-0.00416778],[-0.283147,-0.0977485,0.0357956,0.0101715],[-0.189639,-0.0749693,-0.0147662,0.00407638],[-0.0620846,0.00262783,-0.0133191,-0.00257756]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.69
S298 (cal/mol*K) = -48.72
G298 (kcal/mol) = -2.18

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(253); C2H3(100), C7H10(253); C5H7(210)+C2H3(100)(+M)=>C7H10(253)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.945e+00 -2.220e+00 -3.868e-01 3.148e-03 / CHEB/ 9.785e+00 1.677e+00 6.102e-02 -6.167e-02 / CHEB/ 4.244e-01 3.119e-01 1.293e-01 -4.168e-03 / CHEB/ -2.831e-01 -9.775e-02 3.580e-02 1.017e-02 / CHEB/ -1.896e-01 -7.497e-02 -1.477e-02 4.076e-03 / CHEB/ -6.208e-02 2.628e-03 -1.332e-02 -2.578e-03 /

2523.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+0.1	+1.2	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-7.0	-0.9	+0.7	+0.9

Chebyshev(coeffs=[[1.47727,-2.71496,-0.327939,0.0120628],[5.78351,1.72841,-0.0718421,-0.0454301],[0.431588,0.438741,0.107943,-0.0172222],[-0.31563,-0.0503988,0.0549593,0.00696804],[-0.204906,-0.0807287,-0.00281785,0.00447706],[-0.0677697,-0.00978954,-0.0151323,-0.00270385]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.00
S298 (cal/mol*K) = -45.32
G298 (kcal/mol) = -10.50

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(254); C2H3(100), C7H10(254); C5H7(210)+C2H3(100)(+M)=>C7H10(254)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.477e+00 -2.715e+00 -3.279e-01 1.206e-02 / CHEB/ 5.784e+00 1.728e+00 -7.184e-02 -4.543e-02 / CHEB/ 4.316e-01 4.387e-01 1.079e-01 -1.722e-02 / CHEB/ -3.156e-01 -5.040e-02 5.496e-02 6.968e-03 / CHEB/ -2.049e-01 -8.073e-02 -2.818e-03 4.477e-03 / CHEB/ -6.777e-02 -9.790e-03 -1.513e-02 -2.704e-03 /

2524.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.0	-6.8	-1.1	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-27.1	-6.5	-0.5	+2.0

Chebyshev(coeffs=[[-26.1875,0.348903,-0.1863,-0.0231059],[28.6887,0.80213,-0.0331702,0.014989],[-0.870767,0.332403,-0.00229844,-0.0262257],[-0.354964,0.0963671,0.0359264,-0.0149008],[-0.141566,0.0145286,0.0311805,0.00360425],[-0.0614682,0.00415993,0.00919646,0.00763336]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.63
S298 (cal/mol*K) = 36.12
G298 (kcal/mol) = 87.87

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C4H5(156); C7H10(153), C3H5(129); C7H10(153)(+M)=>C4H5(156)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.619e+01 3.489e-01 -1.863e-01 -2.311e-02 / CHEB/ 2.869e+01 8.021e-01 -3.317e-02 1.499e-02 / CHEB/ -8.708e-01 3.324e-01 -2.298e-03 -2.623e-02 / CHEB/ -3.550e-01 9.637e-02 3.593e-02 -1.490e-02 / CHEB/ -1.416e-01 1.453e-02 3.118e-02 3.604e-03 / CHEB/ -6.147e-02 4.160e-03 9.196e-03 7.633e-03 /

2525.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.5	-10.8	-4.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-33.5	-10.4	-3.4	-0.3

Chebyshev(coeffs=[[-32.3682,0.559114,-0.21854,-0.00931923],[32.2126,0.880478,-0.00764286,-0.0127134],[-0.706049,0.28501,0.0410521,-0.030377],[-0.274078,0.0315949,0.0459398,-0.0023982],[-0.0997384,-0.0173274,0.0202479,0.0113859],[-0.0460461,-0.00014726,0.000873267,0.00664626]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 108.45
S298 (cal/mol*K) = 26.48
G298 (kcal/mol) = 100.56

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(187); C7H10(153)(+M)=>H(25)+C7H9(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.237e+01 5.591e-01 -2.185e-01 -9.319e-03 / CHEB/ 3.221e+01 8.805e-01 -7.643e-03 -1.271e-02 / CHEB/ -7.060e-01 2.850e-01 4.105e-02 -3.038e-02 / CHEB/ -2.741e-01 3.159e-02 4.594e-02 -2.398e-03 / CHEB/ -9.974e-02 -1.733e-02 2.025e-02 1.139e-02 / CHEB/ -4.605e-02 -1.473e-04 8.733e-04 6.646e-03 /

2526.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.3	-7.9	-1.9	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-28.4	-7.7	-1.4	+1.4

Chebyshev(coeffs=[[-27.1205,0.261979,-0.177972,-0.0291499],[28.6468,0.745953,-0.0293339,0.0231676],[-0.556983,0.33233,-0.0186771,-0.0207878],[-0.272276,0.121293,0.0251927,-0.0170159],[-0.122333,0.0339311,0.0314872,-0.000218527],[-0.0566203,0.0102073,0.0129019,0.00655902]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.35
S298 (cal/mol*K) = 18.93
G298 (kcal/mol) = 89.71

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(188); C7H10(153)(+M)=>H(25)+C7H9(188)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.712e+01 2.620e-01 -1.780e-01 -2.915e-02 / CHEB/ 2.865e+01 7.460e-01 -2.933e-02 2.317e-02 / CHEB/ -5.570e-01 3.323e-01 -1.868e-02 -2.079e-02 / CHEB/ -2.723e-01 1.213e-01 2.519e-02 -1.702e-02 / CHEB/ -1.223e-01 3.393e-02 3.149e-02 -2.185e-04 / CHEB/ -5.662e-02 1.021e-02 1.290e-02 6.559e-03 /

2527.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.1	-12.6	-5.2	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-37.0	-12.0	-4.4	-1.0

Chebyshev(coeffs=[[-35.9322,0.846749,-0.267762,-0.00382816],[35.0115,0.85,0.0782736,-0.0427353],[-0.677353,0.186184,0.0717558,-0.0124879],[-0.234732,-0.0249376,0.0292201,0.0132792],[-0.0765915,-0.029563,0.00144232,0.0110562],[-0.0398356,0.00370036,-0.00298313,0.0016571]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 117.95
S298 (cal/mol*K) = 27.13
G298 (kcal/mol) = 109.87

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(189); C7H10(153)(+M)=>H(25)+C7H9(189)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.593e+01 8.467e-01 -2.678e-01 -3.828e-03 / CHEB/ 3.501e+01 8.500e-01 7.827e-02 -4.274e-02 / CHEB/ -6.774e-01 1.862e-01 7.176e-02 -1.249e-02 / CHEB/ -2.347e-01 -2.494e-02 2.922e-02 1.328e-02 / CHEB/ -7.659e-02 -2.956e-02 1.442e-03 1.106e-02 / CHEB/ -3.984e-02 3.700e-03 -2.983e-03 1.657e-03 /

2528.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.7	-10.5	-3.9	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-32.8	-10.2	-3.3	-0.2

Chebyshev(coeffs=[[-31.5506,0.465754,-0.200616,-0.0161069],[31.3964,0.867309,-0.0247259,0.00149197],[-0.594974,0.315412,0.0229857,-0.0305284],[-0.261894,0.058463,0.0452971,-0.00886428],[-0.10143,-0.00763032,0.0265124,0.0087636],[-0.0458132,-0.000584585,0.00395075,0.00777471]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.15
S298 (cal/mol*K) = 18.81
G298 (kcal/mol) = 97.55

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(190); C7H10(153)(+M)=>H(25)+C7H9(190)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.155e+01 4.658e-01 -2.006e-01 -1.611e-02 / CHEB/ 3.140e+01 8.673e-01 -2.473e-02 1.492e-03 / CHEB/ -5.950e-01 3.154e-01 2.299e-02 -3.053e-02 / CHEB/ -2.619e-01 5.846e-02 4.530e-02 -8.864e-03 / CHEB/ -1.014e-01 -7.630e-03 2.651e-02 8.764e-03 / CHEB/ -4.581e-02 -5.846e-04 3.951e-03 7.775e-03 /

2529.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.0	-15.2	-7.2	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-40.7	-14.4	-6.3	-2.6

Chebyshev(coeffs=[[-39.7205,1.0711,-0.288534,-0.0176156],[37.0567,0.751435,0.146515,-0.0379508],[-0.640559,0.117886,0.0685988,0.00541184],[-0.202602,-0.0450454,0.00869965,0.015085],[-0.0611161,-0.027757,-0.00734409,0.00583489],[-0.0369777,0.00736797,-0.00138265,-0.000861276]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 124.45
S298 (cal/mol*K) = 24.43
G298 (kcal/mol) = 117.17

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(191); C7H10(153)(+M)=>H(25)+C7H9(191)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.972e+01 1.071e+00 -2.885e-01 -1.762e-02 / CHEB/ 3.706e+01 7.514e-01 1.465e-01 -3.795e-02 / CHEB/ -6.406e-01 1.179e-01 6.860e-02 5.412e-03 / CHEB/ -2.026e-01 -4.505e-02 8.700e-03 1.508e-02 / CHEB/ -6.112e-02 -2.776e-02 -7.344e-03 5.835e-03 / CHEB/ -3.698e-02 7.368e-03 -1.383e-03 -8.613e-04 /

2530.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.0	-15.2	-7.2	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-40.7	-14.4	-6.3	-2.6

H298 (kcal/mol) = 124.45
S298 (cal/mol*K) = 24.43
G298 (kcal/mol) = 117.17

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(192); C7H10(153)(+M)=>H(25)+C7H9(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.972e+01 1.071e+00 -2.885e-01 -1.762e-02 / CHEB/ 3.706e+01 7.514e-01 1.465e-01 -3.795e-02 / CHEB/ -6.406e-01 1.179e-01 6.860e-02 5.412e-03 / CHEB/ -2.026e-01 -4.505e-02 8.700e-03 1.508e-02 / CHEB/ -6.112e-02 -2.776e-02 -7.344e-03 5.835e-03 / CHEB/ -3.698e-02 7.368e-03 -1.383e-03 -8.613e-04 /

2531.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.4	-10.6	-3.6	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-34.3	-10.0	-2.7	+0.5

Chebyshev(coeffs=[[-33.3975,0.806876,-0.262407,-0.00288496],[34.1004,0.859578,0.0655214,-0.0407525],[-0.809731,0.200527,0.0697963,-0.0159127],[-0.275071,-0.0187012,0.0326409,0.0118705],[-0.0908845,-0.0291265,0.00379683,0.0117241],[-0.0446884,0.00288906,-0.00288928,0.0023397]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 113.95
S298 (cal/mol*K) = 35.86
G298 (kcal/mol) = 103.27

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C6H8(193); C7H10(153), CH2(137); C7H10(153)(+M)=>C6H8(193)+CH2(137)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.340e+01 8.069e-01 -2.624e-01 -2.885e-03 / CHEB/ 3.410e+01 8.596e-01 6.552e-02 -4.075e-02 / CHEB/ -8.097e-01 2.005e-01 6.980e-02 -1.591e-02 / CHEB/ -2.751e-01 -1.870e-02 3.264e-02 1.187e-02 / CHEB/ -9.088e-02 -2.913e-02 3.797e-03 1.172e-02 / CHEB/ -4.469e-02 2.889e-03 -2.889e-03 2.340e-03 /

2532.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-3.8	+1.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-3.9	+1.2	+3.4

Chebyshev(coeffs=[[-19.1785,-0.0338635,-0.181881,-0.0485294],[22.834,0.557551,0.0307951,0.0321126],[-0.444867,0.244382,-0.0390626,0.00034574],[-0.235706,0.139305,-0.0130198,-0.0115458],[-0.124788,0.0853958,0.0154618,-0.00558278],[-0.066317,0.0418417,0.0172766,0.0011118]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.87
S298 (cal/mol*K) = 5.64
G298 (kcal/mol) = 68.19

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(194); C7H10(153)(+M)=>C7H10(194)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.918e+01 -3.386e-02 -1.819e-01 -4.853e-02 / CHEB/ 2.283e+01 5.576e-01 3.080e-02 3.211e-02 / CHEB/ -4.449e-01 2.444e-01 -3.906e-02 3.457e-04 / CHEB/ -2.357e-01 1.393e-01 -1.302e-02 -1.155e-02 / CHEB/ -1.248e-01 8.540e-02 1.546e-02 -5.583e-03 / CHEB/ -6.632e-02 4.184e-02 1.728e-02 1.112e-03 /

2533.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-3.7	+1.1	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-3.8	+1.3	+3.6

Chebyshev(coeffs=[[-19.1817,-0.0322888,-0.181803,-0.0484384],[22.9806,0.558894,0.0304703,0.0321559],[-0.416836,0.245004,-0.0391727,0.000228593],[-0.229447,0.139499,-0.0128617,-0.0116271],[-0.12275,0.085282,0.0156133,-0.00558699],[-0.0654065,0.0416607,0.017301,0.00114085]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.27
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = 68.40

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(195); C7H10(153)(+M)=>C7H10(195)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.918e+01 -3.229e-02 -1.818e-01 -4.844e-02 / CHEB/ 2.298e+01 5.589e-01 3.047e-02 3.216e-02 / CHEB/ -4.168e-01 2.450e-01 -3.917e-02 2.286e-04 / CHEB/ -2.294e-01 1.395e-01 -1.286e-02 -1.163e-02 / CHEB/ -1.227e-01 8.528e-02 1.561e-02 -5.587e-03 / CHEB/ -6.541e-02 4.166e-02 1.730e-02 1.141e-03 /

2534.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-5.3	+0.2	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-5.2	+0.5	+3.1

Chebyshev(coeffs=[[-22.6739,0.107183,-0.173012,-0.0399903],[25.9129,0.637463,-0.00454611,0.0316897],[-0.469963,0.298497,-0.0368335,-0.00963359],[-0.254396,0.145122,0.00335226,-0.0159246],[-0.128352,0.0671459,0.0251868,-0.00470653],[-0.0637185,0.0264239,0.0170949,0.0035167]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.87
S298 (cal/mol*K) = 5.64
G298 (kcal/mol) = 68.19

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(196); C7H10(153)(+M)=>C7H10(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.267e+01 1.072e-01 -1.730e-01 -3.999e-02 / CHEB/ 2.591e+01 6.375e-01 -4.546e-03 3.169e-02 / CHEB/ -4.700e-01 2.985e-01 -3.683e-02 -9.634e-03 / CHEB/ -2.544e-01 1.451e-01 3.352e-03 -1.592e-02 / CHEB/ -1.284e-01 6.715e-02 2.519e-02 -4.707e-03 / CHEB/ -6.372e-02 2.642e-02 1.709e-02 3.517e-03 /

2535.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-5.5	-0.0	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-24.2	-5.5	+0.3	+2.9

Chebyshev(coeffs=[[-23.0309,0.11855,-0.17324,-0.039568],[26.0517,0.651643,-0.0056462,0.0315307],[-0.449442,0.30486,-0.0360942,-0.01033],[-0.254047,0.145841,0.00492821,-0.0162185],[-0.128525,0.0654534,0.0260709,-0.00453732],[-0.0632464,0.024878,0.0170489,0.00376549]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.27
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = 68.40

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(197); C7H10(153)(+M)=>C7H10(197)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.303e+01 1.186e-01 -1.732e-01 -3.957e-02 / CHEB/ 2.605e+01 6.516e-01 -5.646e-03 3.153e-02 / CHEB/ -4.494e-01 3.049e-01 -3.609e-02 -1.033e-02 / CHEB/ -2.540e-01 1.458e-01 4.928e-03 -1.622e-02 / CHEB/ -1.285e-01 6.545e-02 2.607e-02 -4.537e-03 / CHEB/ -6.325e-02 2.488e-02 1.705e-02 3.765e-03 /

2536.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-5.3	+0.2	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-5.2	+0.5	+3.1

H298 (kcal/mol) = 69.87
S298 (cal/mol*K) = 7.02
G298 (kcal/mol) = 67.78

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(198); C7H10(153)(+M)=>C7H10(198)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.267e+01 1.072e-01 -1.730e-01 -3.999e-02 / CHEB/ 2.591e+01 6.375e-01 -4.546e-03 3.169e-02 / CHEB/ -4.700e-01 2.985e-01 -3.683e-02 -9.634e-03 / CHEB/ -2.544e-01 1.451e-01 3.352e-03 -1.592e-02 / CHEB/ -1.284e-01 6.715e-02 2.519e-02 -4.707e-03 / CHEB/ -6.372e-02 2.642e-02 1.709e-02 3.517e-03 /

2537.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-4.8	-0.2	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-4.8	+0.0	+2.2

Chebyshev(coeffs=[[-19.4337,-0.0847163,-0.188373,-0.0507024],[21.8143,0.539514,0.0445366,0.0303807],[-0.411713,0.224082,-0.036882,0.00378186],[-0.219869,0.132113,-0.017207,-0.00963459],[-0.118364,0.0882624,0.0119545,-0.0054401],[-0.0645929,0.0463789,0.0165899,0.000512088]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.87
S298 (cal/mol*K) = 5.64
G298 (kcal/mol) = 68.19

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(199); C7H10(153)(+M)=>C7H10(199)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.943e+01 -8.472e-02 -1.884e-01 -5.070e-02 / CHEB/ 2.181e+01 5.395e-01 4.454e-02 3.038e-02 / CHEB/ -4.117e-01 2.241e-01 -3.688e-02 3.782e-03 / CHEB/ -2.199e-01 1.321e-01 -1.721e-02 -9.635e-03 / CHEB/ -1.184e-01 8.826e-02 1.195e-02 -5.440e-03 / CHEB/ -6.459e-02 4.638e-02 1.659e-02 5.121e-04 /

2538.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.0	-6.4	-1.2	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-24.1	-6.4	-1.0	+1.4

Chebyshev(coeffs=[[-22.984,0.0482872,-0.175122,-0.0438606],[24.6065,0.600396,0.00939001,0.0327722],[-0.465709,0.277241,-0.0394202,-0.0054066],[-0.251635,0.145652,-0.00420734,-0.0143585],[-0.129678,0.0765784,0.021326,-0.00538651],[-0.0659643,0.0331553,0.0175928,0.00239888]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.37
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = 77.50

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(200); C7H10(153)(+M)=>C7H10(200)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.298e+01 4.829e-02 -1.751e-01 -4.386e-02 / CHEB/ 2.461e+01 6.004e-01 9.390e-03 3.277e-02 / CHEB/ -4.657e-01 2.772e-01 -3.942e-02 -5.407e-03 / CHEB/ -2.516e-01 1.457e-01 -4.207e-03 -1.436e-02 / CHEB/ -1.297e-01 7.658e-02 2.133e-02 -5.387e-03 / CHEB/ -6.596e-02 3.316e-02 1.759e-02 2.399e-03 /

2539.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-6.6	-1.5	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-24.3	-6.6	-1.2	+1.2

Chebyshev(coeffs=[[-23.1547,0.0482872,-0.175122,-0.0438606],[24.5398,0.600396,0.00939001,0.0327722],[-0.480448,0.277241,-0.0394202,-0.0054066],[-0.255975,0.145652,-0.00420734,-0.0143585],[-0.131115,0.0765784,0.021326,-0.00538651],[-0.0664705,0.0331553,0.0175928,0.00239888]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.37
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = 77.50

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(201); C7H10(153)(+M)=>C7H10(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.315e+01 4.829e-02 -1.751e-01 -4.386e-02 / CHEB/ 2.454e+01 6.004e-01 9.390e-03 3.277e-02 / CHEB/ -4.804e-01 2.772e-01 -3.942e-02 -5.407e-03 / CHEB/ -2.560e-01 1.457e-01 -4.207e-03 -1.436e-02 / CHEB/ -1.311e-01 7.658e-02 2.133e-02 -5.387e-03 / CHEB/ -6.647e-02 3.316e-02 1.759e-02 2.399e-03 /

2540.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.5	-3.4	+1.5	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-19.6	-3.4	+1.6	+3.9

Chebyshev(coeffs=[[-18.5272,-0.0626772,-0.185378,-0.0498433],[22.5932,0.546582,0.0385999,0.0312629],[-0.350822,0.232772,-0.0380047,0.00230386],[-0.204868,0.135477,-0.015514,-0.0104768],[-0.114027,0.0872531,0.0134558,-0.00551679],[-0.062874,0.0445003,0.016928,0.000756072]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.87
S298 (cal/mol*K) = 8.23
G298 (kcal/mol) = 69.42

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(202); C7H10(153)(+M)=>C7H10(202)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.853e+01 -6.268e-02 -1.854e-01 -4.984e-02 / CHEB/ 2.259e+01 5.466e-01 3.860e-02 3.126e-02 / CHEB/ -3.508e-01 2.328e-01 -3.800e-02 2.304e-03 / CHEB/ -2.049e-01 1.355e-01 -1.551e-02 -1.048e-02 / CHEB/ -1.140e-01 8.725e-02 1.346e-02 -5.517e-03 / CHEB/ -6.287e-02 4.450e-02 1.693e-02 7.561e-04 /

2541.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-1.4	+3.3	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-17.4	-1.5	+3.5	+5.7

Chebyshev(coeffs=[[-16.3807,-0.0669788,-0.186122,-0.0499827],[22.2914,0.546471,0.0399584,0.0311059],[-0.388801,0.231027,-0.0379463,0.00258217],[-0.218987,0.134881,-0.0158453,-0.0103616],[-0.118645,0.087509,0.0132399,-0.00551097],[-0.0642324,0.0448244,0.0168887,0.000721732]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.46
S298 (cal/mol*K) = 11.34
G298 (kcal/mol) = 68.08

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(58); C7H10(153)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.638e+01 -6.698e-02 -1.861e-01 -4.998e-02 / CHEB/ 2.229e+01 5.465e-01 3.996e-02 3.111e-02 / CHEB/ -3.888e-01 2.310e-01 -3.795e-02 2.582e-03 / CHEB/ -2.190e-01 1.349e-01 -1.585e-02 -1.036e-02 / CHEB/ -1.186e-01 8.751e-02 1.324e-02 -5.511e-03 / CHEB/ -6.423e-02 4.482e-02 1.689e-02 7.217e-04 /

2542.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.3	-5.1	+0.4	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-23.4	-5.0	+0.7	+3.2

Chebyshev(coeffs=[[-22.2634,0.0912903,-0.173294,-0.0410569],[25.6085,0.626662,-0.00101704,0.0320879],[-0.461717,0.293085,-0.0377465,-0.00847546],[-0.250816,0.145747,0.00121463,-0.0155366],[-0.12792,0.0699441,0.0241733,-0.00494568],[-0.0641712,0.0282725,0.0172911,0.00319697]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.43
S298 (cal/mol*K) = 9.88
G298 (kcal/mol) = 79.49

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(203); C7H10(153)(+M)=>C7H10(203)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.226e+01 9.129e-02 -1.733e-01 -4.106e-02 / CHEB/ 2.561e+01 6.267e-01 -1.017e-03 3.209e-02 / CHEB/ -4.617e-01 2.931e-01 -3.775e-02 -8.475e-03 / CHEB/ -2.508e-01 1.457e-01 1.215e-03 -1.554e-02 / CHEB/ -1.279e-01 6.994e-02 2.417e-02 -4.946e-03 / CHEB/ -6.417e-02 2.827e-02 1.729e-02 3.197e-03 /

2543.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	+2.1	+5.2	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-8.3	+1.9	+5.2	+6.8

Chebyshev(coeffs=[[-7.39035,-0.599432,-0.259576,-0.0201059],[14.1706,0.691808,0.106433,-0.0384211],[-0.121653,0.133239,0.0247726,0.0225215],[-0.107919,0.0405681,-0.0199841,0.0115274],[-0.0538849,0.0652741,-0.00943503,-0.00261033],[-0.0306502,0.0581934,0.00546054,-0.00284652]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.98
S298 (cal/mol*K) = 1.06
G298 (kcal/mol) = 42.67

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(57); C7H10(153)(+M)=>C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.390e+00 -5.994e-01 -2.596e-01 -2.011e-02 / CHEB/ 1.417e+01 6.918e-01 1.064e-01 -3.842e-02 / CHEB/ -1.217e-01 1.332e-01 2.477e-02 2.252e-02 / CHEB/ -1.079e-01 4.057e-02 -1.998e-02 1.153e-02 / CHEB/ -5.388e-02 6.527e-02 -9.435e-03 -2.610e-03 / CHEB/ -3.065e-02 5.819e-02 5.461e-03 -2.847e-03 /

2544.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.6	-5.6	+0.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-5.3	+1.5	+4.5

Chebyshev(coeffs=[[-26.4418,0.4377,-0.196904,-0.0177171],[31.0605,0.853819,-0.0280855,0.00498326],[-0.598258,0.321225,0.0168491,-0.0299021],[-0.266248,0.0676753,0.0437392,-0.0106043],[-0.104902,-0.00285808,0.0280369,0.0076155],[-0.0472074,0.000216092,0.00517438,0.00788817]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.28
S298 (cal/mol*K) = 17.53
G298 (kcal/mol) = 78.05

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(204); C7H10(153)(+M)=>C7H10(204)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.644e+01 4.377e-01 -1.969e-01 -1.772e-02 / CHEB/ 3.106e+01 8.538e-01 -2.809e-02 4.983e-03 / CHEB/ -5.983e-01 3.212e-01 1.685e-02 -2.990e-02 / CHEB/ -2.662e-01 6.768e-02 4.374e-02 -1.060e-02 / CHEB/ -1.049e-01 -2.858e-03 2.804e-02 7.615e-03 / CHEB/ -4.721e-02 2.161e-04 5.174e-03 7.888e-03 /

2545.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.6	-5.6	+0.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-5.3	+1.5	+4.5

H298 (kcal/mol) = 83.28
S298 (cal/mol*K) = 16.16
G298 (kcal/mol) = 78.46

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H10(153), C7H10(205); C7H10(153)(+M)=>C7H10(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.644e+01 4.377e-01 -1.969e-01 -1.772e-02 / CHEB/ 3.106e+01 8.538e-01 -2.809e-02 4.983e-03 / CHEB/ -5.983e-01 3.212e-01 1.685e-02 -2.990e-02 / CHEB/ -2.662e-01 6.768e-02 4.374e-02 -1.060e-02 / CHEB/ -1.049e-01 -2.858e-03 2.804e-02 7.615e-03 / CHEB/ -4.721e-02 2.161e-04 5.174e-03 7.888e-03 /

2552.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-2.1	-0.0	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-1.2	+1.0	+1.9

Chebyshev(coeffs=[[-7.22388,1.91575,-0.0167456,-0.00412002],[7.79348,0.0406516,-0.00991026,-0.00273436],[0.47109,0.0134539,0.00218594,-0.00474941],[-0.0394029,0.00474726,0.00650201,0.00109392],[-0.0673011,-0.00127442,0.00114218,0.00126127],[-0.0152607,-0.00176908,-0.00152026,-0.000131919]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.64
S298 (cal/mol*K) = -10.92
G298 (kcal/mol) = 22.90

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H9(24); C7H10(38), H(25); C7H10(38)(+M)=>C7H9(24)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.224e+00 1.916e+00 -1.675e-02 -4.120e-03 / CHEB/ 7.793e+00 4.065e-02 -9.910e-03 -2.734e-03 / CHEB/ 4.711e-01 1.345e-02 2.186e-03 -4.749e-03 / CHEB/ -3.940e-02 4.747e-03 6.502e-03 1.094e-03 / CHEB/ -6.730e-02 -1.274e-03 1.142e-03 1.261e-03 / CHEB/ -1.526e-02 -1.769e-03 -1.520e-03 -1.319e-04 /

2553.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+4.5	+5.5	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+5.4	+6.4	+6.9

Chebyshev(coeffs=[[2.27512,1.84422,-0.0606529,-0.0380087],[3.31319,0.101176,0.0471747,0.0368252],[0.401721,0.0177647,-0.0101131,-0.00187165],[-0.0310496,0.00499583,-0.00158836,-0.00660152],[-0.0605038,-0.00105278,0.00383111,-0.00160937],[-0.0142493,-0.00222812,0.00112215,0.000677587]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.85
S298 (cal/mol*K) = -0.01
G298 (kcal/mol) = -0.85

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H9(5); C7H10(38), H(25); C7H10(38)(+M)=>C7H9(5)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.275e+00 1.844e+00 -6.065e-02 -3.801e-02 / CHEB/ 3.313e+00 1.012e-01 4.717e-02 3.683e-02 / CHEB/ 4.017e-01 1.776e-02 -1.011e-02 -1.872e-03 / CHEB/ -3.105e-02 4.996e-03 -1.588e-03 -6.602e-03 / CHEB/ -6.050e-02 -1.053e-03 3.831e-03 -1.609e-03 / CHEB/ -1.425e-02 -2.228e-03 1.122e-03 6.776e-04 /

2554.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	-4.8	-1.9	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-3.8	-0.9	+0.5

Chebyshev(coeffs=[[-11.9255,1.93054,-0.022207,-0.00171735],[11.0145,0.0324303,-0.00230153,-0.007963],[0.484155,0.00975935,0.00346574,-0.00219369],[-0.0242051,0.00250006,0.00381466,0.00187901],[-0.0593158,-0.00137867,9.90714e-06,0.000820706],[-0.0133107,-0.00141928,-0.00124396,-0.000457054]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.19
S298 (cal/mol*K) = -12.63
G298 (kcal/mol) = 33.96

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(26); C7H10(38)(+M)=>H(25)+C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.193e+01 1.931e+00 -2.221e-02 -1.717e-03 / CHEB/ 1.101e+01 3.243e-02 -2.302e-03 -7.963e-03 / CHEB/ 4.842e-01 9.759e-03 3.466e-03 -2.194e-03 / CHEB/ -2.421e-02 2.500e-03 3.815e-03 1.879e-03 / CHEB/ -5.932e-02 -1.379e-03 9.907e-06 8.207e-04 / CHEB/ -1.331e-02 -1.419e-03 -1.244e-03 -4.571e-04 /

2555.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-2.0	+0.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-1.0	+1.4	+2.5

Chebyshev(coeffs=[[-7.55735,1.91848,-0.0175287,-0.00303457],[8.63545,0.039219,-0.00901717,-0.00451477],[0.54041,0.0127085,0.00273588,-0.00423059],[-0.0173808,0.00431074,0.00605369,0.00135253],[-0.0597876,-0.00126931,0.000855005,0.00121417],[-0.012307,-0.00169747,-0.00148262,-0.000202653]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.99
S298 (cal/mol*K) = -13.73
G298 (kcal/mol) = 25.08

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(27); C7H10(38)(+M)=>H(25)+C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.557e+00 1.918e+00 -1.753e-02 -3.035e-03 / CHEB/ 8.635e+00 3.922e-02 -9.017e-03 -4.515e-03 / CHEB/ 5.404e-01 1.271e-02 2.736e-03 -4.231e-03 / CHEB/ -1.738e-02 4.311e-03 6.054e-03 1.353e-03 / CHEB/ -5.979e-02 -1.269e-03 8.550e-04 1.214e-03 / CHEB/ -1.231e-02 -1.697e-03 -1.483e-03 -2.027e-04 /

2556.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.2	+5.9	+6.4
log₁₀(k(10 bar)/[mole,m,s])	+4.8	+6.1	+6.8	+7.4

Chebyshev(coeffs=[[3.99272,1.78578,-0.0938898,-0.0526099],[2.00748,0.0435611,0.0231483,0.028365],[0.151967,0.0157161,-0.0106585,0.0020034],[0.0813478,0.0117498,-0.00801675,-0.00871434],[0.0673332,0.0100531,0.00180548,-0.00595581],[0.0458892,0.0145609,0.0105703,0.000802941]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.59
S298 (cal/mol*K) = -19.09
G298 (kcal/mol) = -17.89

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(28); C7H10(38)(+M)=>C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.993e+00 1.786e+00 -9.389e-02 -5.261e-02 / CHEB/ 2.007e+00 4.356e-02 2.315e-02 2.837e-02 / CHEB/ 1.520e-01 1.572e-02 -1.066e-02 2.003e-03 / CHEB/ 8.135e-02 1.175e-02 -8.017e-03 -8.714e-03 / CHEB/ 6.733e-02 1.005e-02 1.805e-03 -5.956e-03 / CHEB/ 4.589e-02 1.456e-02 1.057e-02 8.029e-04 /

2557.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+4.2	+5.4	+6.0
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+5.2	+6.4	+6.9

Chebyshev(coeffs=[[1.45019,1.87131,-0.0403204,-0.0279301],[4.15595,0.0815032,0.0252577,0.0279744],[0.466185,0.0107227,-0.0121924,-0.00632551],[-0.0452586,0.00948477,0.00556261,-0.00399559],[-0.0710735,-0.00102503,0.00427582,0.000148238],[-0.0179587,-0.00269829,-0.000469584,0.000778772]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.18
S298 (cal/mol*K) = -13.47
G298 (kcal/mol) = 3.83

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(29); C7H10(38)(+M)=>C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.450e+00 1.871e+00 -4.032e-02 -2.793e-02 / CHEB/ 4.156e+00 8.150e-02 2.526e-02 2.797e-02 / CHEB/ 4.662e-01 1.072e-02 -1.219e-02 -6.326e-03 / CHEB/ -4.526e-02 9.485e-03 5.563e-03 -3.996e-03 / CHEB/ -7.107e-02 -1.025e-03 4.276e-03 1.482e-04 / CHEB/ -1.796e-02 -2.698e-03 -4.696e-04 7.788e-04 /

2558.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+1.6	+3.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+2.5	+4.5	+5.4

Chebyshev(coeffs=[[-2.94512,1.90968,-0.0160199,-0.00702476],[6.92139,0.0426336,-0.0103038,0.00143797],[0.458081,0.0159213,0.000375238,-0.00514502],[-0.0107341,0.00615357,0.00717835,0.00021575],[-0.057959,-0.0014469,0.00201387,0.00103978],[-0.0181442,-0.00203531,-0.00147733,0.000115528]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.18
S298 (cal/mol*K) = -13.47
G298 (kcal/mol) = 3.83

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(30); C7H10(38)(+M)=>C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.945e+00 1.910e+00 -1.602e-02 -7.025e-03 / CHEB/ 6.921e+00 4.263e-02 -1.030e-02 1.438e-03 / CHEB/ 4.581e-01 1.592e-02 3.752e-04 -5.145e-03 / CHEB/ -1.073e-02 6.154e-03 7.178e-03 2.157e-04 / CHEB/ -5.796e-02 -1.447e-03 2.014e-03 1.040e-03 / CHEB/ -1.814e-02 -2.035e-03 -1.477e-03 1.155e-04 /

2559.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+4.4	+5.0	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+5.4	+5.9	+6.3

Chebyshev(coeffs=[[3.06473,1.8206,-0.0753603,-0.0454325],[2.05791,0.0853339,0.0420822,0.0344438],[0.131094,0.0209097,-0.00782138,0.00128444],[-0.013555,0.00183081,-0.00790038,-0.00843317],[-0.00475518,-0.00522138,-0.00163661,-0.00515529],[0.0225691,-0.00218799,0.00135078,-0.000729324]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.73
S298 (cal/mol*K) = -11.76
G298 (kcal/mol) = -7.23

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(31); C7H10(38)(+M)=>C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.065e+00 1.821e+00 -7.536e-02 -4.543e-02 / CHEB/ 2.058e+00 8.533e-02 4.208e-02 3.444e-02 / CHEB/ 1.311e-01 2.091e-02 -7.821e-03 1.284e-03 / CHEB/ -1.356e-02 1.831e-03 -7.900e-03 -8.433e-03 / CHEB/ -4.755e-03 -5.221e-03 -1.637e-03 -5.155e-03 / CHEB/ 2.257e-02 -2.188e-03 1.351e-03 -7.293e-04 /

2560.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+2.6	+3.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+3.5	+4.0	+4.1

Chebyshev(coeffs=[[0.935896,1.82463,-0.0727501,-0.0448988],[2.26613,0.100037,0.0527757,0.0386298],[0.0441595,0.0375173,0.00342698,0.00696218],[-0.088142,0.010293,-0.0029174,-0.00516371],[-0.0550641,-0.00422806,-0.00130848,-0.00426889],[-0.0106622,-0.00415269,0.000381353,-0.000760126]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.03
S298 (cal/mol*K) = -22.18
G298 (kcal/mol) = -6.42

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(32); C7H10(38)(+M)=>C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.359e-01 1.825e+00 -7.275e-02 -4.490e-02 / CHEB/ 2.266e+00 1.000e-01 5.278e-02 3.863e-02 / CHEB/ 4.416e-02 3.752e-02 3.427e-03 6.962e-03 / CHEB/ -8.814e-02 1.029e-02 -2.917e-03 -5.164e-03 / CHEB/ -5.506e-02 -4.228e-03 -1.308e-03 -4.269e-03 / CHEB/ -1.066e-02 -4.153e-03 3.814e-04 -7.601e-04 /

2561.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.5	+5.9	+6.1	+6.0
log₁₀(k(10 bar)/[mole,m,s])	+5.0	+6.5	+6.9	+6.9

Chebyshev(coeffs=[[4.64946,1.2288,-0.0192753,-0.0460701],[1.5082,0.271509,-0.0807297,0.0583663],[-0.0936531,0.287697,-0.0402556,-0.0431343],[-0.124415,0.0665333,0.0114183,-0.0140948],[-0.0456823,-0.0215942,0.019873,0.0111905],[-0.00979008,-0.0198775,0.0138649,0.00659048]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.43
S298 (cal/mol*K) = -29.18
G298 (kcal/mol) = -27.74

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(33); C7H10(38)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.649e+00 1.229e+00 -1.928e-02 -4.607e-02 / CHEB/ 1.508e+00 2.715e-01 -8.073e-02 5.837e-02 / CHEB/ -9.365e-02 2.877e-01 -4.026e-02 -4.313e-02 / CHEB/ -1.244e-01 6.653e-02 1.142e-02 -1.409e-02 / CHEB/ -4.568e-02 -2.159e-02 1.987e-02 1.119e-02 / CHEB/ -9.790e-03 -1.988e-02 1.386e-02 6.590e-03 /

2562.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+1.8	+2.4	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+2.7	+3.3	+3.5

Chebyshev(coeffs=[[-0.000588564,1.83082,-0.0691,-0.0428296],[2.52725,0.102139,0.0520907,0.0385798],[0.156329,0.0314672,-0.000869355,0.00428511],[-0.064572,0.00768542,-0.00321731,-0.00600376],[-0.0571483,-0.00343759,0.000384444,-0.00357228],[-0.0139669,-0.00314208,0.00109418,-0.000155726]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.03
S298 (cal/mol*K) = -23.56
G298 (kcal/mol) = -6.01

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(34); C7H10(38)(+M)=>C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.886e-04 1.831e+00 -6.910e-02 -4.283e-02 / CHEB/ 2.527e+00 1.021e-01 5.209e-02 3.858e-02 / CHEB/ 1.563e-01 3.147e-02 -8.694e-04 4.285e-03 / CHEB/ -6.457e-02 7.685e-03 -3.217e-03 -6.004e-03 / CHEB/ -5.715e-02 -3.438e-03 3.844e-04 -3.572e-03 / CHEB/ -1.397e-02 -3.142e-03 1.094e-03 -1.557e-04 /

2563.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+3.6	+4.1	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+4.6	+5.1	+5.3

Chebyshev(coeffs=[[2.00864,1.83488,-0.0664907,-0.0411599],[2.26485,0.100071,0.0488792,0.0374327],[0.148198,0.0232115,-0.0064116,0.00100879],[-0.0731025,0.00463674,-0.00382944,-0.00695189],[-0.0631608,-0.0030816,0.00148281,-0.00307457],[-0.0141649,-0.00273608,0.0011745,0.000140774]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.73
S298 (cal/mol*K) = -10.38
G298 (kcal/mol) = -7.64

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(35); C7H10(38)(+M)=>C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.009e+00 1.835e+00 -6.649e-02 -4.116e-02 / CHEB/ 2.265e+00 1.001e-01 4.888e-02 3.743e-02 / CHEB/ 1.482e-01 2.321e-02 -6.412e-03 1.009e-03 / CHEB/ -7.310e-02 4.637e-03 -3.829e-03 -6.952e-03 / CHEB/ -6.316e-02 -3.082e-03 1.483e-03 -3.075e-03 / CHEB/ -1.416e-02 -2.736e-03 1.174e-03 1.408e-04 /

2564.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+2.5	+5.5	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+3.5	+6.5	+7.9

Chebyshev(coeffs=[[-5.27781,1.9358,-0.0237677,-0.00237637],[11.8926,0.0293101,0.000539967,-0.00777066],[0.384325,0.00847299,0.00316193,-0.00150414],[-0.0483226,0.00185098,0.00296679,0.00185239],[-0.065676,-0.00142276,-0.000218892,0.000585004],[-0.0160834,-0.00136654,-0.00115872,-0.000533734]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.75
S298 (cal/mol*K) = 2.00
G298 (kcal/mol) = 31.15

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(36); C7H10(38)(+M)=>C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.278e+00 1.936e+00 -2.377e-02 -2.376e-03 / CHEB/ 1.189e+01 2.931e-02 5.400e-04 -7.771e-03 / CHEB/ 3.843e-01 8.473e-03 3.162e-03 -1.504e-03 / CHEB/ -4.832e-02 1.851e-03 2.967e-03 1.852e-03 / CHEB/ -6.568e-02 -1.423e-03 -2.189e-04 5.850e-04 / CHEB/ -1.608e-02 -1.367e-03 -1.159e-03 -5.337e-04 /

2565.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+3.5	+5.5	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+4.4	+6.5	+7.4

Chebyshev(coeffs=[[-1.22716,1.91051,-0.0171214,-0.00646152],[7.21794,0.0406684,-0.0113986,-5.94262e-05],[0.495096,0.0133163,0.000514704,-0.00577489],[-0.0341746,0.00553103,0.00705898,0.000596606],[-0.0659123,-0.000630643,0.00191803,0.00137446],[-0.0167179,-0.00116567,-0.0011637,0.000118651]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.92
S298 (cal/mol*K) = 1.01
G298 (kcal/mol) = 14.61

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(37); C7H10(38)(+M)=>C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.227e+00 1.911e+00 -1.712e-02 -6.462e-03 / CHEB/ 7.218e+00 4.067e-02 -1.140e-02 -5.943e-05 / CHEB/ 4.951e-01 1.332e-02 5.147e-04 -5.775e-03 / CHEB/ -3.417e-02 5.531e-03 7.059e-03 5.966e-04 / CHEB/ -6.591e-02 -6.306e-04 1.918e-03 1.374e-03 / CHEB/ -1.672e-02 -1.166e-03 -1.164e-03 1.187e-04 /

2566.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+5.9	+7.2	+7.8
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+6.9	+8.2	+8.8

Chebyshev(coeffs=[[3.13875,1.86098,-0.0473758,-0.031114],[4.24809,0.0935972,0.0347383,0.0316181],[0.529165,0.00879473,-0.0139407,-0.00596276],[-0.0216408,0.00892258,0.00419474,-0.00465674],[-0.0640236,-0.00049492,0.00469466,-8.9573e-05],[-0.0154774,-0.00267536,-0.000137691,0.000823555]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = 0.00

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(39); C7H10(38)(+M)=>C7H10(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.139e+00 1.861e+00 -4.738e-02 -3.111e-02 / CHEB/ 4.248e+00 9.360e-02 3.474e-02 3.162e-02 / CHEB/ 5.292e-01 8.795e-03 -1.394e-02 -5.963e-03 / CHEB/ -2.164e-02 8.923e-03 4.195e-03 -4.657e-03 / CHEB/ -6.402e-02 -4.949e-04 4.695e-03 -8.957e-05 / CHEB/ -1.548e-02 -2.675e-03 -1.377e-04 8.236e-04 /

2567.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-2.6	-0.7	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-2.4	-0.2	+0.7

Chebyshev(coeffs=[[-8.90777,0.712858,-0.284888,0.0341448],[8.8215,0.522745,-0.0182548,-0.0574021],[0.141119,0.1636,0.0585452,-0.0191024],[-0.171459,0.118152,0.0351439,-0.00374156],[-0.100227,0.0911698,0.016069,-0.00412733],[-0.0383662,0.0426428,0.0109587,-0.0015744]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.66
S298 (cal/mol*K) = -1.85
G298 (kcal/mol) = 23.21

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(44); C7H10(38)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.908e+00 7.129e-01 -2.849e-01 3.414e-02 / CHEB/ 8.821e+00 5.227e-01 -1.825e-02 -5.740e-02 / CHEB/ 1.411e-01 1.636e-01 5.855e-02 -1.910e-02 / CHEB/ -1.715e-01 1.182e-01 3.514e-02 -3.742e-03 / CHEB/ -1.002e-01 9.117e-02 1.607e-02 -4.127e-03 / CHEB/ -3.837e-02 4.264e-02 1.096e-02 -1.574e-03 /

2568.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-4.8	-2.1	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-14.1	-4.4	-1.4	-0.2

Chebyshev(coeffs=[[-13.8522,0.954183,-0.315978,0.00800189],[13.0274,0.481334,0.0522193,-0.0563558],[-0.0144079,0.135125,0.0672588,-0.00143582],[-0.218681,0.104454,0.0357506,0.00141928],[-0.116564,0.0789803,0.0194943,-0.0023952],[-0.0428776,0.0316446,0.011499,0.000376558]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.71
S298 (cal/mol*K) = 6.28
G298 (kcal/mol) = 35.84

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(45); C7H10(38)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.385e+01 9.542e-01 -3.160e-01 8.002e-03 / CHEB/ 1.303e+01 4.813e-01 5.222e-02 -5.636e-02 / CHEB/ -1.441e-02 1.351e-01 6.726e-02 -1.436e-03 / CHEB/ -2.187e-01 1.045e-01 3.575e-02 1.419e-03 / CHEB/ -1.166e-01 7.898e-02 1.949e-02 -2.395e-03 / CHEB/ -4.288e-02 3.164e-02 1.150e-02 3.766e-04 /

2569.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	-4.6	-2.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-4.2	-1.5	-0.3

Chebyshev(coeffs=[[-13.2467,0.924672,-0.314306,0.0120611],[12.3465,0.486969,0.0446448,-0.057979],[-0.0268184,0.138929,0.0669849,-0.00342804],[-0.22346,0.106746,0.0358253,0.000841342],[-0.118634,0.0810125,0.0191836,-0.00268749],[-0.0436305,0.0331454,0.0115853,0.000139709]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.66
S298 (cal/mol*K) = 5.36
G298 (kcal/mol) = 34.06

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(46); C7H10(38)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.325e+01 9.247e-01 -3.143e-01 1.206e-02 / CHEB/ 1.235e+01 4.870e-01 4.464e-02 -5.798e-02 / CHEB/ -2.682e-02 1.389e-01 6.698e-02 -3.428e-03 / CHEB/ -2.235e-01 1.067e-01 3.583e-02 8.413e-04 / CHEB/ -1.186e-01 8.101e-02 1.918e-02 -2.687e-03 / CHEB/ -4.363e-02 3.315e-02 1.159e-02 1.397e-04 /

2570.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.2	-8.7	-5.0	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-20.8	-8.1	-4.3	-2.7

Chebyshev(coeffs=[[-20.4878,1.17013,-0.30976,-0.022596],[17.2421,0.439744,0.0982936,-0.038494],[-0.0535843,0.100284,0.0628495,0.0118227],[-0.234543,0.0794807,0.0326203,0.00585622],[-0.122294,0.0618665,0.020054,-0.000133878],[-0.0428523,0.0215938,0.00984511,0.00156294]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.76
S298 (cal/mol*K) = 3.65
G298 (kcal/mol) = 50.67

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(47); C7H10(38)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.049e+01 1.170e+00 -3.098e-01 -2.260e-02 / CHEB/ 1.724e+01 4.397e-01 9.829e-02 -3.849e-02 / CHEB/ -5.358e-02 1.003e-01 6.285e-02 1.182e-02 / CHEB/ -2.345e-01 7.948e-02 3.262e-02 5.856e-03 / CHEB/ -1.223e-01 6.187e-02 2.005e-02 -1.339e-04 / CHEB/ -4.285e-02 2.159e-02 9.845e-03 1.563e-03 /

2571.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-0.7	+0.4	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-5.1	-0.6	+0.8	+1.4

Chebyshev(coeffs=[[-4.82633,0.536467,-0.248935,0.030174],[5.49292,0.554629,-0.064149,-0.0283758],[0.149646,0.182019,0.0389542,-0.032714],[-0.173492,0.120979,0.0331138,-0.00939978],[-0.0960705,0.0929644,0.0138571,-0.00449067],[-0.0358061,0.047692,0.00942611,-0.00259368]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.13
S298 (cal/mol*K) = -13.76
G298 (kcal/mol) = 9.23

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(48); C7H10(38)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.826e+00 5.365e-01 -2.489e-01 3.017e-02 / CHEB/ 5.493e+00 5.546e-01 -6.415e-02 -2.838e-02 / CHEB/ 1.496e-01 1.820e-01 3.895e-02 -3.271e-02 / CHEB/ -1.735e-01 1.210e-01 3.311e-02 -9.400e-03 / CHEB/ -9.607e-02 9.296e-02 1.386e-02 -4.491e-03 / CHEB/ -3.581e-02 4.769e-02 9.426e-03 -2.594e-03 /

2572.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-1.9	-0.1	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-1.7	+0.4	+1.3

Chebyshev(coeffs=[[-7.94423,0.691298,-0.280519,0.0352836],[8.40636,0.525116,-0.0249398,-0.0556809],[0.137572,0.166292,0.0568011,-0.0207914],[-0.16951,0.119105,0.0348804,-0.00433873],[-0.0987958,0.0916366,0.0157703,-0.00421395],[-0.0383017,0.0433592,0.0108039,-0.00172519]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.13
S298 (cal/mol*K) = -13.76
G298 (kcal/mol) = 9.23

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(49); C7H10(38)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.944e+00 6.913e-01 -2.805e-01 3.528e-02 / CHEB/ 8.406e+00 5.251e-01 -2.494e-02 -5.568e-02 / CHEB/ 1.376e-01 1.663e-01 5.680e-02 -2.079e-02 / CHEB/ -1.695e-01 1.191e-01 3.488e-02 -4.339e-03 / CHEB/ -9.880e-02 9.164e-02 1.577e-02 -4.214e-03 / CHEB/ -3.830e-02 4.336e-02 1.080e-02 -1.725e-03 /

2573.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	-1.3	+0.3	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-1.1	+0.7	+1.6

Chebyshev(coeffs=[[-6.33543,0.620178,-0.263029,0.0351451],[7.05185,0.548288,-0.0471498,-0.046281],[0.133298,0.177511,0.0511596,-0.0269783],[-0.135573,0.119513,0.0355308,-0.00605583],[-0.029116,0.0911942,0.0153862,-0.00392624],[-0.0293136,0.0450668,0.0102799,-0.0019672]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.43
S298 (cal/mol*K) = -14.49
G298 (kcal/mol) = 4.75

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(50); C7H10(38)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.335e+00 6.202e-01 -2.630e-01 3.515e-02 / CHEB/ 7.052e+00 5.483e-01 -4.715e-02 -4.628e-02 / CHEB/ 1.333e-01 1.775e-01 5.116e-02 -2.698e-02 / CHEB/ -1.356e-01 1.195e-01 3.553e-02 -6.056e-03 / CHEB/ -2.912e-02 9.119e-02 1.539e-02 -3.926e-03 / CHEB/ -2.931e-02 4.507e-02 1.028e-02 -1.967e-03 /

2574.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	-0.7	+0.1	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-3.8	-0.6	+0.4	+0.9

Chebyshev(coeffs=[[-3.55462,0.395796,-0.249208,0.012162],[3.66806,0.593962,-0.0512622,0.00688507],[0.165464,0.187274,0.0116243,-0.0362304],[-0.155305,0.120947,0.0252609,-0.0160576],[-0.0842803,0.0927861,0.0136512,-0.00558127],[-0.0297069,0.0493958,0.00883641,-0.0030422]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.43
S298 (cal/mol*K) = -14.49
G298 (kcal/mol) = 4.75

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(51); C7H10(38)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.555e+00 3.958e-01 -2.492e-01 1.216e-02 / CHEB/ 3.668e+00 5.940e-01 -5.126e-02 6.885e-03 / CHEB/ 1.655e-01 1.873e-01 1.162e-02 -3.623e-02 / CHEB/ -1.553e-01 1.209e-01 2.526e-02 -1.606e-02 / CHEB/ -8.428e-02 9.279e-02 1.365e-02 -5.581e-03 / CHEB/ -2.971e-02 4.940e-02 8.836e-03 -3.042e-03 /

2575.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	-0.7	+0.2	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-0.7	+0.5	+0.8

Chebyshev(coeffs=[[-3.9386,0.337207,-0.229193,0.00263615],[4.08641,0.512496,-0.047293,-0.00451184],[0.241467,0.199269,-0.0014648,-0.0326067],[-0.219287,0.182091,0.0131343,-0.00668805],[-0.147083,0.131348,0.0146705,-0.00128165],[-0.064482,0.047576,0.0173337,-0.00122346]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.03
S298 (cal/mol*K) = -14.49
G298 (kcal/mol) = 6.35

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(52); C7H10(38)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.939e+00 3.372e-01 -2.292e-01 2.636e-03 / CHEB/ 4.086e+00 5.125e-01 -4.729e-02 -4.512e-03 / CHEB/ 2.415e-01 1.993e-01 -1.465e-03 -3.261e-02 / CHEB/ -2.193e-01 1.821e-01 1.313e-02 -6.688e-03 / CHEB/ -1.471e-01 1.313e-01 1.467e-02 -1.282e-03 / CHEB/ -6.448e-02 4.758e-02 1.733e-02 -1.223e-03 /

2576.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+2.8	+3.7	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+2.8	+4.1	+4.6

Chebyshev(coeffs=[[-0.580994,0.434391,-0.247847,0.0165068],[4.34971,0.594805,-0.0564555,-0.00119963],[0.236324,0.178593,0.017936,-0.0379327],[-0.158963,0.123014,0.030568,-0.0134666],[-0.0846766,0.0932136,0.0135204,-0.00484942],[-0.029838,0.0486762,0.00867325,-0.00297276]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.70
S298 (cal/mol*K) = -4.88
G298 (kcal/mol) = 5.15

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(53); C7H10(38)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.810e-01 4.344e-01 -2.478e-01 1.651e-02 / CHEB/ 4.350e+00 5.948e-01 -5.646e-02 -1.200e-03 / CHEB/ 2.363e-01 1.786e-01 1.794e-02 -3.793e-02 / CHEB/ -1.590e-01 1.230e-01 3.057e-02 -1.347e-02 / CHEB/ -8.468e-02 9.321e-02 1.352e-02 -4.849e-03 / CHEB/ -2.984e-02 4.868e-02 8.673e-03 -2.973e-03 /

2577.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+0.1	+1.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+0.4	+2.6	+3.6

Chebyshev(coeffs=[[-5.34155,0.745739,-0.222327,0.0423941],[7.78429,0.712594,0.0300476,-0.0381602],[0.36029,0.244392,0.0843025,-0.0203257],[-0.109372,0.107128,0.030316,-0.00513143],[-0.0929259,0.043852,-0.00457351,-0.00533947],[-0.0446875,0.00113089,-0.00604277,-0.00237677]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.03
S298 (cal/mol*K) = -4.15
G298 (kcal/mol) = 16.26

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(54); C7H10(38)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.342e+00 7.457e-01 -2.223e-01 4.239e-02 / CHEB/ 7.784e+00 7.126e-01 3.005e-02 -3.816e-02 / CHEB/ 3.603e-01 2.444e-01 8.430e-02 -2.033e-02 / CHEB/ -1.094e-01 1.071e-01 3.032e-02 -5.131e-03 / CHEB/ -9.293e-02 4.385e-02 -4.574e-03 -5.339e-03 / CHEB/ -4.469e-02 1.131e-03 -6.043e-03 -2.377e-03 /

2578.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	+1.6	+2.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+1.7	+3.2	+3.9

Chebyshev(coeffs=[[-2.47326,0.511784,-0.245355,0.0253362],[5.44528,0.577055,-0.0646522,-0.0201972],[0.290689,0.185854,0.0354643,-0.0354021],[-0.154026,0.122408,0.0343185,-0.0102873],[-0.0947712,0.0934035,0.014381,-0.00413231],[-0.0365026,0.047996,0.00954127,-0.00242628]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.12
S298 (cal/mol*K) = -8.99
G298 (kcal/mol) = 9.80

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(55); C7H10(38)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.473e+00 5.118e-01 -2.454e-01 2.534e-02 / CHEB/ 5.445e+00 5.771e-01 -6.465e-02 -2.020e-02 / CHEB/ 2.907e-01 1.859e-01 3.546e-02 -3.540e-02 / CHEB/ -1.540e-01 1.224e-01 3.432e-02 -1.029e-02 / CHEB/ -9.477e-02 9.340e-02 1.438e-02 -4.132e-03 / CHEB/ -3.650e-02 4.800e-02 9.541e-03 -2.426e-03 /

2579.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-0.3	+2.1	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-8.4	+0.1	+2.7	+3.9

Chebyshev(coeffs=[[-8.05996,0.851967,-0.306023,0.0214933],[11.1396,0.508989,0.0245307,-0.0611146],[0.110174,0.149857,0.06675,-0.00862889],[-0.167364,0.111094,0.0363951,-0.000211951],[-0.105356,0.084368,0.0183337,-0.00298283],[-0.0288092,0.0357138,0.0116378,-0.000265745]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.34
S298 (cal/mol*K) = -3.25
G298 (kcal/mol) = 11.30

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(56); C7H10(38)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.060e+00 8.520e-01 -3.060e-01 2.149e-02 / CHEB/ 1.114e+01 5.090e-01 2.453e-02 -6.111e-02 / CHEB/ 1.102e-01 1.499e-01 6.675e-02 -8.629e-03 / CHEB/ -1.674e-01 1.111e-01 3.640e-02 -2.120e-04 / CHEB/ -1.054e-01 8.437e-02 1.833e-02 -2.983e-03 / CHEB/ -2.881e-02 3.571e-02 1.164e-02 -2.657e-04 /

2580.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	+1.0	+3.4	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-6.2	+1.7	+4.3	+5.4

Chebyshev(coeffs=[[-5.1788,0.813847,-0.155956,0.00913739],[9.11521,0.99248,-0.0117502,-0.0408573],[0.661104,0.267119,0.100899,-0.0204238],[-0.0868933,-0.0442568,0.0568797,0.0189871],[-0.107824,-0.0810198,-0.0066569,0.0184398],[-0.0353122,-0.035636,-0.0229367,0.00128553]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.75
S298 (cal/mol*K) = 0.23
G298 (kcal/mol) = 8.68

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(247); C7H10(38)(+M)=>H(25)+C7H9(247)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.179e+00 8.138e-01 -1.560e-01 9.137e-03 / CHEB/ 9.115e+00 9.925e-01 -1.175e-02 -4.086e-02 / CHEB/ 6.611e-01 2.671e-01 1.009e-01 -2.042e-02 / CHEB/ -8.689e-02 -4.426e-02 5.688e-02 1.899e-02 / CHEB/ -1.078e-01 -8.102e-02 -6.657e-03 1.844e-02 / CHEB/ -3.531e-02 -3.564e-02 -2.294e-02 1.286e-03 /

2581.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-2.4	+0.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-1.5	+1.9	+3.6

Chebyshev(coeffs=[[-10.6275,1.04001,-0.202856,0.0142794],[12.5867,0.892154,0.0822111,-0.0595708],[0.700558,0.15526,0.107157,0.00638487],[-0.0240827,-0.0702483,0.0206864,0.0259915],[-0.0609265,-0.0654988,-0.0245563,0.00758252],[-0.0197237,-0.0198334,-0.0189741,-0.00611358]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.15
S298 (cal/mol*K) = 7.23
G298 (kcal/mol) = 30.00

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(248); C7H10(38)(+M)=>H(25)+C7H9(248)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.063e+01 1.040e+00 -2.029e-01 1.428e-02 / CHEB/ 1.259e+01 8.922e-01 8.221e-02 -5.957e-02 / CHEB/ 7.006e-01 1.553e-01 1.072e-01 6.385e-03 / CHEB/ -2.408e-02 -7.025e-02 2.069e-02 2.599e-02 / CHEB/ -6.093e-02 -6.550e-02 -2.456e-02 7.583e-03 / CHEB/ -1.972e-02 -1.983e-02 -1.897e-02 -6.114e-03 /

2582.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-2.4	+0.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-1.5	+1.9	+3.6

H298 (kcal/mol) = 32.15
S298 (cal/mol*K) = 7.23
G298 (kcal/mol) = 30.00

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(249); C7H10(38)(+M)=>H(25)+C7H9(249)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.063e+01 1.040e+00 -2.029e-01 1.428e-02 / CHEB/ 1.259e+01 8.922e-01 8.221e-02 -5.957e-02 / CHEB/ 7.006e-01 1.553e-01 1.072e-01 6.385e-03 / CHEB/ -2.408e-02 -7.025e-02 2.069e-02 2.599e-02 / CHEB/ -6.093e-02 -6.550e-02 -2.456e-02 7.583e-03 / CHEB/ -1.972e-02 -1.983e-02 -1.897e-02 -6.114e-03 /

2583.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-2.9	+0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-2.1	+1.0	+2.4

Chebyshev(coeffs=[[-10.0769,0.932301,-0.178377,0.0134598],[10.8885,0.963329,0.034497,-0.0526893],[0.730374,0.194176,0.112456,-0.00701564],[-0.0449129,-0.0665211,0.0358754,0.0260417],[-0.0673474,-0.0733746,-0.0199955,0.0129927],[-0.0207508,-0.0249277,-0.0218523,-0.00405859]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.18
S298 (cal/mol*K) = -13.47
G298 (kcal/mol) = 3.83

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(250); C7H10(38)(+M)=>C7H10(250)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.008e+01 9.323e-01 -1.784e-01 1.346e-02 / CHEB/ 1.089e+01 9.633e-01 3.450e-02 -5.269e-02 / CHEB/ 7.304e-01 1.942e-01 1.125e-01 -7.016e-03 / CHEB/ -4.491e-02 -6.652e-02 3.588e-02 2.604e-02 / CHEB/ -6.735e-02 -7.337e-02 -2.000e-02 1.299e-02 / CHEB/ -2.075e-02 -2.493e-02 -2.185e-02 -4.059e-03 /

2584.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+3.6	+5.9	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+4.3	+6.8	+7.9

Chebyshev(coeffs=[[-2.27321,0.804041,-0.154921,0.00890766],[8.72564,0.990731,-0.014978,-0.0402021],[0.577283,0.27439,0.0988951,-0.0213889],[-0.0660838,-0.0403929,0.0582877,0.0180362],[-0.075785,-0.081617,-0.00492619,0.0187226],[-0.0187224,-0.0371682,-0.0225981,0.00192087]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.81
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = 5.57

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(115); C7H10(38)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.273e+00 8.040e-01 -1.549e-01 8.908e-03 / CHEB/ 8.726e+00 9.907e-01 -1.498e-02 -4.020e-02 / CHEB/ 5.773e-01 2.744e-01 9.890e-02 -2.139e-02 / CHEB/ -6.608e-02 -4.039e-02 5.829e-02 1.804e-02 / CHEB/ -7.579e-02 -8.162e-02 -4.926e-03 1.872e-02 / CHEB/ -1.872e-02 -3.717e-02 -2.260e-02 1.921e-03 /

2585.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+6.3	+7.7	+8.2
log₁₀(k(10 bar)/[mole,m,s])	+0.7	+6.9	+8.6	+9.2

Chebyshev(coeffs=[[1.78028,0.423971,-0.0971348,-0.0406309],[6.13883,1.36376,-0.108784,0.0374284],[0.69879,0.187966,0.0625846,-0.0562992],[-0.385184,-0.026632,0.105465,0.00729893],[-0.0707121,0.00876719,-0.00349412,0.0214838],[0.0164226,-0.0731054,-0.0231647,0.00539902]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.83
S298 (cal/mol*K) = -3.18
G298 (kcal/mol) = -18.89

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(108); C7H10(38)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.780e+00 4.240e-01 -9.713e-02 -4.063e-02 / CHEB/ 6.139e+00 1.364e+00 -1.088e-01 3.743e-02 / CHEB/ 6.988e-01 1.880e-01 6.258e-02 -5.630e-02 / CHEB/ -3.852e-01 -2.663e-02 1.055e-01 7.299e-03 / CHEB/ -7.071e-02 8.767e-03 -3.494e-03 2.148e-02 / CHEB/ 1.642e-02 -7.311e-02 -2.316e-02 5.399e-03 /

2586.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	+2.2	+5.0	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-5.7	+3.0	+5.9	+7.2

Chebyshev(coeffs=[[-4.67202,0.910216,-0.173336,0.0126899],[10.3674,0.974209,0.0249606,-0.0504537],[0.693018,0.205119,0.111912,-0.00977867],[-0.0587205,-0.0649931,0.0396507,0.0254038],[-0.0725341,-0.0751041,-0.0184324,0.0141529],[-0.0218847,-0.0261859,-0.0224281,-0.00335833]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.18
S298 (cal/mol*K) = 4.97
G298 (kcal/mol) = 17.69

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(88); C7H10(38)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.672e+00 9.102e-01 -1.733e-01 1.269e-02 / CHEB/ 1.037e+01 9.742e-01 2.496e-02 -5.045e-02 / CHEB/ 6.930e-01 2.051e-01 1.119e-01 -9.779e-03 / CHEB/ -5.872e-02 -6.499e-02 3.965e-02 2.540e-02 / CHEB/ -7.253e-02 -7.510e-02 -1.843e-02 1.415e-02 / CHEB/ -2.188e-02 -2.619e-02 -2.243e-02 -3.358e-03 /

2587.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+3.7	+6.5	+8.0
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+4.5	+7.5	+8.9

Chebyshev(coeffs=[[-3.05836,0.896326,-0.16821,0.011503],[10.2531,0.987419,0.0178801,-0.047674],[0.817445,0.208403,0.112943,-0.0117467],[-0.0144409,-0.0655384,0.0412473,0.0253256],[-0.0828147,-0.0765315,-0.0183118,0.014777],[-0.00211383,-0.0270709,-0.0227613,-0.00313875]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.17
S298 (cal/mol*K) = -1.00
G298 (kcal/mol) = 0.47

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(251); C7H10(38)(+M)=>C7H10(251)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.058e+00 8.963e-01 -1.682e-01 1.150e-02 / CHEB/ 1.025e+01 9.874e-01 1.788e-02 -4.767e-02 / CHEB/ 8.174e-01 2.084e-01 1.129e-01 -1.175e-02 / CHEB/ -1.444e-02 -6.554e-02 4.125e-02 2.533e-02 / CHEB/ -8.281e-02 -7.653e-02 -1.831e-02 1.478e-02 / CHEB/ -2.114e-03 -2.707e-02 -2.276e-02 -3.139e-03 /

2588.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+4.7	+6.1	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+5.3	+7.0	+7.5

Chebyshev(coeffs=[[-0.286649,0.712428,-0.153268,0.00870681],[7.00133,0.936751,-0.0422162,-0.0362894],[0.0811428,0.334308,0.0752764,-0.0288098],[-0.16284,0.0144511,0.0665376,0.00719888],[-0.0967643,-0.0685378,0.0135363,0.0175055],[-0.0179255,-0.0476101,-0.0146102,0.00734871]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.36
S298 (cal/mol*K) = -11.75
G298 (kcal/mol) = -48.86

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(252); C7H10(38)(+M)=>C7H10(252)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.866e-01 7.124e-01 -1.533e-01 8.707e-03 / CHEB/ 7.001e+00 9.368e-01 -4.222e-02 -3.629e-02 / CHEB/ 8.114e-02 3.343e-01 7.528e-02 -2.881e-02 / CHEB/ -1.628e-01 1.445e-02 6.654e-02 7.199e-03 / CHEB/ -9.676e-02 -6.854e-02 1.354e-02 1.751e-02 / CHEB/ -1.793e-02 -4.761e-02 -1.461e-02 7.349e-03 /

2589.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-4.6	-1.6	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-3.8	-0.6	+0.8

Chebyshev(coeffs=[[-12.9817,1.11394,-0.216558,0.0108623],[12.5647,0.834848,0.111795,-0.0581408],[0.405873,0.134537,0.100089,0.0137331],[-0.0891125,-0.0700213,0.0118167,0.0242667],[-0.0813966,-0.0606457,-0.0258188,0.00425634],[-0.0278514,-0.0168889,-0.0168998,-0.00680347]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.67
S298 (cal/mol*K) = -15.87
G298 (kcal/mol) = 4.06

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(253); C7H10(38)(+M)=>C7H10(253)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.298e+01 1.114e+00 -2.166e-01 1.086e-02 / CHEB/ 1.256e+01 8.348e-01 1.118e-01 -5.814e-02 / CHEB/ 4.059e-01 1.345e-01 1.001e-01 1.373e-02 / CHEB/ -8.911e-02 -7.002e-02 1.182e-02 2.427e-02 / CHEB/ -8.140e-02 -6.065e-02 -2.582e-02 4.256e-03 / CHEB/ -2.785e-02 -1.689e-02 -1.690e-02 -6.803e-03 /

2590.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+4.2	+5.6	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+4.8	+6.5	+7.0

Chebyshev(coeffs=[[-0.685926,0.741629,-0.152495,0.00857901],[6.86028,0.959762,-0.033414,-0.037278],[0.115755,0.319316,0.0833453,-0.0265958],[-0.160651,-0.00492863,0.06536,0.0108024],[-0.100603,-0.0759596,0.00785697,0.0185566],[-0.022634,-0.0456777,-0.0180615,0.00590226]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.98
S298 (cal/mol*K) = -12.47
G298 (kcal/mol) = -4.26

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(254); C7H10(38)(+M)=>C7H10(254)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.859e-01 7.416e-01 -1.525e-01 8.579e-03 / CHEB/ 6.860e+00 9.598e-01 -3.341e-02 -3.728e-02 / CHEB/ 1.158e-01 3.193e-01 8.335e-02 -2.660e-02 / CHEB/ -1.607e-01 -4.929e-03 6.536e-02 1.080e-02 / CHEB/ -1.006e-01 -7.596e-02 7.857e-03 1.856e-02 / CHEB/ -2.263e-02 -4.568e-02 -1.806e-02 5.902e-03 /

2591.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.8	+9.2	+9.3	+9.1
log₁₀(k(10 bar)/[mole,m,s])	+8.5	+9.9	+10.1	+10.0

Chebyshev(coeffs=[[7.97039,1.39916,-0.0633515,-0.073713],[1.33839,0.182918,-0.0605059,0.078884],[-0.0447778,0.15255,-0.0287999,-0.0168655],[-0.141821,0.0583834,0.0194541,-0.0270525],[-0.0933206,0.0088745,0.0307548,-0.000905866],[-0.0256966,-0.00539326,0.0104343,0.00877117]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.11
S298 (cal/mol*K) = -11.03
G298 (kcal/mol) = -10.83

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(57); C7H10(38)(+M)=>C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.970e+00 1.399e+00 -6.335e-02 -7.371e-02 / CHEB/ 1.338e+00 1.829e-01 -6.051e-02 7.888e-02 / CHEB/ -4.478e-02 1.526e-01 -2.880e-02 -1.687e-02 / CHEB/ -1.418e-01 5.838e-02 1.945e-02 -2.705e-02 / CHEB/ -9.332e-02 8.874e-03 3.075e-02 -9.059e-04 / CHEB/ -2.570e-02 -5.393e-03 1.043e-02 8.771e-03 /

2592.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+3.5	+4.9	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+4.1	+5.7	+6.2

Chebyshev(coeffs=[[-1.68691,0.758275,-0.450212,-0.0784596],[7.02729,0.944265,0.22733,-0.0177346],[0.245595,0.0777,0.0567072,0.0115383],[-0.201554,-0.0679222,-0.00422465,0.00843877],[-0.140285,-0.0112217,0.000344039,0.0061601],[-0.0464056,0.0182624,0.00567615,0.00243726]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.37
S298 (cal/mol*K) = -0.74
G298 (kcal/mol) = 14.59

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(58); C7H10(38)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.687e+00 7.583e-01 -4.502e-01 -7.846e-02 / CHEB/ 7.027e+00 9.443e-01 2.273e-01 -1.773e-02 / CHEB/ 2.456e-01 7.770e-02 5.671e-02 1.154e-02 / CHEB/ -2.016e-01 -6.792e-02 -4.225e-03 8.439e-03 / CHEB/ -1.403e-01 -1.122e-02 3.440e-04 6.160e-03 / CHEB/ -4.641e-02 1.826e-02 5.676e-03 2.437e-03 /

2593.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-0.8	+1.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-7.9	+0.0	+2.4	+3.4

Chebyshev(coeffs=[[-7.73074,1.56187,-0.167848,-0.0144668],[10.1071,0.271811,0.0480691,-0.042153],[0.290859,0.0810147,0.0522574,0.0147828],[-0.145199,-0.00123236,0.0136898,0.0151726],[-0.117802,-0.00188811,0.0014347,0.00430003],[-0.0397517,0.00507068,0.000265331,-0.00139239]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.50
S298 (cal/mol*K) = -4.78
G298 (kcal/mol) = -8.08

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(59); C7H10(38)(+M)=>C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.731e+00 1.562e+00 -1.678e-01 -1.447e-02 / CHEB/ 1.011e+01 2.718e-01 4.807e-02 -4.215e-02 / CHEB/ 2.909e-01 8.101e-02 5.226e-02 1.478e-02 / CHEB/ -1.452e-01 -1.232e-03 1.369e-02 1.517e-02 / CHEB/ -1.178e-01 -1.888e-03 1.435e-03 4.300e-03 / CHEB/ -3.975e-02 5.071e-03 2.653e-04 -1.392e-03 /

2594.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+5.0	+6.7	+7.4
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+5.8	+7.6	+8.3

Chebyshev(coeffs=[[0.531773,1.47776,-0.0920724,0.00151156],[6.47421,0.300016,-0.0653824,-0.0418361],[0.535436,0.119258,0.0610221,-0.0143579],[-0.0944823,0.00684967,0.0361794,0.0185599],[-0.104861,-0.00754346,0.00503761,0.0135987],[-0.0353515,0.00162082,-0.00364893,0.000149598]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.07
S298 (cal/mol*K) = 16.42
G298 (kcal/mol) = 5.18

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(60); C7H10(38)(+M)=>H(25)+C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.318e-01 1.478e+00 -9.207e-02 1.512e-03 / CHEB/ 6.474e+00 3.000e-01 -6.538e-02 -4.184e-02 / CHEB/ 5.354e-01 1.193e-01 6.102e-02 -1.436e-02 / CHEB/ -9.448e-02 6.850e-03 3.618e-02 1.856e-02 / CHEB/ -1.049e-01 -7.543e-03 5.038e-03 1.360e-02 / CHEB/ -3.535e-02 1.621e-03 -3.649e-03 1.496e-04 /

2595.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-1.2	+2.9	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-0.3	+3.8	+5.7

Chebyshev(coeffs=[[-12.6346,1.7227,-0.156803,-0.0568151],[17.2421,0.179425,0.0886231,0.0195128],[0.321038,0.0535413,0.0336185,0.0151241],[-0.133035,-0.00404927,0.00189345,0.00475688],[-0.104119,0.00036851,0.00034221,0.000404444],[-0.027136,0.00137201,0.000139421,-0.000544673]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.05
S298 (cal/mol*K) = 23.62
G298 (kcal/mol) = 40.01

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(61); C7H10(38)(+M)=>H(25)+C7H9(61)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.263e+01 1.723e+00 -1.568e-01 -5.682e-02 / CHEB/ 1.724e+01 1.794e-01 8.862e-02 1.951e-02 / CHEB/ 3.210e-01 5.354e-02 3.362e-02 1.512e-02 / CHEB/ -1.330e-01 -4.049e-03 1.893e-03 4.757e-03 / CHEB/ -1.041e-01 3.685e-04 3.422e-04 4.044e-04 / CHEB/ -2.714e-02 1.372e-03 1.394e-04 -5.447e-04 /

2596.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+4.9	+6.8	+7.5
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+5.7	+7.7	+8.5

Chebyshev(coeffs=[[-0.436176,1.50306,-0.128272,0.00441629],[7.73596,0.297072,-0.016927,-0.0561032],[0.407998,0.102125,0.0609268,0.000849661],[-0.109239,0.0022391,0.0254937,0.0190514],[-0.104905,-0.00549446,0.00277081,0.00939175],[-0.033076,0.00341075,-0.00186917,-0.00112796]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.03
S298 (cal/mol*K) = 31.47
G298 (kcal/mol) = 6.65

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C2H4(115); C7H10(38), C5H6(62); C7H10(38)(+M)=>C2H4(115)+C5H6(62)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.362e-01 1.503e+00 -1.283e-01 4.416e-03 / CHEB/ 7.736e+00 2.971e-01 -1.693e-02 -5.610e-02 / CHEB/ 4.080e-01 1.021e-01 6.093e-02 8.497e-04 / CHEB/ -1.092e-01 2.239e-03 2.549e-02 1.905e-02 / CHEB/ -1.049e-01 -5.494e-03 2.771e-03 9.392e-03 / CHEB/ -3.308e-02 3.411e-03 -1.869e-03 -1.128e-03 /

2597.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+6.8	+7.9	+8.3
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+7.5	+8.8	+9.2

Chebyshev(coeffs=[[3.83906,1.44333,-0.0580534,-0.0373819],[4.08367,0.268069,-0.0958281,0.028592],[0.522277,0.144238,0.0193754,-0.0425932],[-0.105284,0.025936,0.0535146,0.00364612],[-0.104485,-0.00839233,0.0182188,0.0191697],[-0.0325097,-0.00276624,-0.00492087,0.00581002]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.72
S298 (cal/mol*K) = -7.81
G298 (kcal/mol) = -32.40

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(63); C7H10(38)(+M)=>C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.839e+00 1.443e+00 -5.805e-02 -3.738e-02 / CHEB/ 4.084e+00 2.681e-01 -9.583e-02 2.859e-02 / CHEB/ 5.223e-01 1.442e-01 1.938e-02 -4.259e-02 / CHEB/ -1.053e-01 2.594e-02 5.351e-02 3.646e-03 / CHEB/ -1.045e-01 -8.392e-03 1.822e-02 1.917e-02 / CHEB/ -3.251e-02 -2.766e-03 -4.921e-03 5.810e-03 /

2598.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	+2.0	+4.8	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+2.9	+5.7	+6.9

Chebyshev(coeffs=[[-5.76446,1.59846,-0.17299,-0.0264245],[11.5607,0.262738,0.0698168,-0.0280089],[0.400318,0.0718418,0.0491288,0.0191839],[-0.116447,-0.00352001,0.00917787,0.0125735],[-0.108009,-0.00123323,0.000489428,0.00234603],[-0.0356484,0.00466723,0.000594103,-0.0012753]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.78
S298 (cal/mol*K) = 0.60
G298 (kcal/mol) = 9.60

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(64); C7H10(38)(+M)=>C7H10(64)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.764e+00 1.598e+00 -1.730e-01 -2.642e-02 / CHEB/ 1.156e+01 2.627e-01 6.982e-02 -2.801e-02 / CHEB/ 4.003e-01 7.184e-02 4.913e-02 1.918e-02 / CHEB/ -1.164e-01 -3.520e-03 9.178e-03 1.257e-02 / CHEB/ -1.080e-01 -1.233e-03 4.894e-04 2.346e-03 / CHEB/ -3.565e-02 4.667e-03 5.941e-04 -1.275e-03 /

2599.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+2.5	+4.9	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+3.3	+5.8	+6.8

Chebyshev(coeffs=[[-4.1763,1.55302,-0.16131,-0.00990342],[9.80996,0.282745,0.0394891,-0.0468668],[0.393431,0.0838952,0.0556149,0.014257],[-0.12275,-0.00181414,0.0150226,0.0164249],[-0.114898,-0.002766,0.00102415,0.00468818],[-0.0375569,0.00475244,-0.000197859,-0.00163058]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.32
S298 (cal/mol*K) = -2.19
G298 (kcal/mol) = -10.67

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(65); C7H10(38)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.176e+00 1.553e+00 -1.613e-01 -9.903e-03 / CHEB/ 9.810e+00 2.827e-01 3.949e-02 -4.687e-02 / CHEB/ 3.934e-01 8.390e-02 5.561e-02 1.426e-02 / CHEB/ -1.228e-01 -1.814e-03 1.502e-02 1.642e-02 / CHEB/ -1.149e-01 -2.766e-03 1.024e-03 4.688e-03 / CHEB/ -3.756e-02 4.752e-03 -1.979e-04 -1.631e-03 /

2600.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-2.0	+1.7	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-1.1	+2.7	+4.3

Chebyshev(coeffs=[[-12.8107,1.70469,-0.162965,-0.0554706],[16.16,0.189503,0.0891889,0.0152591],[0.264381,0.0556254,0.0351222,0.0158081],[-0.144201,-0.00340469,0.00281528,0.0055605],[-0.103371,0.000766147,0.000689749,0.000689807],[-0.0316407,0.00236202,0.000608519,-0.000444846]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.58
S298 (cal/mol*K) = -0.50
G298 (kcal/mol) = 0.73

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(66); C7H10(38)(+M)=>C7H10(66)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.281e+01 1.705e+00 -1.630e-01 -5.547e-02 / CHEB/ 1.616e+01 1.895e-01 8.919e-02 1.526e-02 / CHEB/ 2.644e-01 5.563e-02 3.512e-02 1.581e-02 / CHEB/ -1.442e-01 -3.405e-03 2.815e-03 5.560e-03 / CHEB/ -1.034e-01 7.661e-04 6.897e-04 6.898e-04 / CHEB/ -3.164e-02 2.362e-03 6.085e-04 -4.448e-04 /

2601.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.9	-6.8	-0.7	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-25.1	-5.9	+0.3	+3.2

Chebyshev(coeffs=[[-24.2361,1.81983,-0.112063,-0.0505001],[26.4664,0.115437,0.0674712,0.0262236],[0.185374,0.04074,0.0252378,0.0112398],[-0.156668,-0.0102481,-0.00415266,0.000237769],[-0.0938553,-0.0029557,-0.0019823,-0.000997963],[-0.0121963,-0.00152575,-0.0013562,-0.000989673]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.52
S298 (cal/mol*K) = -3.29
G298 (kcal/mol) = -19.55

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(67); C7H10(38)(+M)=>C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.424e+01 1.820e+00 -1.121e-01 -5.050e-02 / CHEB/ 2.647e+01 1.154e-01 6.747e-02 2.622e-02 / CHEB/ 1.854e-01 4.074e-02 2.524e-02 1.124e-02 / CHEB/ -1.567e-01 -1.025e-02 -4.153e-03 2.378e-04 / CHEB/ -9.386e-02 -2.956e-03 -1.982e-03 -9.980e-04 / CHEB/ -1.220e-02 -1.526e-03 -1.356e-03 -9.897e-04 /

2602.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+1.9	+4.3	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-5.1	+2.7	+5.2	+6.2

Chebyshev(coeffs=[[-4.88346,1.55643,-0.16303,-0.0112499],[9.9484,0.280667,0.0425859,-0.0454784],[0.379492,0.082969,0.0548872,0.0147015],[-0.125552,-0.00186117,0.0145058,0.0160974],[-0.112227,-0.00264878,0.00105963,0.00451876],[-0.039062,0.00482706,-0.000115998,-0.00161288]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.58
S298 (cal/mol*K) = -0.50
G298 (kcal/mol) = 0.73

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(68); C7H10(38)(+M)=>C7H10(68)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.883e+00 1.556e+00 -1.630e-01 -1.125e-02 / CHEB/ 9.948e+00 2.807e-01 4.259e-02 -4.548e-02 / CHEB/ 3.795e-01 8.297e-02 5.489e-02 1.470e-02 / CHEB/ -1.256e-01 -1.861e-03 1.451e-02 1.610e-02 / CHEB/ -1.122e-01 -2.649e-03 1.060e-03 4.519e-03 / CHEB/ -3.906e-02 4.827e-03 -1.160e-04 -1.613e-03 /

2603.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+5.2	+6.3	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+5.9	+7.1	+7.5

Chebyshev(coeffs=[[2.37718,1.44489,-0.0612641,-0.0393092],[3.8901,0.258981,-0.0901487,0.032444],[0.506744,0.146122,0.0137278,-0.0430053],[-0.106538,0.0275807,0.0537656,0.0011353],[-0.105093,-0.00774302,0.0199785,0.0192307],[-0.0322305,-0.00305584,-0.00480064,0.00646864]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.52
S298 (cal/mol*K) = -3.29
G298 (kcal/mol) = -19.55

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(69); C7H10(38)(+M)=>C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.377e+00 1.445e+00 -6.126e-02 -3.931e-02 / CHEB/ 3.890e+00 2.590e-01 -9.015e-02 3.244e-02 / CHEB/ 5.067e-01 1.461e-01 1.373e-02 -4.301e-02 / CHEB/ -1.065e-01 2.758e-02 5.377e-02 1.135e-03 / CHEB/ -1.051e-01 -7.743e-03 1.998e-02 1.923e-02 / CHEB/ -3.223e-02 -3.056e-03 -4.801e-03 6.469e-03 /

2604.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+2.9	+4.9	+5.7
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+3.7	+5.8	+6.6

Chebyshev(coeffs=[[-2.54662,1.50721,-0.129959,0.00373974],[7.97449,0.299014,-0.0129786,-0.0560775],[0.451582,0.100959,0.0619423,0.00229655],[-0.111174,0.00162067,0.0246889,0.0193011],[-0.110987,-0.0052852,0.00237413,0.00891043],[-0.0372905,0.00358898,-0.00187472,-0.00135776]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.78
S298 (cal/mol*K) = 0.60
G298 (kcal/mol) = 9.60

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(70); C7H10(38)(+M)=>C7H10(70)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.547e+00 1.507e+00 -1.300e-01 3.740e-03 / CHEB/ 7.974e+00 2.990e-01 -1.298e-02 -5.608e-02 / CHEB/ 4.516e-01 1.010e-01 6.194e-02 2.297e-03 / CHEB/ -1.112e-01 1.621e-03 2.469e-02 1.930e-02 / CHEB/ -1.110e-01 -5.285e-03 2.374e-03 8.910e-03 / CHEB/ -3.729e-02 3.589e-03 -1.875e-03 -1.358e-03 /

2605.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+2.0	+3.3	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+2.8	+4.2	+4.6

Chebyshev(coeffs=[[-1.35707,1.45417,-0.0629184,-0.0198856],[4.76233,0.273499,-0.0985012,0.00089582],[0.50302,0.138557,0.0373443,-0.0353929],[-0.110992,0.0186911,0.0492799,0.00980332],[-0.108058,-0.0080541,0.0128705,0.017838],[-0.0347024,-0.000975126,-0.00472429,0.00390815]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.98
S298 (cal/mol*K) = -6.90
G298 (kcal/mol) = -9.93

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(71); C7H10(38)(+M)=>C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.357e+00 1.454e+00 -6.292e-02 -1.989e-02 / CHEB/ 4.762e+00 2.735e-01 -9.850e-02 8.958e-04 / CHEB/ 5.030e-01 1.386e-01 3.734e-02 -3.539e-02 / CHEB/ -1.110e-01 1.869e-02 4.928e-02 9.803e-03 / CHEB/ -1.081e-01 -8.054e-03 1.287e-02 1.784e-02 / CHEB/ -3.470e-02 -9.751e-04 -4.724e-03 3.908e-03 /

2606.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.9	-4.4	+1.3	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-22.0	-3.4	+2.3	+4.9

Chebyshev(coeffs=[[-21.3686,1.81861,-0.112799,-0.0508084],[25.6664,0.114546,0.0668693,0.0259071],[-0.0272522,0.0412141,0.0254681,0.0112815],[-0.218383,-0.00968753,-0.0037979,0.000401636],[-0.114582,-0.00261908,-0.00175174,-0.000874111],[-0.0198312,-0.00143862,-0.00128955,-0.000947176]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.10
S298 (cal/mol*K) = 40.91
G298 (kcal/mol) = 68.91

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C5H6(62); C7H10(38), C2H4(72); C7H10(38)(+M)=>C5H6(62)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.137e+01 1.819e+00 -1.128e-01 -5.081e-02 / CHEB/ 2.567e+01 1.145e-01 6.687e-02 2.591e-02 / CHEB/ -2.725e-02 4.121e-02 2.547e-02 1.128e-02 / CHEB/ -2.184e-01 -9.688e-03 -3.798e-03 4.016e-04 / CHEB/ -1.146e-01 -2.619e-03 -1.752e-03 -8.741e-04 / CHEB/ -1.983e-02 -1.439e-03 -1.290e-03 -9.472e-04 /

2607.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.1	-7.4	-0.2	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-29.2	-6.5	+0.8	+4.3

Chebyshev(coeffs=[[-28.137,1.85235,-0.0939212,-0.0442966],[31.5566,0.0967303,0.058484,0.0246618],[0.140516,0.0310657,0.0196967,0.00921222],[-0.162169,-0.013147,-0.00676663,-0.00167967],[-0.112604,-0.00316246,-0.00224283,-0.00125968],[-0.00704435,-0.000551504,-0.000680055,-0.000629331]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.53
S298 (cal/mol*K) = 44.82
G298 (kcal/mol) = 86.17

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C4H6(74); C7H10(38), C3H4(73); C7H10(38)(+M)=>C4H6(74)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.814e+01 1.852e+00 -9.392e-02 -4.430e-02 / CHEB/ 3.156e+01 9.673e-02 5.848e-02 2.466e-02 / CHEB/ 1.405e-01 3.107e-02 1.970e-02 9.212e-03 / CHEB/ -1.622e-01 -1.315e-02 -6.767e-03 -1.680e-03 / CHEB/ -1.126e-01 -3.162e-03 -2.243e-03 -1.260e-03 / CHEB/ -7.044e-03 -5.515e-04 -6.801e-04 -6.293e-04 /

2608.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+0.8	+2.8	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-5.3	+1.5	+3.7	+4.6

Chebyshev(coeffs=[[-5.07732,1.18504,-0.305488,-0.0401801],[8.49237,0.622427,0.161365,-0.0240467],[0.362971,0.118526,0.0747824,0.0198828],[-0.0988668,-0.0219158,0.0109227,0.0153301],[-0.0834971,-0.00814909,2.30981e-05,0.00520554],[-0.0140105,0.01103,0.00236596,-0.000239442]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.61
S298 (cal/mol*K) = 1.47
G298 (kcal/mol) = 19.17

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(75); C7H10(38)(+M)=>C7H10(75)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.077e+00 1.185e+00 -3.055e-01 -4.018e-02 / CHEB/ 8.492e+00 6.224e-01 1.614e-01 -2.405e-02 / CHEB/ 3.630e-01 1.185e-01 7.478e-02 1.988e-02 / CHEB/ -9.887e-02 -2.192e-02 1.092e-02 1.533e-02 / CHEB/ -8.350e-02 -8.149e-03 2.310e-05 5.206e-03 / CHEB/ -1.401e-02 1.103e-02 2.366e-03 -2.394e-04 /

2609.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+3.3	+4.9	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+4.1	+5.8	+6.3

Chebyshev(coeffs=[[-1.15651,1.47156,-0.0976963,0.00453334],[6.39468,0.289736,-0.0627597,-0.0454199],[0.386061,0.116403,0.0561282,-0.0136274],[-0.129784,0.0091481,0.0349357,0.0166185],[-0.114736,-0.00589764,0.00650329,0.0131299],[-0.0380042,0.00191516,-0.0029471,0.000656045]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = -4.91
G298 (kcal/mol) = -2.43

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(76); C7H10(38)(+M)=>C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.157e+00 1.472e+00 -9.770e-02 4.533e-03 / CHEB/ 6.395e+00 2.897e-01 -6.276e-02 -4.542e-02 / CHEB/ 3.861e-01 1.164e-01 5.613e-02 -1.363e-02 / CHEB/ -1.298e-01 9.148e-03 3.494e-02 1.662e-02 / CHEB/ -1.147e-01 -5.898e-03 6.503e-03 1.313e-02 / CHEB/ -3.800e-02 1.915e-03 -2.947e-03 6.560e-04 /

2610.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+1.4	+3.3	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+2.2	+4.2	+4.9

Chebyshev(coeffs=[[-3.94586,1.50083,-0.130062,0.00468613],[7.74422,0.292627,-0.0166241,-0.0561628],[0.376379,0.101778,0.0593536,0.000495878],[-0.126381,0.00366474,0.0254886,0.0184621],[-0.113324,-0.00440186,0.00350006,0.00929576],[-0.0379975,0.00376297,-0.00175517,-0.00102375]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.90
S298 (cal/mol*K) = -13.03
G298 (kcal/mol) = -22.02

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(77); C7H10(38)(+M)=>C7H10(77)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.946e+00 1.501e+00 -1.301e-01 4.686e-03 / CHEB/ 7.744e+00 2.926e-01 -1.662e-02 -5.616e-02 / CHEB/ 3.764e-01 1.018e-01 5.935e-02 4.959e-04 / CHEB/ -1.264e-01 3.665e-03 2.549e-02 1.846e-02 / CHEB/ -1.133e-01 -4.402e-03 3.500e-03 9.296e-03 / CHEB/ -3.800e-02 3.763e-03 -1.755e-03 -1.024e-03 /

2611.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+6.0	+6.7	+6.8
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+6.7	+7.5	+7.7

Chebyshev(coeffs=[[3.74917,1.43059,-0.0629121,-0.0547025],[2.88099,0.235463,-0.079033,0.0552667],[0.358533,0.15024,-0.00809153,-0.0395418],[-0.124682,0.0376128,0.0469937,-0.011839],[-0.117066,-0.00435818,0.0293268,0.0162246],[-0.0324848,-0.00517981,-0.00115838,0.00970065]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.00
S298 (cal/mol*K) = -17.35
G298 (kcal/mol) = -22.83

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(78); C7H10(38)(+M)=>C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.749e+00 1.431e+00 -6.291e-02 -5.470e-02 / CHEB/ 2.881e+00 2.355e-01 -7.903e-02 5.527e-02 / CHEB/ 3.585e-01 1.502e-01 -8.092e-03 -3.954e-02 / CHEB/ -1.247e-01 3.761e-02 4.699e-02 -1.184e-02 / CHEB/ -1.171e-01 -4.358e-03 2.933e-02 1.622e-02 / CHEB/ -3.248e-02 -5.180e-03 -1.158e-03 9.701e-03 /

2612.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.8	+7.2	+7.3	+7.1
log₁₀(k(10 bar)/[mole,m,s])	+6.5	+7.8	+8.1	+8.0

Chebyshev(coeffs=[[5.94908,1.39678,-0.0620893,-0.0737055],[1.34382,0.17914,-0.0588796,0.0782587],[-0.0389168,0.150861,-0.0281866,-0.0172811],[-0.142503,0.0592175,0.0191051,-0.0265471],[-0.0958422,0.0111841,0.0296062,-0.000139485],[-0.0277706,-0.00304929,0.009251,0.00908343]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.93
S298 (cal/mol*K) = -10.26
G298 (kcal/mol) = -66.87

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(79); C7H10(38)(+M)=>C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.949e+00 1.397e+00 -6.209e-02 -7.371e-02 / CHEB/ 1.344e+00 1.791e-01 -5.888e-02 7.826e-02 / CHEB/ -3.892e-02 1.509e-01 -2.819e-02 -1.728e-02 / CHEB/ -1.425e-01 5.922e-02 1.911e-02 -2.655e-02 / CHEB/ -9.584e-02 1.118e-02 2.961e-02 -1.395e-04 / CHEB/ -2.777e-02 -3.049e-03 9.251e-03 9.083e-03 /

2613.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.5	+6.9	+7.0	+6.8
log₁₀(k(10 bar)/[mole,m,s])	+6.2	+7.5	+7.8	+7.7

Chebyshev(coeffs=[[5.64584,1.39998,-0.0633924,-0.0734311],[1.34032,0.184111,-0.0607902,0.0785915],[-0.0403389,0.152625,-0.0285722,-0.0173859],[-0.141933,0.0579877,0.02003,-0.0269531],[-0.0942629,0.00856055,0.0309726,-0.00053037],[-0.0262267,-0.00544404,0.010285,0.00892295]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -54.05
S298 (cal/mol*K) = -7.22
G298 (kcal/mol) = -51.90

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(80); C7H10(38)(+M)=>C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.646e+00 1.400e+00 -6.339e-02 -7.343e-02 / CHEB/ 1.340e+00 1.841e-01 -6.079e-02 7.859e-02 / CHEB/ -4.034e-02 1.526e-01 -2.857e-02 -1.739e-02 / CHEB/ -1.419e-01 5.799e-02 2.003e-02 -2.695e-02 / CHEB/ -9.426e-02 8.561e-03 3.097e-02 -5.304e-04 / CHEB/ -2.623e-02 -5.444e-03 1.028e-02 8.923e-03 /

2614.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.5	-2.9	+1.9	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-2.0	+2.9	+5.1

Chebyshev(coeffs=[[-17.1489,1.78085,-0.132428,-0.0560941],[21.4536,0.13589,0.0756329,0.0257215],[0.092079,0.0482381,0.0293836,0.0126005],[-0.191364,-0.00599222,-0.00071978,0.00245523],[-0.113883,-0.000753283,-0.000459042,-0.000141675],[-0.0243957,-0.000576533,-0.000789834,-0.000740263]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.99
S298 (cal/mol*K) = 32.09
G298 (kcal/mol) = 48.43

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), CH2(T)(82); C7H10(38), C6H8(81); C7H10(38)(+M)=>CH2(T)(82)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.715e+01 1.781e+00 -1.324e-01 -5.609e-02 / CHEB/ 2.145e+01 1.359e-01 7.563e-02 2.572e-02 / CHEB/ 9.208e-02 4.824e-02 2.938e-02 1.260e-02 / CHEB/ -1.914e-01 -5.992e-03 -7.198e-04 2.455e-03 / CHEB/ -1.139e-01 -7.533e-04 -4.590e-04 -1.417e-04 / CHEB/ -2.440e-02 -5.765e-04 -7.898e-04 -7.403e-04 /

2615.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.6	-14.1	-5.3	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-40.6	-13.1	-4.3	-0.2

Chebyshev(coeffs=[[-39.258,1.89159,-0.0708877,-0.0352634],[38.436,0.0710669,0.0447291,0.0205997],[-0.0117149,0.0182696,0.0119281,0.00591236],[-0.196286,-0.0133142,-0.00782668,-0.00306704],[-0.106552,-0.00153035,-0.00121292,-0.000796735],[-0.0228234,0.00113652,0.000563391,0.000111966]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 113.40
S298 (cal/mol*K) = 38.22
G298 (kcal/mol) = 102.01

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), CH2(T)(82); C7H10(38), C6H8(83); C7H10(38)(+M)=>CH2(T)(82)+C6H8(83)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.926e+01 1.892e+00 -7.089e-02 -3.526e-02 / CHEB/ 3.844e+01 7.107e-02 4.473e-02 2.060e-02 / CHEB/ -1.171e-02 1.827e-02 1.193e-02 5.912e-03 / CHEB/ -1.963e-01 -1.331e-02 -7.827e-03 -3.067e-03 / CHEB/ -1.066e-01 -1.530e-03 -1.213e-03 -7.967e-04 / CHEB/ -2.282e-02 1.137e-03 5.634e-04 1.120e-04 /

2616.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-1.2	+3.0	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-0.3	+3.9	+5.8

Chebyshev(coeffs=[[-12.8363,1.72832,-0.154805,-0.0571649],[17.5795,0.175354,0.0878757,0.0206327],[0.313425,0.0530634,0.0331645,0.0148268],[-0.133265,-0.00419399,0.00165023,0.00452862],[-0.102509,0.00025838,0.000263226,0.000347152],[-0.0262657,0.00114505,3.71832e-05,-0.000560301]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.05
S298 (cal/mol*K) = 23.62
G298 (kcal/mol) = 40.01

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(84); C7H10(38)(+M)=>H(25)+C7H9(84)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.284e+01 1.728e+00 -1.548e-01 -5.716e-02 / CHEB/ 1.758e+01 1.754e-01 8.788e-02 2.063e-02 / CHEB/ 3.134e-01 5.306e-02 3.316e-02 1.483e-02 / CHEB/ -1.333e-01 -4.194e-03 1.650e-03 4.529e-03 / CHEB/ -1.025e-01 2.584e-04 2.632e-04 3.472e-04 / CHEB/ -2.627e-02 1.145e-03 3.718e-05 -5.603e-04 /

2617.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-2.0	+1.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-1.5	+2.3	+4.2

Chebyshev(coeffs=[[-10.689,0.346287,-0.218673,-0.00532772],[13.2566,1.32133,0.0825105,-0.0101432],[0.639495,0.500125,0.107831,-0.00366504],[-0.0203915,-0.000652156,0.0363384,-0.0102697],[0.0148139,-0.132359,-0.0186741,-0.00194171],[0.0314524,-0.0948343,-0.0267984,0.00666427]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.98
S298 (cal/mol*K) = 5.39
G298 (kcal/mol) = 15.37

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(85); C7H10(38)(+M)=>C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.069e+01 3.463e-01 -2.187e-01 -5.328e-03 / CHEB/ 1.326e+01 1.321e+00 8.251e-02 -1.014e-02 / CHEB/ 6.395e-01 5.001e-01 1.078e-01 -3.665e-03 / CHEB/ -2.039e-02 -6.522e-04 3.634e-02 -1.027e-02 / CHEB/ 1.481e-02 -1.324e-01 -1.867e-02 -1.942e-03 / CHEB/ 3.145e-02 -9.483e-02 -2.680e-02 6.664e-03 /

2618.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-2.5	+1.3	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-1.8	+2.3	+4.2

Chebyshev(coeffs=[[-10.2805,0.336899,-0.168822,0.00672617],[12.279,1.42225,0.084088,-0.0263367],[1.19468,0.504052,0.080129,-0.00378185],[0.151909,-0.0930222,-0.00846217,-0.00885066],[-0.0341983,-0.220664,-0.0394183,0.000928319],[-0.0506433,-0.0933636,-0.0112152,0.0102465]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.98
S298 (cal/mol*K) = 5.39
G298 (kcal/mol) = 15.37

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(86); C7H10(38)(+M)=>C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.028e+01 3.369e-01 -1.688e-01 6.726e-03 / CHEB/ 1.228e+01 1.422e+00 8.409e-02 -2.634e-02 / CHEB/ 1.195e+00 5.041e-01 8.013e-02 -3.782e-03 / CHEB/ 1.519e-01 -9.302e-02 -8.462e-03 -8.851e-03 / CHEB/ -3.420e-02 -2.207e-01 -3.942e-02 9.283e-04 / CHEB/ -5.064e-02 -9.336e-02 -1.122e-02 1.025e-02 /

2619.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	+0.4	+2.5	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-7.9	+0.6	+3.2	+4.4

Chebyshev(coeffs=[[-6.71722,0.100358,-0.211701,0.0088427],[10.0769,1.17377,-0.0135688,-0.0366096],[0.34178,0.551033,0.103562,0.00763034],[-0.277395,0.152615,0.0799242,0.00620181],[-0.108857,0.0190431,0.0340995,0.000294708],[0.0442633,0.00142368,-0.00101854,-0.00249749]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.98
S298 (cal/mol*K) = 5.39
G298 (kcal/mol) = 15.37

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(87); C7H10(38)(+M)=>C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.717e+00 1.004e-01 -2.117e-01 8.843e-03 / CHEB/ 1.008e+01 1.174e+00 -1.357e-02 -3.661e-02 / CHEB/ 3.418e-01 5.510e-01 1.036e-01 7.630e-03 / CHEB/ -2.774e-01 1.526e-01 7.992e-02 6.202e-03 / CHEB/ -1.089e-01 1.904e-02 3.410e-02 2.947e-04 / CHEB/ 4.426e-02 1.424e-03 -1.019e-03 -2.497e-03 /

2620.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.1	+4.5	+5.8	+6.3
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+5.2	+6.7	+7.2

Chebyshev(coeffs=[[1.39654,0.616116,0.156201,-0.0222067],[4.5152,1.08126,-0.205218,-0.0276834],[0.562662,0.178525,-0.104142,0.00251513],[-0.15914,0.0634979,0.0524367,0.0128689],[-0.122405,0.0052822,0.0233383,0.00645881],[-0.00398104,-0.0415408,0.00369222,0.00458632]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.79
S298 (cal/mol*K) = -4.42
G298 (kcal/mol) = -18.48

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(89); C7H10(38)(+M)=>C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.397e+00 6.161e-01 1.562e-01 -2.221e-02 / CHEB/ 4.515e+00 1.081e+00 -2.052e-01 -2.768e-02 / CHEB/ 5.627e-01 1.785e-01 -1.041e-01 2.515e-03 / CHEB/ -1.591e-01 6.350e-02 5.244e-02 1.287e-02 / CHEB/ -1.224e-01 5.282e-03 2.334e-02 6.459e-03 / CHEB/ -3.981e-03 -4.154e-02 3.692e-03 4.586e-03 /

2621.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.3	+1.0	+3.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-6.6	+1.9	+4.9	+6.3

Chebyshev(coeffs=[[-6.04315,1.57151,-0.157498,-0.0121719],[10.7047,0.298395,0.0492881,-0.0439688],[0.735289,0.0783132,0.0597184,0.0197391],[-0.0334794,-0.00695581,0.0115062,0.0164531],[-0.0842131,-0.00437494,-0.00148026,0.00271083],[-0.0272132,0.00377876,-0.000812836,-0.00231978]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.52
S298 (cal/mol*K) = -2.45
G298 (kcal/mol) = -6.80

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(90); C7H10(38)(+M)=>C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.043e+00 1.572e+00 -1.575e-01 -1.217e-02 / CHEB/ 1.070e+01 2.984e-01 4.929e-02 -4.397e-02 / CHEB/ 7.353e-01 7.831e-02 5.972e-02 1.974e-02 / CHEB/ -3.348e-02 -6.956e-03 1.151e-02 1.645e-02 / CHEB/ -8.421e-02 -4.375e-03 -1.480e-03 2.711e-03 / CHEB/ -2.721e-02 3.779e-03 -8.128e-04 -2.320e-03 /

2622.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-0.6	+2.5	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-9.8	+0.3	+3.4	+4.7

Chebyshev(coeffs=[[-9.63336,1.65061,-0.175276,-0.0454363],[13.4407,0.22175,0.0853206,-0.00286571],[0.20613,0.062481,0.0404356,0.017783],[-0.165401,-0.0025272,0.00561769,0.00839311],[-0.120197,0.00091128,0.00116585,0.00145566],[-0.038448,0.00436863,0.00126965,-0.000545574]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.14
S298 (cal/mol*K) = -0.76
G298 (kcal/mol) = 20.36

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(91); C7H10(38)(+M)=>C7H10(91)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.633e+00 1.651e+00 -1.753e-01 -4.544e-02 / CHEB/ 1.344e+01 2.218e-01 8.532e-02 -2.866e-03 / CHEB/ 2.061e-01 6.248e-02 4.044e-02 1.778e-02 / CHEB/ -1.654e-01 -2.527e-03 5.618e-03 8.393e-03 / CHEB/ -1.202e-01 9.113e-04 1.166e-03 1.456e-03 / CHEB/ -3.845e-02 4.369e-03 1.270e-03 -5.456e-04 /

2623.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.8	+6.9	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+6.3	+7.5	+7.7	+7.5

Chebyshev(coeffs=[[5.71475,1.39926,-0.0633424,-0.0742854],[1.15996,0.182869,-0.0598259,0.0791301],[-0.0826019,0.153366,-0.0287677,-0.0162286],[-0.14549,0.0591551,0.0189847,-0.0271678],[-0.0884896,0.00918124,0.0307083,-0.00125717],[-0.0269026,-0.00545154,0.0107202,0.00869186]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -54.05
S298 (cal/mol*K) = -7.22
G298 (kcal/mol) = -51.90

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(92); C7H10(38)(+M)=>C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.715e+00 1.399e+00 -6.334e-02 -7.429e-02 / CHEB/ 1.160e+00 1.829e-01 -5.983e-02 7.913e-02 / CHEB/ -8.260e-02 1.534e-01 -2.877e-02 -1.623e-02 / CHEB/ -1.455e-01 5.916e-02 1.898e-02 -2.717e-02 / CHEB/ -8.849e-02 9.181e-03 3.071e-02 -1.257e-03 / CHEB/ -2.690e-02 -5.452e-03 1.072e-02 8.692e-03 /

2624.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.7	+8.8	+8.7	+8.4
log₁₀(k(10 bar)/[mole,m,s])	+8.4	+9.4	+9.5	+9.3

Chebyshev(coeffs=[[7.74321,1.39444,-0.0630186,-0.0762996],[0.966016,0.174939,-0.0575154,0.0809638],[-0.147865,0.152795,-0.0299261,-0.0123069],[-0.164193,0.0617221,0.0150794,-0.0274888],[-0.0979112,0.011143,0.0289165,-0.00394127],[-0.022003,-0.00511951,0.011574,0.00743891]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -74.49
S298 (cal/mol*K) = -16.05
G298 (kcal/mol) = -69.71

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(93); C7H10(38)(+M)=>C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.743e+00 1.394e+00 -6.302e-02 -7.630e-02 / CHEB/ 9.660e-01 1.749e-01 -5.752e-02 8.096e-02 / CHEB/ -1.479e-01 1.528e-01 -2.993e-02 -1.231e-02 / CHEB/ -1.642e-01 6.172e-02 1.508e-02 -2.749e-02 / CHEB/ -9.791e-02 1.114e-02 2.892e-02 -3.941e-03 / CHEB/ -2.200e-02 -5.120e-03 1.157e-02 7.439e-03 /

2625.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	+0.3	+3.6	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-9.6	+1.2	+4.6	+6.1

Chebyshev(coeffs=[[-9.28315,1.66568,-0.171882,-0.0480669],[14.2981,0.218355,0.0889835,0.00231637],[0.333267,0.0598634,0.0393395,0.018102],[-0.132463,-0.00339613,0.00445385,0.00751082],[-0.109351,0.000562791,0.000729515,0.00101723],[-0.0336906,0.00351075,0.000915991,-0.000596]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.50
S298 (cal/mol*K) = 26.41
G298 (kcal/mol) = 23.63

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C6H8(94); C7H10(38), CH2(T)(82); C7H10(38)(+M)=>C6H8(94)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.283e+00 1.666e+00 -1.719e-01 -4.807e-02 / CHEB/ 1.430e+01 2.184e-01 8.898e-02 2.316e-03 / CHEB/ 3.333e-01 5.986e-02 3.934e-02 1.810e-02 / CHEB/ -1.325e-01 -3.396e-03 4.454e-03 7.511e-03 / CHEB/ -1.094e-01 5.628e-04 7.295e-04 1.017e-03 / CHEB/ -3.369e-02 3.511e-03 9.160e-04 -5.960e-04 /

2626.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-1.6	+2.4	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-0.7	+3.3	+5.1

Chebyshev(coeffs=[[-12.0682,0.843461,-0.106742,-0.0183885],[15.6185,1.4124,0.0692716,-0.0328556],[0.969138,-0.219038,-0.0597163,0.0160265],[-0.270433,-0.213767,0.0638909,0.0316795],[-0.17694,0.126549,0.037506,-0.0147444],[-0.0400872,0.0373111,-0.0504634,-0.00835868]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.72
S298 (cal/mol*K) = 1.43
G298 (kcal/mol) = 12.29

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(95); C7H10(38)(+M)=>C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.207e+01 8.435e-01 -1.067e-01 -1.839e-02 / CHEB/ 1.562e+01 1.412e+00 6.927e-02 -3.286e-02 / CHEB/ 9.691e-01 -2.190e-01 -5.972e-02 1.603e-02 / CHEB/ -2.704e-01 -2.138e-01 6.389e-02 3.168e-02 / CHEB/ -1.769e-01 1.265e-01 3.751e-02 -1.474e-02 / CHEB/ -4.009e-02 3.731e-02 -5.046e-02 -8.359e-03 /

2627.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-1.2	+2.1	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-0.6	+3.1	+4.7

Chebyshev(coeffs=[[-6.96754,0.211006,-0.0884684,0.0188392],[9.26092,1.43516,-0.00416832,-0.0332666],[1.37272,0.593932,0.0763475,-0.0179527],[0.12336,-0.0302599,-0.0100647,-0.00234827],[-0.0511739,-0.213121,-0.0397338,0.000550228],[-0.0233487,-0.122113,-0.00426909,0.00782013]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.52
S298 (cal/mol*K) = 0.33
G298 (kcal/mol) = 3.42

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(96); C7H10(38)(+M)=>C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.968e+00 2.110e-01 -8.847e-02 1.884e-02 / CHEB/ 9.261e+00 1.435e+00 -4.168e-03 -3.327e-02 / CHEB/ 1.373e+00 5.939e-01 7.635e-02 -1.795e-02 / CHEB/ 1.234e-01 -3.026e-02 -1.006e-02 -2.348e-03 / CHEB/ -5.117e-02 -2.131e-01 -3.973e-02 5.502e-04 / CHEB/ -2.335e-02 -1.221e-01 -4.269e-03 7.820e-03 /

2628.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	+1.3	+3.9	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+2.2	+4.8	+5.9

Chebyshev(coeffs=[[-5.54268,0.967593,-0.00140402,-0.0150518],[10.0692,1.21304,-0.160436,-0.0634235],[0.761335,-0.309012,0.0627969,0.0618416],[-0.214984,0.0143307,0.0899101,-0.00601525],[-0.112009,0.0603527,-0.0433922,-0.0123318],[-0.0318161,-0.0204157,-0.00103589,0.0191733]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.52
S298 (cal/mol*K) = 0.33
G298 (kcal/mol) = 3.42

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(97); C7H10(38)(+M)=>C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.543e+00 9.676e-01 -1.404e-03 -1.505e-02 / CHEB/ 1.007e+01 1.213e+00 -1.604e-01 -6.342e-02 / CHEB/ 7.613e-01 -3.090e-01 6.280e-02 6.184e-02 / CHEB/ -2.150e-01 1.433e-02 8.991e-02 -6.015e-03 / CHEB/ -1.120e-01 6.035e-02 -4.339e-02 -1.233e-02 / CHEB/ -3.182e-02 -2.042e-02 -1.036e-03 1.917e-02 /

2629.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+1.2	+2.7	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-6.9	+1.4	+3.2	+3.5

Chebyshev(coeffs=[[-6.01814,0.0675423,-0.247353,-0.0023118],[9.49602,1.06963,-0.0501798,-0.0468056],[-0.0925174,0.453617,0.0680303,-0.000568565],[-0.523636,0.0828537,0.0589574,0.00277038],[-0.274237,-0.0173384,0.0266889,0.00359848],[-0.0688381,-0.00926271,0.00130768,0.00385559]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.23
S298 (cal/mol*K) = 31.84
G298 (kcal/mol) = 14.74

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C3H5(98); C7H10(38), C4H5(99); C7H10(38)(+M)=>C3H5(98)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.018e+00 6.754e-02 -2.474e-01 -2.312e-03 / CHEB/ 9.496e+00 1.070e+00 -5.018e-02 -4.681e-02 / CHEB/ -9.252e-02 4.536e-01 6.803e-02 -5.686e-04 / CHEB/ -5.236e-01 8.285e-02 5.896e-02 2.770e-03 / CHEB/ -2.742e-01 -1.734e-02 2.669e-02 3.598e-03 / CHEB/ -6.884e-02 -9.263e-03 1.308e-03 3.856e-03 /

2630.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+2.9	+4.0	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+3.0	+4.5	+4.5

Chebyshev(coeffs=[[-3.07304,-0.0502756,-0.202435,0.00911752],[7.53867,1.0136,-0.11182,-0.051516],[0.0307029,0.470659,0.0618651,-0.00659628],[-0.528069,0.112376,0.0567785,0.00728486],[-0.291735,-0.000982546,0.0267208,0.00247804],[-0.0771123,-0.00543839,0.00383698,0.000647247]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.03
S298 (cal/mol*K) = 32.85
G298 (kcal/mol) = 6.24

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C5H7(210); C7H10(38), C2H3(100); C7H10(38)(+M)=>C5H7(210)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.073e+00 -5.028e-02 -2.024e-01 9.118e-03 / CHEB/ 7.539e+00 1.014e+00 -1.118e-01 -5.152e-02 / CHEB/ 3.070e-02 4.707e-01 6.187e-02 -6.596e-03 / CHEB/ -5.281e-01 1.124e-01 5.678e-02 7.285e-03 / CHEB/ -2.917e-01 -9.825e-04 2.672e-02 2.478e-03 / CHEB/ -7.711e-02 -5.438e-03 3.837e-03 6.472e-04 /

2631.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-5.0	-2.2	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-16.8	-4.5	-1.4	-0.3

Chebyshev(coeffs=[[-16.0433,0.482867,-0.306019,-0.0334259],[15.5924,1.11875,0.0601925,-0.0231455],[-0.209664,0.321087,0.116369,-0.00525485],[-0.441158,-0.0309387,0.0527573,0.0156507],[-0.198696,-0.0496638,0.0014864,0.0135482],[-0.0420388,-0.00270042,-0.00981728,0.00152858]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.27
S298 (cal/mol*K) = 23.76
G298 (kcal/mol) = 39.19

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(101); C7H10(38)(+M)=>H(25)+C7H9(101)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.604e+01 4.829e-01 -3.060e-01 -3.343e-02 / CHEB/ 1.559e+01 1.119e+00 6.019e-02 -2.315e-02 / CHEB/ -2.097e-01 3.211e-01 1.164e-01 -5.255e-03 / CHEB/ -4.412e-01 -3.094e-02 5.276e-02 1.565e-02 / CHEB/ -1.987e-01 -4.966e-02 1.486e-03 1.355e-02 / CHEB/ -4.204e-02 -2.700e-03 -9.817e-03 1.529e-03 /

2632.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-5.0	-2.2	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-16.8	-4.5	-1.4	-0.3

H298 (kcal/mol) = 46.27
S298 (cal/mol*K) = 23.76
G298 (kcal/mol) = 39.19

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(102); C7H10(38)(+M)=>H(25)+C7H9(102)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.604e+01 4.829e-01 -3.060e-01 -3.343e-02 / CHEB/ 1.559e+01 1.119e+00 6.019e-02 -2.315e-02 / CHEB/ -2.097e-01 3.211e-01 1.164e-01 -5.255e-03 / CHEB/ -4.412e-01 -3.094e-02 5.276e-02 1.565e-02 / CHEB/ -1.987e-01 -4.966e-02 1.486e-03 1.355e-02 / CHEB/ -4.204e-02 -2.700e-03 -9.817e-03 1.529e-03 /

2633.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	-3.0	+0.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-2.3	+1.0	+2.1

Chebyshev(coeffs=[[-15.1531,0.726177,-0.332505,-0.034827],[17.3283,1.04862,0.13329,-0.0336617],[-0.432546,0.218219,0.127144,0.012159],[-0.460591,-0.0690707,0.0262235,0.0243042],[-0.191373,-0.0429236,-0.0133513,0.00785931],[-0.0415631,0.00647862,-0.00818033,-0.00355365]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.43
S298 (cal/mol*K) = 39.78
G298 (kcal/mol) = 42.57

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C5H7(103); C7H10(38), C2H3(100); C7H10(38)(+M)=>C5H7(103)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.515e+01 7.262e-01 -3.325e-01 -3.483e-02 / CHEB/ 1.733e+01 1.049e+00 1.333e-01 -3.366e-02 / CHEB/ -4.325e-01 2.182e-01 1.271e-01 1.216e-02 / CHEB/ -4.606e-01 -6.907e-02 2.622e-02 2.430e-02 / CHEB/ -1.914e-01 -4.292e-02 -1.335e-02 7.859e-03 / CHEB/ -4.156e-02 6.479e-03 -8.180e-03 -3.554e-03 /

2634.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-2.0	+0.4	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-1.7	+1.1	+1.9

Chebyshev(coeffs=[[-11.7705,0.298626,-0.287099,-0.0275296],[13.4986,1.12013,0.0162247,-0.0231929],[-0.0997479,0.393817,0.0932476,-0.00665458],[-0.456227,0.0175958,0.0621542,0.00550239],[-0.221241,-0.0426383,0.0159476,0.0114228],[-0.0486663,-0.00920607,-0.00620285,0.0051594]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.07
S298 (cal/mol*K) = 22.67
G298 (kcal/mol) = 30.32

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(104); C7H10(38)(+M)=>H(25)+C7H9(104)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.177e+01 2.986e-01 -2.871e-01 -2.753e-02 / CHEB/ 1.350e+01 1.120e+00 1.622e-02 -2.319e-02 / CHEB/ -9.975e-02 3.938e-01 9.325e-02 -6.655e-03 / CHEB/ -4.562e-01 1.760e-02 6.215e-02 5.502e-03 / CHEB/ -2.212e-01 -4.264e-02 1.595e-02 1.142e-02 / CHEB/ -4.867e-02 -9.206e-03 -6.203e-03 5.159e-03 /

2635.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-2.0	+0.4	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-1.7	+1.1	+1.9

H298 (kcal/mol) = 37.07
S298 (cal/mol*K) = 22.67
G298 (kcal/mol) = 30.32

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(105); C7H10(38)(+M)=>H(25)+C7H9(105)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.177e+01 2.986e-01 -2.871e-01 -2.753e-02 / CHEB/ 1.350e+01 1.120e+00 1.622e-02 -2.319e-02 / CHEB/ -9.975e-02 3.938e-01 9.325e-02 -6.655e-03 / CHEB/ -4.562e-01 1.760e-02 6.215e-02 5.502e-03 / CHEB/ -2.212e-01 -4.264e-02 1.595e-02 1.142e-02 / CHEB/ -4.867e-02 -9.206e-03 -6.203e-03 5.159e-03 /

2636.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-4.5	-1.5	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-3.9	-0.6	+0.5

Chebyshev(coeffs=[[-15.885,0.532569,-0.311349,-0.0336215],[16.2234,1.11089,0.073797,-0.025362],[-0.205977,0.299538,0.120924,-0.00284252],[-0.429097,-0.0414074,0.0482126,0.0182942],[-0.19121,-0.0493964,-0.00227025,0.0130181],[-0.0398743,-0.00062678,-0.010025,0.000315265]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.47
S298 (cal/mol*K) = 23.35
G298 (kcal/mol) = 41.51

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(106); C7H10(38)(+M)=>H(25)+C7H9(106)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.589e+01 5.326e-01 -3.113e-01 -3.362e-02 / CHEB/ 1.622e+01 1.111e+00 7.380e-02 -2.536e-02 / CHEB/ -2.060e-01 2.995e-01 1.209e-01 -2.843e-03 / CHEB/ -4.291e-01 -4.141e-02 4.821e-02 1.829e-02 / CHEB/ -1.912e-01 -4.940e-02 -2.270e-03 1.302e-02 / CHEB/ -3.987e-02 -6.268e-04 -1.002e-02 3.153e-04 /

2637.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-4.5	-1.5	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-3.9	-0.6	+0.5

H298 (kcal/mol) = 48.47
S298 (cal/mol*K) = 23.35
G298 (kcal/mol) = 41.51

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(107); C7H10(38)(+M)=>H(25)+C7H9(107)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.589e+01 5.326e-01 -3.113e-01 -3.362e-02 / CHEB/ 1.622e+01 1.111e+00 7.380e-02 -2.536e-02 / CHEB/ -2.060e-01 2.995e-01 1.209e-01 -2.843e-03 / CHEB/ -4.291e-01 -4.141e-02 4.821e-02 1.829e-02 / CHEB/ -1.912e-01 -4.940e-02 -2.270e-03 1.302e-02 / CHEB/ -3.987e-02 -6.268e-04 -1.002e-02 3.153e-04 /

2638.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	+0.9	+2.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+1.0	+3.0	+3.4

Chebyshev(coeffs=[[-6.41795,0.0406558,-0.23922,0.0011314],[9.64261,1.05947,-0.0618739,-0.049572],[0.0588792,0.45819,0.0663298,-0.000823239],[-0.487871,0.0898275,0.0582112,0.00354581],[-0.266172,-0.0137231,0.0270317,0.00296325],[-0.0664165,-0.00858529,0.00203933,0.00321033]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.80
S298 (cal/mol*K) = 7.31
G298 (kcal/mol) = 14.62

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(109); C7H10(38)(+M)=>C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.418e+00 4.066e-02 -2.392e-01 1.131e-03 / CHEB/ 9.643e+00 1.059e+00 -6.187e-02 -4.957e-02 / CHEB/ 5.888e-02 4.582e-01 6.633e-02 -8.232e-04 / CHEB/ -4.879e-01 8.983e-02 5.821e-02 3.546e-03 / CHEB/ -2.662e-01 -1.372e-02 2.703e-02 2.963e-03 / CHEB/ -6.642e-02 -8.585e-03 2.039e-03 3.210e-03 /

2639.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-4.9	-3.1	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-4.7	-2.5	-2.1

Chebyshev(coeffs=[[-12.6909,0.0864453,-0.252434,-0.00481309],[10.4434,1.07611,-0.0427043,-0.0446109],[0.0353568,0.450128,0.0694062,-0.000647426],[-0.479915,0.0778468,0.0595019,0.00235081],[-0.257073,-0.0198393,0.0263276,0.00413486],[-0.0625228,-0.00966497,0.000753689,0.00425809]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.61
S298 (cal/mol*K) = 1.20
G298 (kcal/mol) = 3.25

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(110); C7H10(38)(+M)=>C7H10(110)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.269e+01 8.645e-02 -2.524e-01 -4.813e-03 / CHEB/ 1.044e+01 1.076e+00 -4.270e-02 -4.461e-02 / CHEB/ 3.536e-02 4.501e-01 6.941e-02 -6.474e-04 / CHEB/ -4.799e-01 7.785e-02 5.950e-02 2.351e-03 / CHEB/ -2.571e-01 -1.984e-02 2.633e-02 4.135e-03 / CHEB/ -6.252e-02 -9.665e-03 7.537e-04 4.258e-03 /

2640.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-0.3	+1.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-0.2	+1.8	+2.2

Chebyshev(coeffs=[[-7.26696,-0.0697009,-0.254289,-0.00842562],[9.22121,1.03768,-0.0637961,-0.0418281],[0.148627,0.451063,0.0475682,-0.00799422],[-0.448161,0.106892,0.0533644,0.00342117],[-0.262917,0.00171717,0.0295163,0.00335866],[-0.0689888,-0.00251824,0.00543308,0.00260215]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.00
S298 (cal/mol*K) = 6.89
G298 (kcal/mol) = 16.94

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(111); C7H10(38)(+M)=>C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.267e+00 -6.970e-02 -2.543e-01 -8.426e-03 / CHEB/ 9.221e+00 1.038e+00 -6.380e-02 -4.183e-02 / CHEB/ 1.486e-01 4.511e-01 4.757e-02 -7.994e-03 / CHEB/ -4.482e-01 1.069e-01 5.336e-02 3.421e-03 / CHEB/ -2.629e-01 1.717e-03 2.952e-02 3.359e-03 / CHEB/ -6.899e-02 -2.518e-03 5.433e-03 2.602e-03 /

2641.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-2.3	-0.8	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-2.2	-0.3	+0.1

Chebyshev(coeffs=[[-9.2536,-0.00556224,-0.222441,0.00623831],[9.08369,1.03881,-0.0851837,-0.0525375],[0.149917,0.465052,0.0639669,-0.00260224],[-0.476818,0.101469,0.0571704,0.00528603],[-0.268909,-0.00733726,0.0271475,0.0023349],[-0.0681848,-0.00714167,0.0031039,0.00194839]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.07
S298 (cal/mol*K) = 3.14
G298 (kcal/mol) = 9.13

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(112); C7H10(38)(+M)=>C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.254e+00 -5.562e-03 -2.224e-01 6.238e-03 / CHEB/ 9.084e+00 1.039e+00 -8.518e-02 -5.254e-02 / CHEB/ 1.499e-01 4.651e-01 6.397e-02 -2.602e-03 / CHEB/ -4.768e-01 1.015e-01 5.717e-02 5.286e-03 / CHEB/ -2.689e-01 -7.337e-03 2.715e-02 2.335e-03 / CHEB/ -6.818e-02 -7.142e-03 3.104e-03 1.948e-03 /

2642.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-0.4	+0.6	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-0.5	+1.0	+1.1

Chebyshev(coeffs=[[-5.16211,-0.177119,-0.138029,-0.0129073],[5.85073,0.884291,-0.180668,0.0013797],[0.387034,0.481012,0.0327096,-0.0380523],[-0.467581,0.14422,0.0655756,0.00993255],[-0.283475,0.0181339,0.024805,0.00938738],[-0.0780539,0.00123256,0.00285375,-0.00136362]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.48
S298 (cal/mol*K) = -1.84
G298 (kcal/mol) = 2.02

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(113); C7H10(38)(+M)=>C7H10(113)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.162e+00 -1.771e-01 -1.380e-01 -1.291e-02 / CHEB/ 5.851e+00 8.843e-01 -1.807e-01 1.380e-03 / CHEB/ 3.870e-01 4.810e-01 3.271e-02 -3.805e-02 / CHEB/ -4.676e-01 1.442e-01 6.558e-02 9.933e-03 / CHEB/ -2.835e-01 1.813e-02 2.481e-02 9.387e-03 / CHEB/ -7.805e-02 1.233e-03 2.854e-03 -1.364e-03 /

2643.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+0.4	+1.7	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+0.4	+2.1	+2.3

Chebyshev(coeffs=[[-4.83382,-0.12331,-0.145242,-0.00797975],[6.61107,0.9627,-0.171987,-0.0123294],[0.496107,0.50142,0.0510046,-0.0325476],[-0.450223,0.137674,0.0670828,0.0123809],[-0.277592,0.00932487,0.0247243,0.00736737],[-0.074067,-0.00379632,0.00330155,-0.00178042]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.79
S298 (cal/mol*K) = 1.95
G298 (kcal/mol) = -1.37

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(114); C7H10(38)(+M)=>C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.834e+00 -1.233e-01 -1.452e-01 -7.980e-03 / CHEB/ 6.611e+00 9.627e-01 -1.720e-01 -1.233e-02 / CHEB/ 4.961e-01 5.014e-01 5.100e-02 -3.255e-02 / CHEB/ -4.502e-01 1.377e-01 6.708e-02 1.238e-02 / CHEB/ -2.776e-01 9.325e-03 2.472e-02 7.367e-03 / CHEB/ -7.407e-02 -3.796e-03 3.302e-03 -1.780e-03 /

2644.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.3	-0.8	+0.5	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-0.8	+0.9	+1.1

Chebyshev(coeffs=[[-6.36357,-0.119183,-0.165056,0.00479151],[7.12964,0.957226,-0.157634,-0.0348983],[0.320917,0.478108,0.0548725,-0.0197147],[-0.469376,0.128924,0.0588087,0.0101957],[-0.279883,0.00928828,0.0253133,0.00478032],[-0.0746965,-0.00218552,0.00410766,-0.00108072]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.87
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = 0.26

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(116); C7H10(38)(+M)=>C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.364e+00 -1.192e-01 -1.651e-01 4.792e-03 / CHEB/ 7.130e+00 9.572e-01 -1.576e-01 -3.490e-02 / CHEB/ 3.209e-01 4.781e-01 5.487e-02 -1.971e-02 / CHEB/ -4.694e-01 1.289e-01 5.881e-02 1.020e-02 / CHEB/ -2.799e-01 9.288e-03 2.531e-02 4.780e-03 / CHEB/ -7.470e-02 -2.186e-03 4.108e-03 -1.081e-03 /

2645.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-1.8	-0.6	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-1.8	-0.2	-0.0

Chebyshev(coeffs=[[-7.39327,-0.116763,-0.166434,0.0052225],[7.05642,0.959741,-0.156084,-0.0359433],[0.290407,0.477861,0.0553291,-0.0190674],[-0.477418,0.128338,0.0586471,0.0101188],[-0.282334,0.00891689,0.0253669,0.00464437],[-0.0754823,-0.00231451,0.00412362,-0.00103549]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.01
S298 (cal/mol*K) = -2.24
G298 (kcal/mol) = 1.67

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(117); C7H10(38)(+M)=>C7H10(117)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.393e+00 -1.168e-01 -1.664e-01 5.222e-03 / CHEB/ 7.056e+00 9.597e-01 -1.561e-01 -3.594e-02 / CHEB/ 2.904e-01 4.779e-01 5.533e-02 -1.907e-02 / CHEB/ -4.774e-01 1.283e-01 5.865e-02 1.012e-02 / CHEB/ -2.823e-01 8.917e-03 2.537e-02 4.644e-03 / CHEB/ -7.548e-02 -2.315e-03 4.124e-03 -1.035e-03 /

2646.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.3	-0.8	+0.5	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-0.8	+0.9	+1.1

H298 (kcal/mol) = 0.87
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = 0.26

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(118); C7H10(38)(+M)=>C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.364e+00 -1.192e-01 -1.651e-01 4.792e-03 / CHEB/ 7.130e+00 9.572e-01 -1.576e-01 -3.490e-02 / CHEB/ 3.209e-01 4.781e-01 5.487e-02 -1.971e-02 / CHEB/ -4.694e-01 1.289e-01 5.881e-02 1.020e-02 / CHEB/ -2.799e-01 9.288e-03 2.531e-02 4.780e-03 / CHEB/ -7.470e-02 -2.186e-03 4.108e-03 -1.081e-03 /

2647.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-1.6	-0.4	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-1.6	-0.0	+0.2

Chebyshev(coeffs=[[-7.04359,-0.129966,-0.159003,0.00255871],[6.88235,0.945426,-0.164221,-0.0297421],[0.33089,0.479162,0.0524925,-0.0227721],[-0.470624,0.131575,0.0596393,0.0104892],[-0.281231,0.0109629,0.0250809,0.00543998],[-0.0755197,-0.00159058,0.00400678,-0.00125755]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.21
S298 (cal/mol*K) = -2.66
G298 (kcal/mol) = 4.00

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(119); C7H10(38)(+M)=>C7H10(119)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.044e+00 -1.300e-01 -1.590e-01 2.559e-03 / CHEB/ 6.882e+00 9.454e-01 -1.642e-01 -2.974e-02 / CHEB/ 3.309e-01 4.792e-01 5.249e-02 -2.277e-02 / CHEB/ -4.706e-01 1.316e-01 5.964e-02 1.049e-02 / CHEB/ -2.812e-01 1.096e-02 2.508e-02 5.440e-03 / CHEB/ -7.552e-02 -1.591e-03 4.007e-03 -1.258e-03 /

2648.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.0	-0.5	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-1.9	-0.0	+0.3

Chebyshev(coeffs=[[-8.73389,-0.0243191,-0.214515,0.00778398],[8.80216,1.02899,-0.0958805,-0.0527197],[0.178932,0.467512,0.0631185,-0.00395249],[-0.474934,0.10608,0.0569056,0.00610063],[-0.270794,-0.00469375,0.0270298,0.00229132],[-0.0692057,-0.00646337,0.00345197,0.00140379]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.27
S298 (cal/mol*K) = 2.72
G298 (kcal/mol) = 11.45

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(120); C7H10(38)(+M)=>C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.734e+00 -2.432e-02 -2.145e-01 7.784e-03 / CHEB/ 8.802e+00 1.029e+00 -9.588e-02 -5.272e-02 / CHEB/ 1.789e-01 4.675e-01 6.312e-02 -3.952e-03 / CHEB/ -4.749e-01 1.061e-01 5.691e-02 6.101e-03 / CHEB/ -2.708e-01 -4.694e-03 2.703e-02 2.291e-03 / CHEB/ -6.921e-02 -6.463e-03 3.452e-03 1.404e-03 /

2649.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-0.4	+0.4	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-0.5	+0.6	+0.7

Chebyshev(coeffs=[[-4.26395,-0.23646,-0.126269,-0.0352187],[4.547,0.798059,-0.17156,0.0406026],[0.406947,0.474242,-0.004942,-0.0473664],[-0.417735,0.163089,0.0678662,-0.000344533],[-0.28298,0.0279613,0.0318108,0.0156912],[-0.0711237,0.00360623,0.000311191,0.00143225]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.05
S298 (cal/mol*K) = -24.01
G298 (kcal/mol) = -64.90

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(121); C7H10(38)(+M)=>C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.264e+00 -2.365e-01 -1.263e-01 -3.522e-02 / CHEB/ 4.547e+00 7.981e-01 -1.716e-01 4.060e-02 / CHEB/ 4.069e-01 4.742e-01 -4.942e-03 -4.737e-02 / CHEB/ -4.177e-01 1.631e-01 6.787e-02 -3.445e-04 / CHEB/ -2.830e-01 2.796e-02 3.181e-02 1.569e-02 / CHEB/ -7.112e-02 3.606e-03 3.112e-04 1.432e-03 /

2650.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+4.6	+6.3	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+4.7	+6.8	+7.2

Chebyshev(coeffs=[[-2.55653,0.01713,-0.224531,0.00478851],[9.45035,1.06361,-0.0784526,-0.0526008],[0.211053,0.468738,0.0682686,-0.0017096],[-0.465938,0.0967661,0.0585975,0.00522381],[-0.262952,-0.0117998,0.0271868,0.00256254],[-0.0661204,-0.00912847,0.00257102,0.00239783]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.81
S298 (cal/mol*K) = 18.72
G298 (kcal/mol) = 10.23

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(122); C7H10(38)(+M)=>C7H10(122)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.557e+00 1.713e-02 -2.245e-01 4.789e-03 / CHEB/ 9.450e+00 1.064e+00 -7.845e-02 -5.260e-02 / CHEB/ 2.111e-01 4.687e-01 6.827e-02 -1.710e-03 / CHEB/ -4.659e-01 9.677e-02 5.860e-02 5.224e-03 / CHEB/ -2.630e-01 -1.180e-02 2.719e-02 2.563e-03 / CHEB/ -6.612e-02 -9.128e-03 2.571e-03 2.398e-03 /

2651.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+2.6	+4.7	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-6.9	+2.9	+5.3	+5.9

Chebyshev(coeffs=[[-5.8233,0.147492,-0.265892,-0.0127901],[11.5292,1.09376,-0.0219819,-0.0370465],[0.0237232,0.437242,0.0748362,-0.00191379],[-0.464269,0.061156,0.0611582,0.00178359],[-0.243329,-0.0275316,0.0244812,0.00619728],[-0.0569706,-0.0104905,-0.00119955,0.00521856]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.25
S298 (cal/mol*K) = 16.09
G298 (kcal/mol) = 4.46

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(123); C7H10(38)(+M)=>C7H10(123)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.823e+00 1.475e-01 -2.659e-01 -1.279e-02 / CHEB/ 1.153e+01 1.094e+00 -2.198e-02 -3.705e-02 / CHEB/ 2.372e-02 4.372e-01 7.484e-02 -1.914e-03 / CHEB/ -4.643e-01 6.116e-02 6.116e-02 1.784e-03 / CHEB/ -2.433e-01 -2.753e-02 2.448e-02 6.197e-03 / CHEB/ -5.697e-02 -1.049e-02 -1.200e-03 5.219e-03 /

2652.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	+2.7	+4.4	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-5.6	+2.8	+4.9	+5.3

Chebyshev(coeffs=[[-4.42959,0.00685203,-0.227324,0.00501602],[9.47518,1.04481,-0.0784982,-0.0520415],[0.177386,0.463325,0.0645477,-0.00192661],[-0.464426,0.0983863,0.0574044,0.0047757],[-0.263123,-0.00906621,0.0271733,0.00243626],[-0.0659167,-0.00756115,0.00284503,0.00230154]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.98
S298 (cal/mol*K) = 20.48
G298 (kcal/mol) = 9.88

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(124); C7H10(38)(+M)=>C7H10(124)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.430e+00 6.852e-03 -2.273e-01 5.016e-03 / CHEB/ 9.475e+00 1.045e+00 -7.850e-02 -5.204e-02 / CHEB/ 1.774e-01 4.633e-01 6.455e-02 -1.927e-03 / CHEB/ -4.644e-01 9.839e-02 5.740e-02 4.776e-03 / CHEB/ -2.631e-01 -9.066e-03 2.717e-02 2.436e-03 / CHEB/ -6.592e-02 -7.561e-03 2.845e-03 2.302e-03 /

2653.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	+1.4	+2.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-6.5	+1.5	+3.3	+3.6

Chebyshev(coeffs=[[-5.34208,-0.0117419,-0.219904,0.00679155],[8.78061,1.03568,-0.0886284,-0.0526792],[0.112745,0.465881,0.0636855,-0.00300095],[-0.489935,0.102994,0.0570704,0.00554924],[-0.274085,-0.00647028,0.0271189,0.00230533],[-0.0701238,-0.00692399,0.00322451,0.00177007]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.51
S298 (cal/mol*K) = 20.05
G298 (kcal/mol) = 7.54

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(125); C7H10(38)(+M)=>C7H10(125)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.342e+00 -1.174e-02 -2.199e-01 6.792e-03 / CHEB/ 8.781e+00 1.036e+00 -8.863e-02 -5.268e-02 / CHEB/ 1.127e-01 4.659e-01 6.369e-02 -3.001e-03 / CHEB/ -4.899e-01 1.030e-01 5.707e-02 5.549e-03 / CHEB/ -2.741e-01 -6.470e-03 2.712e-02 2.305e-03 / CHEB/ -7.012e-02 -6.924e-03 3.225e-03 1.770e-03 /

2654.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-1.8	-0.0	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-1.6	+0.5	+1.0

Chebyshev(coeffs=[[-9.24454,0.0491649,-0.241915,6.46406e-05],[9.97723,1.06282,-0.058033,-0.0487556],[0.0946821,0.456791,0.0668374,-0.000690115],[-0.474514,0.0876365,0.0584412,0.00327908],[-0.260555,-0.0148766,0.0269454,0.00314609],[-0.0643011,-0.00881332,0.00181565,0.00342303]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.69
S298 (cal/mol*K) = -2.34
G298 (kcal/mol) = 15.39

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(126); C7H10(38)(+M)=>C7H10(126)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.245e+00 4.916e-02 -2.419e-01 6.464e-05 / CHEB/ 9.977e+00 1.063e+00 -5.803e-02 -4.876e-02 / CHEB/ 9.468e-02 4.568e-01 6.684e-02 -6.901e-04 / CHEB/ -4.745e-01 8.764e-02 5.844e-02 3.279e-03 / CHEB/ -2.606e-01 -1.488e-02 2.695e-02 3.146e-03 / CHEB/ -6.430e-02 -8.813e-03 1.816e-03 3.423e-03 /

2655.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-0.4	+1.3	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-0.2	+1.9	+2.3

Chebyshev(coeffs=[[-7.84916,0.044726,-0.240524,0.000624136],[9.94374,1.06109,-0.0600201,-0.049189],[0.107101,0.457524,0.0665708,-0.000752733],[-0.472344,0.0887843,0.058319,0.00341551],[-0.260467,-0.0142722,0.0269925,0.00304833],[-0.0643372,-0.00869525,0.0019333,0.00331312]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.78
S298 (cal/mol*K) = 1.24
G298 (kcal/mol) = 18.41

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(127); C7H10(38)(+M)=>C7H10(127)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.849e+00 4.473e-02 -2.405e-01 6.241e-04 / CHEB/ 9.944e+00 1.061e+00 -6.002e-02 -4.919e-02 / CHEB/ 1.071e-01 4.575e-01 6.657e-02 -7.527e-04 / CHEB/ -4.723e-01 8.878e-02 5.832e-02 3.416e-03 / CHEB/ -2.605e-01 -1.427e-02 2.699e-02 3.048e-03 / CHEB/ -6.434e-02 -8.695e-03 1.933e-03 3.313e-03 /

2656.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-2.9	-1.5	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-2.7	-1.0	-0.8

Chebyshev(coeffs=[[-10.0846,0.0785036,-0.250389,-0.00376279],[9.3824,1.07337,-0.0457206,-0.0455391],[-0.165235,0.45167,0.0687604,-0.000602288],[-0.541239,0.0799509,0.0592944,0.00251967],[-0.278641,-0.0187877,0.026486,0.00389966],[-0.0701893,-0.00950302,0.000991604,0.00409331]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.10
S298 (cal/mol*K) = -1.37
G298 (kcal/mol) = -10.70

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(128); C7H10(38)(+M)=>C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.008e+01 7.850e-02 -2.504e-01 -3.763e-03 / CHEB/ 9.382e+00 1.073e+00 -4.572e-02 -4.554e-02 / CHEB/ -1.652e-01 4.517e-01 6.876e-02 -6.023e-04 / CHEB/ -5.412e-01 7.995e-02 5.929e-02 2.520e-03 / CHEB/ -2.786e-01 -1.879e-02 2.649e-02 3.900e-03 / CHEB/ -7.019e-02 -9.503e-03 9.916e-04 4.093e-03 /

2657.

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PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-0.5	+2.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-11.5	+0.3	+3.7	+4.8

Chebyshev(coeffs=[[-11.4861,1.66122,-0.195773,-0.0752215],[15.9664,0.204733,0.106049,0.0290418],[-0.106248,0.0500977,0.0301889,0.0124678],[-0.294954,-0.00871952,-0.00116519,0.00315315],[-0.191534,0.00019129,0.000381266,0.000537382],[-0.0791596,0.00427931,0.00194037,0.000277488]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.12
S298 (cal/mol*K) = 33.19
G298 (kcal/mol) = 40.23

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C3H5(129); C7H10(38), C4H5(99); C7H10(38)(+M)=>C3H5(129)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.149e+01 1.661e+00 -1.958e-01 -7.522e-02 / CHEB/ 1.597e+01 2.047e-01 1.060e-01 2.904e-02 / CHEB/ -1.062e-01 5.010e-02 3.019e-02 1.247e-02 / CHEB/ -2.950e-01 -8.720e-03 -1.165e-03 3.153e-03 / CHEB/ -1.915e-01 1.913e-04 3.813e-04 5.374e-04 / CHEB/ -7.916e-02 4.279e-03 1.940e-03 2.775e-04 /

2658.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+1.0	+3.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-6.0	+1.8	+4.1	+4.9

Chebyshev(coeffs=[[-5.76515,1.26404,-0.308406,-0.0545255],[9.73239,0.517164,0.154556,-0.0167668],[0.282141,0.0830803,0.0543836,0.0167114],[-0.179061,-0.0315314,-0.00048406,0.0100467],[-0.147788,-0.0121472,-0.00368334,0.00248427],[-0.0583917,0.00828352,0.00165406,-0.000678645]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.30
S298 (cal/mol*K) = 10.27
G298 (kcal/mol) = 23.24

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(130); C7H10(38)(+M)=>H(25)+C7H9(130)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.765e+00 1.264e+00 -3.084e-01 -5.453e-02 / CHEB/ 9.732e+00 5.172e-01 1.546e-01 -1.677e-02 / CHEB/ 2.821e-01 8.308e-02 5.438e-02 1.671e-02 / CHEB/ -1.791e-01 -3.153e-02 -4.841e-04 1.005e-02 / CHEB/ -1.478e-01 -1.215e-02 -3.683e-03 2.484e-03 / CHEB/ -5.839e-02 8.284e-03 1.654e-03 -6.786e-04 /

2659.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-2.3	+1.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-1.5	+2.1	+3.4

Chebyshev(coeffs=[[-13.2568,1.63997,-0.205317,-0.0765311],[16.057,0.22043,0.111817,0.0284853],[0.0779712,0.0509204,0.0308864,0.012858],[-0.23902,-0.00958218,-0.0013197,0.00335547],[-0.172795,-0.000116943,0.000267626,0.000579091],[-0.072779,0.00476761,0.00214318,0.0002958]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.90
S298 (cal/mol*K) = 19.84
G298 (kcal/mol) = 42.99

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(131); C7H10(38)(+M)=>H(25)+C7H9(131)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.326e+01 1.640e+00 -2.053e-01 -7.653e-02 / CHEB/ 1.606e+01 2.204e-01 1.118e-01 2.849e-02 / CHEB/ 7.797e-02 5.092e-02 3.089e-02 1.286e-02 / CHEB/ -2.390e-01 -9.582e-03 -1.320e-03 3.355e-03 / CHEB/ -1.728e-01 -1.169e-04 2.676e-04 5.791e-04 / CHEB/ -7.278e-02 4.768e-03 2.143e-03 2.958e-04 /

2660.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.4	-3.8	-0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-2.9	+0.9	+2.3

Chebyshev(coeffs=[[-15.3103,1.66585,-0.193639,-0.0748781],[17.0323,0.201378,0.104772,0.029119],[0.0907211,0.0499119,0.0300414,0.0123884],[-0.237482,-0.00854375,-0.0011356,0.00310898],[-0.172506,0.000247028,0.000400421,0.000527395],[-0.0723949,0.00416481,0.00189033,0.000270622]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.90
S298 (cal/mol*K) = 17.14
G298 (kcal/mol) = 46.79

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(132); C7H10(38)(+M)=>H(25)+C7H9(132)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.531e+01 1.666e+00 -1.936e-01 -7.488e-02 / CHEB/ 1.703e+01 2.014e-01 1.048e-01 2.912e-02 / CHEB/ 9.072e-02 4.991e-02 3.004e-02 1.239e-02 / CHEB/ -2.375e-01 -8.544e-03 -1.136e-03 3.109e-03 / CHEB/ -1.725e-01 2.470e-04 4.004e-04 5.274e-04 / CHEB/ -7.239e-02 4.165e-03 1.890e-03 2.706e-04 /

2661.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-1.6	+2.3	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-14.8	-0.7	+3.3	+4.8

Chebyshev(coeffs=[[-14.5601,1.72902,-0.162737,-0.068117],[19.0304,0.157832,0.0868105,0.0286578],[-0.128035,0.0476433,0.0284206,0.0115929],[-0.309218,-0.00701671,-0.00112615,0.00241452],[-0.196083,0.000435116,0.000359429,0.000313394],[-0.0783474,0.0022914,0.000971091,4.61703e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.06
S298 (cal/mol*K) = 33.15
G298 (kcal/mol) = 50.17

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C5H7(133); C7H10(38), C2H3(100); C7H10(38)(+M)=>C5H7(133)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.456e+01 1.729e+00 -1.627e-01 -6.812e-02 / CHEB/ 1.903e+01 1.578e-01 8.681e-02 2.866e-02 / CHEB/ -1.280e-01 4.764e-02 2.842e-02 1.159e-02 / CHEB/ -3.092e-01 -7.017e-03 -1.126e-03 2.415e-03 / CHEB/ -1.961e-01 4.351e-04 3.594e-04 3.134e-04 / CHEB/ -7.835e-02 2.291e-03 9.711e-04 4.617e-05 /

2662.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-0.9	+2.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-0.0	+3.3	+4.5

Chebyshev(coeffs=[[-10.829,1.57743,-0.231116,-0.0780944],[14.636,0.268178,0.127256,0.0249473],[0.161914,0.053943,0.0334588,0.0141635],[-0.210807,-0.0126545,-0.00187369,0.00402911],[-0.162537,-0.00143462,-0.000246345,0.00070008],[-0.0691598,0.00594021,0.00253729,0.000251784]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.70
S298 (cal/mol*K) = 16.04
G298 (kcal/mol) = 37.92

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(134); C7H10(38)(+M)=>H(25)+C7H9(134)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.083e+01 1.577e+00 -2.311e-01 -7.809e-02 / CHEB/ 1.464e+01 2.682e-01 1.273e-01 2.495e-02 / CHEB/ 1.619e-01 5.394e-02 3.346e-02 1.416e-02 / CHEB/ -2.108e-01 -1.265e-02 -1.874e-03 4.029e-03 / CHEB/ -1.625e-01 -1.435e-03 -2.463e-04 7.001e-04 / CHEB/ -6.916e-02 5.940e-03 2.537e-03 2.518e-04 /

2663.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-0.9	+2.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-0.0	+3.3	+4.5

H298 (kcal/mol) = 42.70
S298 (cal/mol*K) = 16.04
G298 (kcal/mol) = 37.92

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(135); C7H10(38)(+M)=>H(25)+C7H9(135)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.083e+01 1.577e+00 -2.311e-01 -7.809e-02 / CHEB/ 1.464e+01 2.682e-01 1.273e-01 2.495e-02 / CHEB/ 1.619e-01 5.394e-02 3.346e-02 1.416e-02 / CHEB/ -2.108e-01 -1.265e-02 -1.874e-03 4.029e-03 / CHEB/ -1.625e-01 -1.435e-03 -2.463e-04 7.001e-04 / CHEB/ -6.916e-02 5.940e-03 2.537e-03 2.518e-04 /

2664.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-3.2	+0.7	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-2.3	+1.6	+3.2

Chebyshev(coeffs=[[-15.1916,1.68237,-0.185882,-0.0734903],[17.7287,0.189508,0.100128,0.0292606],[0.0985306,0.0493267,0.0295704,0.0121279],[-0.236793,-0.00798201,-0.00105464,0.0029502],[-0.172416,0.00041239,0.000451792,0.000488493],[-0.0719704,0.00372873,0.00169237,0.000236646]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.10
S298 (cal/mol*K) = 16.72
G298 (kcal/mol) = 49.12

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(136); C7H10(38)(+M)=>H(25)+C7H9(136)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.519e+01 1.682e+00 -1.859e-01 -7.349e-02 / CHEB/ 1.773e+01 1.895e-01 1.001e-01 2.926e-02 / CHEB/ 9.853e-02 4.933e-02 2.957e-02 1.213e-02 / CHEB/ -2.368e-01 -7.982e-03 -1.055e-03 2.950e-03 / CHEB/ -1.724e-01 4.124e-04 4.518e-04 4.885e-04 / CHEB/ -7.197e-02 3.729e-03 1.692e-03 2.366e-04 /

2665.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	+0.2	+3.1	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-9.5	+1.0	+4.0	+5.1

Chebyshev(coeffs=[[-9.41244,1.57153,-0.233374,-0.0780824],[13.946,0.272747,0.128566,0.0244791],[0.0420328,0.0543035,0.0337475,0.0142888],[-0.24579,-0.0129804,-0.00192666,0.00410299],[-0.174024,-0.00158983,-0.000306314,0.00071369],[-0.0731961,0.00603903,0.00256283,0.000241455]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.48
S298 (cal/mol*K) = 24.98
G298 (kcal/mol) = 33.04

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), CH2(137); C7H10(38), C6H8(94); C7H10(38)(+M)=>CH2(137)+C6H8(94)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.412e+00 1.572e+00 -2.334e-01 -7.808e-02 / CHEB/ 1.395e+01 2.727e-01 1.286e-01 2.448e-02 / CHEB/ 4.203e-02 5.430e-02 3.375e-02 1.429e-02 / CHEB/ -2.458e-01 -1.298e-02 -1.927e-03 4.103e-03 / CHEB/ -1.740e-01 -1.590e-03 -3.063e-04 7.137e-04 / CHEB/ -7.320e-02 6.039e-03 2.563e-03 2.415e-04 /

2666.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+4.2	+5.0	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+4.8	+5.8	+6.0

Chebyshev(coeffs=[[1.02815,0.649186,-0.265378,-0.0360843],[4.01853,0.965637,0.0202525,-0.0158922],[0.371438,0.182212,0.0659204,-0.0203428],[-0.216203,-0.0464131,0.0361679,0.0103459],[-0.147649,-0.0365241,0.00174266,0.0116688],[-0.039266,0.00181613,-0.00556226,0.00160338]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.21
S298 (cal/mol*K) = -3.35
G298 (kcal/mol) = -2.22

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(138); C7H10(38)(+M)=>C7H10(138)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.028e+00 6.492e-01 -2.654e-01 -3.608e-02 / CHEB/ 4.019e+00 9.656e-01 2.025e-02 -1.589e-02 / CHEB/ 3.714e-01 1.822e-01 6.592e-02 -2.034e-02 / CHEB/ -2.162e-01 -4.641e-02 3.617e-02 1.035e-02 / CHEB/ -1.476e-01 -3.652e-02 1.743e-03 1.167e-02 / CHEB/ -3.927e-02 1.816e-03 -5.562e-03 1.603e-03 /

2667.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	+1.8	+4.1	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-5.6	+2.6	+5.0	+5.8

Chebyshev(coeffs=[[-5.398,1.32269,-0.300654,-0.0611092],[10.3383,0.470418,0.15653,-0.00782771],[0.241413,0.0762125,0.0498821,0.0171319],[-0.188336,-0.0280099,-0.00160628,0.00873314],[-0.151544,-0.00987367,-0.00309685,0.00196411],[-0.0610573,0.00815319,0.00209199,-0.000509596]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.61
S298 (cal/mol*K) = -1.23
G298 (kcal/mol) = 22.97

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(139); C7H10(38)(+M)=>C7H10(139)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.398e+00 1.323e+00 -3.007e-01 -6.111e-02 / CHEB/ 1.034e+01 4.704e-01 1.565e-01 -7.828e-03 / CHEB/ 2.414e-01 7.621e-02 4.988e-02 1.713e-02 / CHEB/ -1.883e-01 -2.801e-02 -1.606e-03 8.733e-03 / CHEB/ -1.515e-01 -9.874e-03 -3.097e-03 1.964e-03 / CHEB/ -6.106e-02 8.153e-03 2.092e-03 -5.096e-04 /

2668.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+2.1	+4.3	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-5.2	+2.9	+5.2	+6.0

Chebyshev(coeffs=[[-5.04935,1.32316,-0.300576,-0.0611586],[10.2513,0.470068,0.156533,-0.00775877],[0.220801,0.0761363,0.0498446,0.0171365],[-0.194436,-0.0279761,-0.00161391,0.00872156],[-0.15356,-0.00985312,-0.00309144,0.00195985],[-0.0617747,0.00815064,0.00209512,-0.000507929]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.48
S298 (cal/mol*K) = 0.24
G298 (kcal/mol) = 22.40

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(140); C7H10(38)(+M)=>C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.049e+00 1.323e+00 -3.006e-01 -6.116e-02 / CHEB/ 1.025e+01 4.701e-01 1.565e-01 -7.759e-03 / CHEB/ 2.208e-01 7.614e-02 4.984e-02 1.714e-02 / CHEB/ -1.944e-01 -2.798e-02 -1.614e-03 8.722e-03 / CHEB/ -1.536e-01 -9.853e-03 -3.091e-03 1.960e-03 / CHEB/ -6.177e-02 8.151e-03 2.095e-03 -5.079e-04 /

2669.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+2.1	+4.1	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+2.8	+4.9	+5.7

Chebyshev(coeffs=[[-4.03721,1.17142,-0.312652,-0.0433045],[8.70443,0.601129,0.146137,-0.0304482],[0.373741,0.0915998,0.0621479,0.0158042],[-0.165185,-0.0381669,0.00191424,0.01224],[-0.162354,-0.0148226,-0.00461236,0.00324927],[-0.0507775,0.00816642,0.000807349,-0.00088364]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.29
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = 7.09

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(141); C7H10(38)(+M)=>C7H10(141)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.037e+00 1.171e+00 -3.127e-01 -4.330e-02 / CHEB/ 8.704e+00 6.011e-01 1.461e-01 -3.045e-02 / CHEB/ 3.737e-01 9.160e-02 6.215e-02 1.580e-02 / CHEB/ -1.652e-01 -3.817e-02 1.914e-03 1.224e-02 / CHEB/ -1.624e-01 -1.482e-02 -4.612e-03 3.249e-03 / CHEB/ -5.078e-02 8.166e-03 8.073e-04 -8.836e-04 /

2670.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-1.0	+1.9	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-0.2	+2.9	+4.0

Chebyshev(coeffs=[[-10.1148,1.51449,-0.253271,-0.0763881],[13.3296,0.321479,0.141415,0.0190509],[0.188167,0.0579016,0.0369433,0.0156777],[-0.198687,-0.0165134,-0.0024526,0.00492045],[-0.141168,-0.00352408,-0.00107527,0.000841566],[-0.0702395,0.00682937,0.00266879,7.72355e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.61
S298 (cal/mol*K) = -1.23
G298 (kcal/mol) = 22.97

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(142); C7H10(38)(+M)=>C7H10(142)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.011e+01 1.514e+00 -2.533e-01 -7.639e-02 / CHEB/ 1.333e+01 3.215e-01 1.414e-01 1.905e-02 / CHEB/ 1.882e-01 5.790e-02 3.694e-02 1.568e-02 / CHEB/ -1.987e-01 -1.651e-02 -2.453e-03 4.920e-03 / CHEB/ -1.412e-01 -3.524e-03 -1.075e-03 8.416e-04 / CHEB/ -7.024e-02 6.829e-03 2.669e-03 7.724e-05 /

2671.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	+1.1	+3.2	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+1.8	+4.0	+4.8

Chebyshev(coeffs=[[-5.83042,1.09012,-0.421209,-0.10344],[9.80124,0.677867,0.253456,0.0185544],[0.18503,0.0513257,0.0399536,0.0167827],[-0.187943,-0.0442402,-0.00984422,0.00522002],[-0.137231,-0.000154432,0.00270825,0.00424916],[-0.0517086,0.0178486,0.00807804,0.00250117]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.68
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = 24.73

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(143); C7H10(38)(+M)=>C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.830e+00 1.090e+00 -4.212e-01 -1.034e-01 / CHEB/ 9.801e+00 6.779e-01 2.535e-01 1.855e-02 / CHEB/ 1.850e-01 5.133e-02 3.995e-02 1.678e-02 / CHEB/ -1.879e-01 -4.424e-02 -9.844e-03 5.220e-03 / CHEB/ -1.372e-01 -1.544e-04 2.708e-03 4.249e-03 / CHEB/ -5.171e-02 1.785e-02 8.078e-03 2.501e-03 /

2672.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	+1.0	+2.8	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.1	+1.7	+3.6	+4.2

Chebyshev(coeffs=[[-4.93966,1.16937,-0.314598,-0.0436395],[8.31848,0.592133,0.144614,-0.03025],[0.226078,0.0951854,0.0616041,0.0149753],[-0.2014,-0.0369343,0.00234187,0.0120817],[-0.15418,-0.0158971,-0.00443209,0.00349244],[-0.0582702,0.00825403,0.000748196,-0.000870474]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.48
S298 (cal/mol*K) = 2.94
G298 (kcal/mol) = 18.60

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(144); C7H10(38)(+M)=>C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.940e+00 1.169e+00 -3.146e-01 -4.364e-02 / CHEB/ 8.318e+00 5.921e-01 1.446e-01 -3.025e-02 / CHEB/ 2.261e-01 9.519e-02 6.160e-02 1.498e-02 / CHEB/ -2.014e-01 -3.693e-02 2.342e-03 1.208e-02 / CHEB/ -1.542e-01 -1.590e-02 -4.432e-03 3.492e-03 / CHEB/ -5.827e-02 8.254e-03 7.482e-04 -8.705e-04 /

2673.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+1.2	+2.4	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+1.9	+3.2	+3.6

Chebyshev(coeffs=[[-2.77056,0.804816,-0.282513,-0.0245883],[5.36355,0.866127,0.0520633,-0.0403953],[0.388159,0.15258,0.0777869,-0.00652489],[-0.193319,-0.0504841,0.0236781,0.0146374],[-0.145359,-0.0305051,-0.00298974,0.00916397],[-0.0441535,0.00543657,-0.00385832,7.73963e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.11
S298 (cal/mol*K) = -8.46
G298 (kcal/mol) = 9.63

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(145); C7H10(38)(+M)=>C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.771e+00 8.048e-01 -2.825e-01 -2.459e-02 / CHEB/ 5.364e+00 8.661e-01 5.206e-02 -4.040e-02 / CHEB/ 3.882e-01 1.526e-01 7.779e-02 -6.525e-03 / CHEB/ -1.933e-01 -5.048e-02 2.368e-02 1.464e-02 / CHEB/ -1.454e-01 -3.051e-02 -2.990e-03 9.164e-03 / CHEB/ -4.415e-02 5.437e-03 -3.858e-03 7.740e-05 /

2674.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+1.9	+3.5	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+2.6	+4.3	+4.9

Chebyshev(coeffs=[[-2.58544,0.882323,-0.283835,-0.0248144],[6.23858,0.857716,0.0752886,-0.0435663],[0.558755,0.129125,0.0831751,0.000430306],[-0.145995,-0.0559016,0.0178431,0.0169281],[-0.133982,-0.0277109,-0.00583316,0.00788242],[-0.045678,0.00730065,-0.00321175,-0.000768135]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.89
S298 (cal/mol*K) = -4.66
G298 (kcal/mol) = 6.27

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(146); C7H10(38)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.585e+00 8.823e-01 -2.838e-01 -2.481e-02 / CHEB/ 6.239e+00 8.577e-01 7.529e-02 -4.357e-02 / CHEB/ 5.588e-01 1.291e-01 8.318e-02 4.303e-04 / CHEB/ -1.460e-01 -5.590e-02 1.784e-02 1.693e-02 / CHEB/ -1.340e-01 -2.771e-02 -5.833e-03 7.882e-03 / CHEB/ -4.568e-02 7.301e-03 -3.212e-03 -7.681e-04 /

2675.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+3.0	+3.6	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+3.5	+4.4	+4.5

Chebyshev(coeffs=[[0.181632,0.573712,-0.262958,-0.0418348],[3.40315,0.985214,0.014171,-0.00442515],[0.325165,0.216507,0.0532927,-0.0235302],[-0.213125,-0.0419066,0.0396279,0.0052255],[-0.148516,-0.0396723,0.00757626,0.0121846],[-0.0358314,-0.000916535,-0.00572411,0.00289041]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.99
S298 (cal/mol*K) = -8.11
G298 (kcal/mol) = -0.58

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(147); C7H10(38)(+M)=>C7H10(147)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.816e-01 5.737e-01 -2.630e-01 -4.183e-02 / CHEB/ 3.403e+00 9.852e-01 1.417e-02 -4.425e-03 / CHEB/ 3.252e-01 2.165e-01 5.329e-02 -2.353e-02 / CHEB/ -2.131e-01 -4.191e-02 3.963e-02 5.225e-03 / CHEB/ -1.485e-01 -3.967e-02 7.576e-03 1.218e-02 / CHEB/ -3.583e-02 -9.165e-04 -5.724e-03 2.890e-03 /

2676.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+4.3	+4.3	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+4.7	+5.0	+4.8

Chebyshev(coeffs=[[2.40815,0.41176,-0.264721,-0.0489915],[1.87659,0.92705,0.00471708,0.0130766],[-0.0479918,0.30565,0.0279153,-0.021081],[-0.252121,0.00675167,0.0308372,-0.00719844],[-0.147471,-0.0376886,0.0183497,0.00744175],[-0.0291959,-0.0102016,0.00126897,0.00488912]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.49
S298 (cal/mol*K) = -15.34
G298 (kcal/mol) = -13.92

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(148); C7H10(38)(+M)=>C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.408e+00 4.118e-01 -2.647e-01 -4.899e-02 / CHEB/ 1.877e+00 9.270e-01 4.717e-03 1.308e-02 / CHEB/ -4.799e-02 3.056e-01 2.792e-02 -2.108e-02 / CHEB/ -2.521e-01 6.752e-03 3.084e-02 -7.198e-03 / CHEB/ -1.475e-01 -3.769e-02 1.835e-02 7.442e-03 / CHEB/ -2.920e-02 -1.020e-02 1.269e-03 4.889e-03 /

2677.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+2.4	+3.3	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+3.0	+4.1	+4.3

Chebyshev(coeffs=[[-1.04952,0.716618,-0.270862,-0.030173],[4.43749,0.925889,0.0303687,-0.0276575],[0.350315,0.167674,0.0736369,-0.0147426],[-0.21696,-0.0489939,0.0307686,0.0128403],[-0.14992,-0.0341375,-0.00093776,0.0106786],[-0.0427243,0.00372684,-0.00485966,0.000847105]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.69
S298 (cal/mol*K) = -6.14
G298 (kcal/mol) = 5.51

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(149); C7H10(38)(+M)=>C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.050e+00 7.166e-01 -2.709e-01 -3.017e-02 / CHEB/ 4.437e+00 9.259e-01 3.037e-02 -2.766e-02 / CHEB/ 3.503e-01 1.677e-01 7.364e-02 -1.474e-02 / CHEB/ -2.170e-01 -4.899e-02 3.077e-02 1.284e-02 / CHEB/ -1.499e-01 -3.414e-02 -9.378e-04 1.068e-02 / CHEB/ -4.272e-02 3.727e-03 -4.860e-03 8.471e-04 /

2678.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.4	+6.1	+6.6	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+6.6	+7.4	+7.4

Chebyshev(coeffs=[[3.6698,0.503254,-0.261461,-0.046387],[2.88814,0.984067,0.0123129,0.00483539],[0.261945,0.264818,0.0418364,-0.0234271],[-0.190822,-0.0274872,0.0384735,-0.000705715],[-0.139551,-0.0442086,0.0144074,0.0112576],[-0.0313279,-0.00578326,-0.00348552,0.00443518]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.01
S298 (cal/mol*K) = -13.65
G298 (kcal/mol) = -43.94

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(150); C7H10(38)(+M)=>C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.670e+00 5.033e-01 -2.615e-01 -4.639e-02 / CHEB/ 2.888e+00 9.841e-01 1.231e-02 4.835e-03 / CHEB/ 2.619e-01 2.648e-01 4.184e-02 -2.343e-02 / CHEB/ -1.908e-01 -2.749e-02 3.847e-02 -7.057e-04 / CHEB/ -1.396e-01 -4.421e-02 1.441e-02 1.126e-02 / CHEB/ -3.133e-02 -5.783e-03 -3.486e-03 4.435e-03 /

2679.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+5.1	+6.2	+6.4
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+5.7	+6.9	+7.2

Chebyshev(coeffs=[[1.62554,0.685458,-0.267929,-0.0328885],[4.56082,0.946135,0.0250376,-0.0221987],[0.431985,0.172778,0.0706053,-0.0175586],[-0.196943,-0.0476124,0.0333454,0.0119175],[-0.141947,-0.0353425,5.21841e-05,0.0111436],[-0.0388398,0.00292924,-0.00517129,0.00116364]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.83
S298 (cal/mol*K) = 0.95
G298 (kcal/mol) = 2.54

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(151); C7H10(38)(+M)=>C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.626e+00 6.855e-01 -2.679e-01 -3.289e-02 / CHEB/ 4.561e+00 9.461e-01 2.504e-02 -2.220e-02 / CHEB/ 4.320e-01 1.728e-01 7.061e-02 -1.756e-02 / CHEB/ -1.969e-01 -4.761e-02 3.335e-02 1.192e-02 / CHEB/ -1.419e-01 -3.534e-02 5.218e-05 1.114e-02 / CHEB/ -3.884e-02 2.929e-03 -5.171e-03 1.164e-03 /

2680.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+5.8	+8.1	+8.9
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+6.6	+9.0	+9.9

Chebyshev(coeffs=[[-1.03884,1.27642,-0.304541,-0.0547796],[9.89085,0.523016,0.158424,-0.0154917],[0.345274,0.0784964,0.0542398,0.0179052],[-0.159186,-0.0327951,-0.00138543,0.00998332],[-0.140345,-0.0117383,-0.00395142,0.0021824],[-0.056588,0.00828111,0.00171063,-0.000715186]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.66
S298 (cal/mol*K) = 13.88
G298 (kcal/mol) = 17.52

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(152); C7H10(38)(+M)=>C7H10(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.039e+00 1.276e+00 -3.045e-01 -5.478e-02 / CHEB/ 9.891e+00 5.230e-01 1.584e-01 -1.549e-02 / CHEB/ 3.453e-01 7.850e-02 5.424e-02 1.791e-02 / CHEB/ -1.592e-01 -3.280e-02 -1.385e-03 9.983e-03 / CHEB/ -1.403e-01 -1.174e-02 -3.951e-03 2.182e-03 / CHEB/ -5.659e-02 8.281e-03 1.711e-03 -7.152e-04 /

2681.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+4.0	+6.2	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+4.8	+7.1	+7.9

Chebyshev(coeffs=[[-2.90227,1.2755,-0.307136,-0.0558395],[9.90425,0.508031,0.155204,-0.015034],[0.287049,0.0817082,0.053498,0.0168296],[-0.17701,-0.0308536,-0.000739532,0.00979135],[-0.147251,-0.0116986,-0.00357473,0.00237618],[-0.058468,0.00826745,0.0017476,-0.00064811]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.66
S298 (cal/mol*K) = 13.88
G298 (kcal/mol) = 17.52

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(153); C7H10(38)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.902e+00 1.276e+00 -3.071e-01 -5.584e-02 / CHEB/ 9.904e+00 5.080e-01 1.552e-01 -1.503e-02 / CHEB/ 2.870e-01 8.171e-02 5.350e-02 1.683e-02 / CHEB/ -1.770e-01 -3.085e-02 -7.395e-04 9.791e-03 / CHEB/ -1.473e-01 -1.170e-02 -3.575e-03 2.376e-03 / CHEB/ -5.847e-02 8.267e-03 1.748e-03 -6.481e-04 /

2682.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+2.7	+4.7	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+3.5	+5.5	+6.2

Chebyshev(coeffs=[[-3.74033,1.2423,-0.31051,-0.0520183],[9.13963,0.534424,0.152993,-0.020006],[0.212576,0.0857737,0.0560622,0.0164282],[-0.200675,-0.0328098,5.45988e-05,0.0105301],[-0.154719,-0.0130037,-0.0038807,0.00269791],[-0.060303,0.00829995,0.00146604,-0.000732461]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.14
S298 (cal/mol*K) = 13.43
G298 (kcal/mol) = 15.14

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(154); C7H10(38)(+M)=>C7H10(154)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.740e+00 1.242e+00 -3.105e-01 -5.202e-02 / CHEB/ 9.140e+00 5.344e-01 1.530e-01 -2.001e-02 / CHEB/ 2.126e-01 8.577e-02 5.606e-02 1.643e-02 / CHEB/ -2.007e-01 -3.281e-02 5.460e-05 1.053e-02 / CHEB/ -1.547e-01 -1.300e-02 -3.881e-03 2.698e-03 / CHEB/ -6.030e-02 8.300e-03 1.466e-03 -7.325e-04 /

2683.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	+0.9	+3.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-6.6	+1.7	+4.1	+4.9

Chebyshev(coeffs=[[-6.41055,1.33188,-0.299151,-0.0620979],[10.4824,0.463127,0.156538,-0.00642462],[0.244621,0.0751333,0.0491808,0.0171613],[-0.187162,-0.0274363,-0.00174026,0.00852575],[-0.151255,-0.009516,-0.00299688,0.00188933],[-0.0611495,0.00812117,0.00215118,-0.000480406]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.41
S298 (cal/mol*K) = -5.38
G298 (kcal/mol) = 26.01

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(155); C7H10(38)(+M)=>C7H10(155)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.411e+00 1.332e+00 -2.992e-01 -6.210e-02 / CHEB/ 1.048e+01 4.631e-01 1.565e-01 -6.425e-03 / CHEB/ 2.446e-01 7.513e-02 4.918e-02 1.716e-02 / CHEB/ -1.872e-01 -2.744e-02 -1.740e-03 8.526e-03 / CHEB/ -1.513e-01 -9.516e-03 -2.997e-03 1.889e-03 / CHEB/ -6.115e-02 8.121e-03 2.151e-03 -4.804e-04 /

2684.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+1.1	+2.4	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+1.1	+2.8	+3.0

Chebyshev(coeffs=[[-4.9552,-0.152133,-0.231149,-0.00839877],[7.77182,1.00025,-0.101619,-0.037529],[0.161185,0.44522,0.0387998,-0.0158625],[-0.474475,0.115745,0.0505804,0.0049926],[-0.281704,0.00875785,0.0278646,0.00391999],[-0.0772511,-0.000385099,0.00583655,0.000853083]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.65
S298 (cal/mol*K) = 22.69
G298 (kcal/mol) = 8.88

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C4H5(156); C7H10(38), C3H5(98); C7H10(38)(+M)=>C4H5(156)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.955e+00 -1.521e-01 -2.311e-01 -8.399e-03 / CHEB/ 7.772e+00 1.000e+00 -1.016e-01 -3.753e-02 / CHEB/ 1.612e-01 4.452e-01 3.880e-02 -1.586e-02 / CHEB/ -4.745e-01 1.157e-01 5.058e-02 4.993e-03 / CHEB/ -2.817e-01 8.758e-03 2.786e-02 3.920e-03 / CHEB/ -7.725e-02 -3.851e-04 5.837e-03 8.531e-04 /

2685.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-3.7	-1.5	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-3.5	-0.9	-0.3

Chebyshev(coeffs=[[-12.4941,0.111892,-0.295136,-0.0268848],[12.0351,1.06712,-0.0133407,-0.0290059],[0.000584619,0.418426,0.06039,-0.00889696],[-0.443632,0.06023,0.0558603,-0.000652667],[-0.240454,-0.0229684,0.0249245,0.00650532],[-0.0602046,-0.00750686,0.000399622,0.00572379]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.57
S298 (cal/mol*K) = 13.44
G298 (kcal/mol) = 28.57

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(157); C7H10(38)(+M)=>H(25)+C7H9(157)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.249e+01 1.119e-01 -2.951e-01 -2.688e-02 / CHEB/ 1.204e+01 1.067e+00 -1.334e-02 -2.901e-02 / CHEB/ 5.846e-04 4.184e-01 6.039e-02 -8.897e-03 / CHEB/ -4.436e-01 6.023e-02 5.586e-02 -6.527e-04 / CHEB/ -2.405e-01 -2.297e-02 2.492e-02 6.505e-03 / CHEB/ -6.020e-02 -7.507e-03 3.996e-04 5.724e-03 /

2686.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-4.6	-1.9	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-4.0	-1.2	-0.4

Chebyshev(coeffs=[[-15.7321,0.517879,-0.334599,-0.0395808],[15.6133,1.0653,0.073036,-0.0285934],[-0.479893,0.289582,0.110193,-0.0070258],[-0.49551,-0.0364025,0.0442062,0.0161822],[-0.220706,-0.0451328,-0.000695908,0.0125929],[-0.0555787,0.000429925,-0.00805206,0.000995349]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.50
S298 (cal/mol*K) = 32.89
G298 (kcal/mol) = 39.69

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C5H7(158); C7H10(38), C2H3(100); C7H10(38)(+M)=>C5H7(158)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.573e+01 5.179e-01 -3.346e-01 -3.958e-02 / CHEB/ 1.561e+01 1.065e+00 7.304e-02 -2.859e-02 / CHEB/ -4.799e-01 2.896e-01 1.102e-01 -7.026e-03 / CHEB/ -4.955e-01 -3.640e-02 4.421e-02 1.618e-02 / CHEB/ -2.207e-01 -4.513e-02 -6.959e-04 1.259e-02 / CHEB/ -5.558e-02 4.299e-04 -8.052e-03 9.953e-04 /

2687.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-4.3	-1.9	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-4.0	-1.3	-0.5

Chebyshev(coeffs=[[-13.6936,0.192748,-0.302277,-0.0331458],[13.0068,1.08787,0.00305307,-0.0234951],[-0.0521883,0.403407,0.0713409,-0.0107784],[-0.443591,0.0391307,0.057736,0.000766175],[-0.222283,-0.0329527,0.0213211,0.00909299],[-0.0587239,-0.00856928,-0.0022746,0.00607539]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.64
S298 (cal/mol*K) = 14.20
G298 (kcal/mol) = 30.41

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(159); C7H10(38)(+M)=>H(25)+C7H9(159)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.369e+01 1.927e-01 -3.023e-01 -3.315e-02 / CHEB/ 1.301e+01 1.088e+00 3.053e-03 -2.350e-02 / CHEB/ -5.219e-02 4.034e-01 7.134e-02 -1.078e-02 / CHEB/ -4.436e-01 3.913e-02 5.774e-02 7.662e-04 / CHEB/ -2.223e-01 -3.295e-02 2.132e-02 9.093e-03 / CHEB/ -5.872e-02 -8.569e-03 -2.275e-03 6.075e-03 /

2688.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-5.9	-3.3	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-5.5	-2.6	-1.6

Chebyshev(coeffs=[[-16.0188,0.311828,-0.312362,-0.0389976],[14.1647,1.09951,0.0253467,-0.0199646],[-0.128569,0.368529,0.0877427,-0.0128857],[-0.398589,0.00550864,0.0569106,0.0055521],[-0.201427,-0.0443009,0.0136083,0.012396],[-0.0295413,-0.00781193,-0.00572301,0.00517678]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.37
S298 (cal/mol*K) = 13.32
G298 (kcal/mol) = 36.40

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(160); C7H10(38)(+M)=>H(25)+C7H9(160)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.602e+01 3.118e-01 -3.124e-01 -3.900e-02 / CHEB/ 1.416e+01 1.100e+00 2.535e-02 -1.996e-02 / CHEB/ -1.286e-01 3.685e-01 8.774e-02 -1.289e-02 / CHEB/ -3.986e-01 5.509e-03 5.691e-02 5.552e-03 / CHEB/ -2.014e-01 -4.430e-02 1.361e-02 1.240e-02 / CHEB/ -2.954e-02 -7.812e-03 -5.723e-03 5.177e-03 /

2689.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.0	-9.9	-6.1	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-9.1	-5.2	-3.7

Chebyshev(coeffs=[[-23.4074,0.845188,-0.364921,-0.0461395],[19.6211,0.932889,0.170869,-0.0355552],[-0.333439,0.172464,0.111347,0.0190176],[-0.409879,-0.0708676,0.0105002,0.0215579],[-0.180479,-0.0347895,-0.0145097,0.00398711],[-0.04551,0.00974753,-0.00431414,-0.0037286]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.67
S298 (cal/mol*K) = 18.94
G298 (kcal/mol) = 56.03

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(161); C7H10(38)(+M)=>H(25)+C7H9(161)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.341e+01 8.452e-01 -3.649e-01 -4.614e-02 / CHEB/ 1.962e+01 9.329e-01 1.709e-01 -3.556e-02 / CHEB/ -3.334e-01 1.725e-01 1.113e-01 1.902e-02 / CHEB/ -4.099e-01 -7.087e-02 1.050e-02 2.156e-02 / CHEB/ -1.805e-01 -3.479e-02 -1.451e-02 3.987e-03 / CHEB/ -4.551e-02 9.748e-03 -4.314e-03 -3.729e-03 /

2690.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.0	-9.9	-6.1	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-9.1	-5.2	-3.7

H298 (kcal/mol) = 61.67
S298 (cal/mol*K) = 18.94
G298 (kcal/mol) = 56.03

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(162); C7H10(38)(+M)=>H(25)+C7H9(162)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.341e+01 8.452e-01 -3.649e-01 -4.614e-02 / CHEB/ 1.962e+01 9.329e-01 1.709e-01 -3.556e-02 / CHEB/ -3.334e-01 1.725e-01 1.113e-01 1.902e-02 / CHEB/ -4.099e-01 -7.087e-02 1.050e-02 2.156e-02 / CHEB/ -1.805e-01 -3.479e-02 -1.451e-02 3.987e-03 / CHEB/ -4.551e-02 9.748e-03 -4.314e-03 -3.729e-03 /

2691.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.5	-9.0	-5.5	-4.2
log₁₀(k(10 bar)/[mole,m,s])	-22.5	-8.4	-4.6	-3.3

Chebyshev(coeffs=[[-21.9789,0.734834,-0.356971,-0.0412245],[18.6495,0.989498,0.138063,-0.0377161],[-0.313363,0.208948,0.115986,0.0100616],[-0.416059,-0.0639123,0.0222747,0.021984],[-0.185565,-0.039531,-0.0116067,0.00738001],[-0.0459671,0.00718971,-0.0062935,-0.00274874]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.17
S298 (cal/mol*K) = 18.94
G298 (kcal/mol) = 52.53

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(163); C7H10(38)(+M)=>H(25)+C7H9(163)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.198e+01 7.348e-01 -3.570e-01 -4.122e-02 / CHEB/ 1.865e+01 9.895e-01 1.381e-01 -3.772e-02 / CHEB/ -3.134e-01 2.089e-01 1.160e-01 1.006e-02 / CHEB/ -4.161e-01 -6.391e-02 2.227e-02 2.198e-02 / CHEB/ -1.856e-01 -3.953e-02 -1.161e-02 7.380e-03 / CHEB/ -4.597e-02 7.190e-03 -6.294e-03 -2.749e-03 /

2692.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.4	-8.5	-4.8	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-7.8	-3.9	-2.5

Chebyshev(coeffs=[[-21.8563,0.798916,-0.36207,-0.0436925],[19.3089,0.957833,0.157422,-0.0371627],[-0.304863,0.187354,0.113845,0.0153982],[-0.406312,-0.0684208,0.0153921,0.021994],[-0.180529,-0.036852,-0.0135125,0.00541298],[-0.0449357,0.00873915,-0.00519519,-0.00339756]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.37
S298 (cal/mol*K) = 18.52
G298 (kcal/mol) = 54.85

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(164); C7H10(38)(+M)=>H(25)+C7H9(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.186e+01 7.989e-01 -3.621e-01 -4.369e-02 / CHEB/ 1.931e+01 9.578e-01 1.574e-01 -3.716e-02 / CHEB/ -3.049e-01 1.874e-01 1.138e-01 1.540e-02 / CHEB/ -4.063e-01 -6.842e-02 1.539e-02 2.199e-02 / CHEB/ -1.805e-01 -3.685e-02 -1.351e-02 5.413e-03 / CHEB/ -4.494e-02 8.739e-03 -5.195e-03 -3.398e-03 /

2693.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-0.5	+0.9	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-0.5	+1.2	+1.4

Chebyshev(coeffs=[[-6.24369,-0.196365,-0.214443,-0.0130487],[7.37355,0.980646,-0.121525,-0.0261214],[0.283479,0.445368,0.0341408,-0.0230448],[-0.454599,0.123425,0.0514783,0.00601669],[-0.278492,0.0142939,0.027445,0.00550578],[-0.0766138,0.00141473,0.00593173,0.000204222]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.10
S298 (cal/mol*K) = 0.16
G298 (kcal/mol) = 7.05

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(165); C7H10(38)(+M)=>C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.244e+00 -1.964e-01 -2.144e-01 -1.305e-02 / CHEB/ 7.374e+00 9.806e-01 -1.215e-01 -2.612e-02 / CHEB/ 2.835e-01 4.454e-01 3.414e-02 -2.304e-02 / CHEB/ -4.546e-01 1.234e-01 5.148e-02 6.017e-03 / CHEB/ -2.785e-01 1.429e-02 2.745e-02 5.506e-03 / CHEB/ -7.661e-02 1.415e-03 5.932e-03 2.042e-04 /

2694.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-0.4	+1.0	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-0.4	+1.4	+1.6

Chebyshev(coeffs=[[-6.23712,-0.194659,-0.215087,-0.0127688],[7.51681,0.981493,-0.120791,-0.0267179],[0.306808,0.445382,0.0343691,-0.0227089],[-0.447052,0.123134,0.051425,0.0059848],[-0.275899,0.0140776,0.0274594,0.00543034],[-0.075676,0.00134253,0.00593475,0.000223337]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.50
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = 7.25

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(166); C7H10(38)(+M)=>C7H10(166)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.237e+00 -1.947e-01 -2.151e-01 -1.277e-02 / CHEB/ 7.517e+00 9.815e-01 -1.208e-01 -2.672e-02 / CHEB/ 3.068e-01 4.454e-01 3.437e-02 -2.271e-02 / CHEB/ -4.471e-01 1.231e-01 5.143e-02 5.985e-03 / CHEB/ -2.759e-01 1.408e-02 2.746e-02 5.430e-03 / CHEB/ -7.568e-02 1.343e-03 5.935e-03 2.233e-04 /

2695.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-3.5	-1.8	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-3.4	-1.4	-0.8

Chebyshev(coeffs=[[-10.2333,-0.0886244,-0.248701,-0.00844746],[9.03797,1.03604,-0.0767298,-0.0431455],[0.14191,0.449559,0.0443401,-0.0106245],[-0.404638,0.103567,0.051894,0.00360216],[-0.174056,-0.00296175,0.0288729,0.00323243],[-0.0583162,-0.00475525,0.00514567,0.00199876]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = -4.91
G298 (kcal/mol) = -2.43

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(167); C7H10(38)(+M)=>C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.023e+01 -8.862e-02 -2.487e-01 -8.447e-03 / CHEB/ 9.038e+00 1.036e+00 -7.673e-02 -4.315e-02 / CHEB/ 1.419e-01 4.496e-01 4.434e-02 -1.062e-02 / CHEB/ -4.046e-01 1.036e-01 5.189e-02 3.602e-03 / CHEB/ -1.741e-01 -2.962e-03 2.887e-02 3.232e-03 / CHEB/ -5.832e-02 -4.755e-03 5.146e-03 1.999e-03 /

2696.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.7	+0.0	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-1.6	+0.5	+1.2

Chebyshev(coeffs=[[-8.68409,-0.0449041,-0.263271,-0.0110211],[9.54457,1.04322,-0.0579245,-0.0429187],[-0.0479639,0.444471,0.0465605,-0.00809019],[-0.388138,0.0950605,0.0522082,0.00200023],[-0.0800486,-0.00728134,0.0286341,0.00316357],[-0.0409302,-0.00567396,0.00445792,0.00303497]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.50
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = 7.25

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(168); C7H10(38)(+M)=>C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.684e+00 -4.490e-02 -2.633e-01 -1.102e-02 / CHEB/ 9.545e+00 1.043e+00 -5.792e-02 -4.292e-02 / CHEB/ -4.796e-02 4.445e-01 4.656e-02 -8.090e-03 / CHEB/ -3.881e-01 9.506e-02 5.221e-02 2.000e-03 / CHEB/ -8.005e-02 -7.281e-03 2.863e-02 3.164e-03 / CHEB/ -4.093e-02 -5.674e-03 4.458e-03 3.035e-03 /

2697.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-2.1	-0.5	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-2.1	-0.1	+0.3

Chebyshev(coeffs=[[-8.36486,-0.154228,-0.224551,-0.0102574],[8.22498,1.01433,-0.107145,-0.0342264],[0.351837,0.451496,0.0408849,-0.0181281],[-0.434772,0.117571,0.0520454,0.00582013],[-0.269065,0.00826533,0.0278293,0.00431107],[-0.0738603,-0.00133173,0.00570427,0.000603898]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.68
S298 (cal/mol*K) = -8.87
G298 (kcal/mol) = 1.96

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(169); C7H10(38)(+M)=>C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.365e+00 -1.542e-01 -2.246e-01 -1.026e-02 / CHEB/ 8.225e+00 1.014e+00 -1.071e-01 -3.423e-02 / CHEB/ 3.518e-01 4.515e-01 4.088e-02 -1.813e-02 / CHEB/ -4.348e-01 1.176e-01 5.205e-02 5.820e-03 / CHEB/ -2.691e-01 8.265e-03 2.783e-02 4.311e-03 / CHEB/ -7.386e-02 -1.332e-03 5.704e-03 6.039e-04 /

2698.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-1.5	+0.3	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-1.4	+0.8	+1.3

Chebyshev(coeffs=[[-8.79452,-0.0549135,-0.262948,-0.0105832],[9.76848,1.03184,-0.0602973,-0.0428102],[0.168219,0.440794,0.0452601,-0.00819261],[-0.440692,0.0974474,0.0513756,0.00194748],[-0.260172,-0.00325541,0.0282573,0.00295009],[-0.0686685,-0.00385027,0.00462212,0.0028925]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.10
S298 (cal/mol*K) = 1.54
G298 (kcal/mol) = 6.64

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(170); C7H10(38)(+M)=>C7H10(170)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.795e+00 -5.491e-02 -2.629e-01 -1.058e-02 / CHEB/ 9.768e+00 1.032e+00 -6.030e-02 -4.281e-02 / CHEB/ 1.682e-01 4.408e-01 4.526e-02 -8.193e-03 / CHEB/ -4.407e-01 9.745e-02 5.138e-02 1.947e-03 / CHEB/ -2.602e-01 -3.255e-03 2.826e-02 2.950e-03 / CHEB/ -6.867e-02 -3.850e-03 4.622e-03 2.892e-03 /

2699.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-1.3	-0.3	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-1.4	-0.1	-0.0

Chebyshev(coeffs=[[-5.51492,-0.344265,-0.191097,-0.0605922],[5.11463,0.875593,-0.123178,0.0566992],[0.437303,0.430414,-0.021339,-0.0536005],[-0.430308,0.149753,0.0596889,-0.0017144],[-0.277308,0.0329694,0.032293,0.0154584],[-0.0776306,0.0080728,0.0032251,0.00221534]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.33
S298 (cal/mol*K) = -7.16
G298 (kcal/mol) = -1.20

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(171); C7H10(38)(+M)=>C7H10(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.515e+00 -3.443e-01 -1.911e-01 -6.059e-02 / CHEB/ 5.115e+00 8.756e-01 -1.232e-01 5.670e-02 / CHEB/ 4.373e-01 4.304e-01 -2.134e-02 -5.360e-02 / CHEB/ -4.303e-01 1.498e-01 5.969e-02 -1.714e-03 / CHEB/ -2.773e-01 3.297e-02 3.229e-02 1.546e-02 / CHEB/ -7.763e-02 8.073e-03 3.225e-03 2.215e-03 /

2700.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.3	-7.9	-5.5	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-7.6	-4.8	-4.0

Chebyshev(coeffs=[[-17.5762,0.237762,-0.306826,-0.0359608],[13.3227,1.09175,0.0109744,-0.0212932],[0.00275687,0.389133,0.0775488,-0.0119588],[-0.412654,0.026384,0.0578837,0.0022068],[-0.284898,-0.0358723,0.0184018,0.0104349],[-0.0320068,-0.00819799,-0.00358273,0.00591255]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.42
S298 (cal/mol*K) = -3.37
G298 (kcal/mol) = 29.42

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(172); C7H10(38)(+M)=>C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.758e+01 2.378e-01 -3.068e-01 -3.596e-02 / CHEB/ 1.332e+01 1.092e+00 1.097e-02 -2.129e-02 / CHEB/ 2.757e-03 3.891e-01 7.755e-02 -1.196e-02 / CHEB/ -4.127e-01 2.638e-02 5.788e-02 2.207e-03 / CHEB/ -2.849e-01 -3.587e-02 1.840e-02 1.043e-02 / CHEB/ -3.201e-02 -8.198e-03 -3.583e-03 5.913e-03 /

2701.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-6.3	-4.1	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-6.1	-3.4	-2.7

Chebyshev(coeffs=[[-15.4033,0.151728,-0.299886,-0.0304343],[12.4853,1.07296,-0.00528535,-0.0256256],[-0.0467183,0.4102,0.0652147,-0.0100826],[-0.447316,0.0503078,0.056711,-0.000234909],[-0.236847,-0.0272062,0.0232709,0.00776905],[-0.0587276,-0.00776619,-0.000815506,0.00597884]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.60
S298 (cal/mol*K) = -1.89
G298 (kcal/mol) = 20.16

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(173); C7H10(38)(+M)=>C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.540e+01 1.517e-01 -2.999e-01 -3.043e-02 / CHEB/ 1.249e+01 1.073e+00 -5.285e-03 -2.563e-02 / CHEB/ -4.672e-02 4.102e-01 6.521e-02 -1.008e-02 / CHEB/ -4.473e-01 5.031e-02 5.671e-02 -2.349e-04 / CHEB/ -2.368e-01 -2.721e-02 2.327e-02 7.769e-03 / CHEB/ -5.873e-02 -7.766e-03 -8.155e-04 5.979e-03 /

2702.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-3.6	-2.2	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-3.7	-1.8	-1.5

Chebyshev(coeffs=[[-9.61004,-0.186373,-0.218218,-0.0115476],[7.71049,0.985491,-0.117188,-0.0293991],[0.309586,0.445426,0.0354288,-0.0211637],[-0.443143,0.121719,0.0511795,0.00582864],[-0.274061,0.0130356,0.0275342,0.00507635],[-0.0749316,0.000996467,0.00594144,0.000324483]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.47
S298 (cal/mol*K) = -7.28
G298 (kcal/mol) = 6.63

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(174); C7H10(38)(+M)=>C7H10(174)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.610e+00 -1.864e-01 -2.182e-01 -1.155e-02 / CHEB/ 7.710e+00 9.855e-01 -1.172e-01 -2.940e-02 / CHEB/ 3.096e-01 4.454e-01 3.543e-02 -2.116e-02 / CHEB/ -4.431e-01 1.217e-01 5.118e-02 5.829e-03 / CHEB/ -2.741e-01 1.304e-02 2.753e-02 5.076e-03 / CHEB/ -7.493e-02 9.965e-04 5.941e-03 3.245e-04 /

2703.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-6.7	-4.5	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-6.5	-3.9	-3.2

Chebyshev(coeffs=[[-15.9577,0.177668,-0.302633,-0.0324692],[12.6518,1.07622,-0.000341621,-0.0237624],[-0.103007,0.404231,0.0685454,-0.0108622],[-0.457349,0.0436981,0.0571122,0.000271042],[-0.237118,-0.0297957,0.0220249,0.00859339],[-0.0587566,-0.00778052,-0.00161479,0.00603787]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.77
S298 (cal/mol*K) = -1.66
G298 (kcal/mol) = 26.26

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(175); C7H10(38)(+M)=>C7H10(175)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.596e+01 1.777e-01 -3.026e-01 -3.247e-02 / CHEB/ 1.265e+01 1.076e+00 -3.416e-04 -2.376e-02 / CHEB/ -1.030e-01 4.042e-01 6.855e-02 -1.086e-02 / CHEB/ -4.573e-01 4.370e-02 5.711e-02 2.710e-04 / CHEB/ -2.371e-01 -2.980e-02 2.202e-02 8.593e-03 / CHEB/ -5.876e-02 -7.781e-03 -1.615e-03 6.038e-03 /

2704.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.7	-5.7	-3.7	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-5.6	-3.2	-2.6

Chebyshev(coeffs=[[-13.9703,0.0543397,-0.286698,-0.0211052],[11.1639,1.05698,-0.02658,-0.0345234],[0.028644,0.428313,0.0541866,-0.00754172],[-0.450618,0.0739284,0.0543054,-0.000481717],[-0.249974,-0.0164166,0.0267272,0.00482495],[-0.0639743,-0.00667466,0.00206857,0.00502436]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.60
S298 (cal/mol*K) = -1.89
G298 (kcal/mol) = 20.16

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(176); C7H10(38)(+M)=>C7H10(176)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.397e+01 5.434e-02 -2.867e-01 -2.111e-02 / CHEB/ 1.116e+01 1.057e+00 -2.658e-02 -3.452e-02 / CHEB/ 2.864e-02 4.283e-01 5.419e-02 -7.542e-03 / CHEB/ -4.506e-01 7.393e-02 5.431e-02 -4.817e-04 / CHEB/ -2.500e-01 -1.642e-02 2.673e-02 4.825e-03 / CHEB/ -6.397e-02 -6.675e-03 2.069e-03 5.024e-03 /

2705.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.1	-7.7	-5.3	-4.6
log₁₀(k(10 bar)/[mole,m,s])	-18.3	-7.4	-4.6	-3.8

Chebyshev(coeffs=[[-17.4209,0.225579,-0.307216,-0.0355752],[13.4578,1.08117,0.0084741,-0.0212005],[-0.091339,0.391892,0.0749976,-0.0121437],[-0.442185,0.0312756,0.0574457,0.00165884],[-0.226656,-0.034164,0.019397,0.0100454],[-0.055054,-0.00750475,-0.00306166,0.00592635]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.42
S298 (cal/mol*K) = -3.37
G298 (kcal/mol) = 29.42

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(177); C7H10(38)(+M)=>C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.742e+01 2.256e-01 -3.072e-01 -3.558e-02 / CHEB/ 1.346e+01 1.081e+00 8.474e-03 -2.120e-02 / CHEB/ -9.134e-02 3.919e-01 7.500e-02 -1.214e-02 / CHEB/ -4.422e-01 3.128e-02 5.745e-02 1.659e-03 / CHEB/ -2.267e-01 -3.416e-02 1.940e-02 1.005e-02 / CHEB/ -5.505e-02 -7.505e-03 -3.062e-03 5.926e-03 /

2706.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.4	-3.4	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-5.3	-2.8	-2.2

Chebyshev(coeffs=[[-13.8852,0.0712496,-0.289411,-0.0228568],[11.4801,1.06015,-0.0224377,-0.0328699],[0.0325686,0.425661,0.0559008,-0.00786961],[-0.444873,0.069992,0.0547878,-0.000623916],[-0.24596,-0.0183816,0.0262708,0.00528873],[-0.0624222,-0.00697105,0.00159397,0.00526751]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.80
S298 (cal/mol*K) = -2.31
G298 (kcal/mol) = 22.48

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(178); C7H10(38)(+M)=>C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.389e+01 7.125e-02 -2.894e-01 -2.286e-02 / CHEB/ 1.148e+01 1.060e+00 -2.244e-02 -3.287e-02 / CHEB/ 3.257e-02 4.257e-01 5.590e-02 -7.870e-03 / CHEB/ -4.449e-01 6.999e-02 5.479e-02 -6.239e-04 / CHEB/ -2.460e-01 -1.838e-02 2.627e-02 5.289e-03 / CHEB/ -6.242e-02 -6.971e-03 1.594e-03 5.268e-03 /

2707.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-6.7	-4.5	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-6.5	-3.9	-3.2

H298 (kcal/mol) = 25.77
S298 (cal/mol*K) = -1.66
G298 (kcal/mol) = 26.26

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(179); C7H10(38)(+M)=>C7H10(179)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.596e+01 1.777e-01 -3.026e-01 -3.247e-02 / CHEB/ 1.265e+01 1.076e+00 -3.416e-04 -2.376e-02 / CHEB/ -1.030e-01 4.042e-01 6.855e-02 -1.086e-02 / CHEB/ -4.573e-01 4.370e-02 5.711e-02 2.710e-04 / CHEB/ -2.371e-01 -2.980e-02 2.202e-02 8.593e-03 / CHEB/ -5.876e-02 -7.781e-03 -1.615e-03 6.038e-03 /

2708.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-5.5	-3.5	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-5.3	-3.0	-2.4

Chebyshev(coeffs=[[-13.5579,0.029712,-0.282341,-0.018532],[10.9301,1.05204,-0.0330601,-0.0368818],[0.0745594,0.431835,0.0518502,-0.00721909],[-0.443837,0.079518,0.0535908,-0.000144796],[-0.250811,-0.0135138,0.0272858,0.00421282],[-0.0644971,-0.00616755,0.00272807,0.00461905]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.80
S298 (cal/mol*K) = -2.31
G298 (kcal/mol) = 22.48

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(180); C7H10(38)(+M)=>C7H10(180)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.356e+01 2.971e-02 -2.823e-01 -1.853e-02 / CHEB/ 1.093e+01 1.052e+00 -3.306e-02 -3.688e-02 / CHEB/ 7.456e-02 4.318e-01 5.185e-02 -7.219e-03 / CHEB/ -4.438e-01 7.952e-02 5.359e-02 -1.448e-04 / CHEB/ -2.508e-01 -1.351e-02 2.729e-02 4.213e-03 / CHEB/ -6.450e-02 -6.168e-03 2.728e-03 4.619e-03 /

2709.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-1.3	+0.4	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-1.2	+0.9	+1.4

Chebyshev(coeffs=[[-8.47548,-0.0720441,-0.258077,-0.0094126],[9.52406,1.02708,-0.0668642,-0.0431867],[0.188154,0.442006,0.044151,-0.00892471],[-0.440119,0.100842,0.0510449,0.00248656],[-0.261981,-0.00114949,0.0282863,0.00290271],[-0.0694774,-0.00329403,0.00492124,0.00251172]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.66
S298 (cal/mol*K) = 4.40
G298 (kcal/mol) = 18.34

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(181); C7H10(38)(+M)=>C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.475e+00 -7.204e-02 -2.581e-01 -9.413e-03 / CHEB/ 9.524e+00 1.027e+00 -6.686e-02 -4.319e-02 / CHEB/ 1.882e-01 4.420e-01 4.415e-02 -8.925e-03 / CHEB/ -4.401e-01 1.008e-01 5.104e-02 2.487e-03 / CHEB/ -2.620e-01 -1.149e-03 2.829e-02 2.903e-03 / CHEB/ -6.948e-02 -3.294e-03 4.921e-03 2.512e-03 /

2710.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-1.1	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-0.7	+2.2	+3.0

Chebyshev(coeffs=[[-11.3702,0.293604,-0.312318,-0.0384126],[14.2797,1.09025,0.0213351,-0.0197658],[-0.0634707,0.371047,0.0851344,-0.0129656],[-0.454188,0.0133376,0.0570513,0.00449457],[-0.269463,-0.038138,0.014799,0.0117339],[-0.056911,-0.0062907,-0.00507558,0.00528198]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.50
S298 (cal/mol*K) = 12.05
G298 (kcal/mol) = 16.91

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(182); C7H10(38)(+M)=>C7H10(182)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.137e+01 2.936e-01 -3.123e-01 -3.841e-02 / CHEB/ 1.428e+01 1.090e+00 2.134e-02 -1.977e-02 / CHEB/ -6.347e-02 3.710e-01 8.513e-02 -1.297e-02 / CHEB/ -4.542e-01 1.334e-02 5.705e-02 4.495e-03 / CHEB/ -2.695e-01 -3.814e-02 1.480e-02 1.173e-02 / CHEB/ -5.691e-02 -6.291e-03 -5.076e-03 5.282e-03 /

2711.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-1.1	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-0.7	+2.2	+3.0

H298 (kcal/mol) = 20.50
S298 (cal/mol*K) = 10.67
G298 (kcal/mol) = 17.32

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(183); C7H10(38)(+M)=>C7H10(183)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.137e+01 2.936e-01 -3.123e-01 -3.841e-02 / CHEB/ 1.428e+01 1.090e+00 2.134e-02 -1.977e-02 / CHEB/ -6.347e-02 3.710e-01 8.513e-02 -1.297e-02 / CHEB/ -4.542e-01 1.334e-02 5.705e-02 4.495e-03 / CHEB/ -2.695e-01 -3.814e-02 1.480e-02 1.173e-02 / CHEB/ -5.691e-02 -6.291e-03 -5.076e-03 5.282e-03 /

2712.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-1.2	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-0.8	+2.2	+3.1

Chebyshev(coeffs=[[-11.5657,0.309334,-0.314547,-0.0389471],[14.495,1.08549,0.0241381,-0.0196936],[-0.13685,0.366622,0.0866084,-0.0133307],[-0.435698,0.00959525,0.0564428,0.00524811],[-0.216078,-0.0401757,0.0139921,0.0120803],[-0.0516806,-0.00610269,-0.00532693,0.00509521]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.62
S298 (cal/mol*K) = 11.66
G298 (kcal/mol) = 18.14

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(184); C7H10(38)(+M)=>C7H10(184)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.157e+01 3.093e-01 -3.145e-01 -3.895e-02 / CHEB/ 1.449e+01 1.085e+00 2.414e-02 -1.969e-02 / CHEB/ -1.369e-01 3.666e-01 8.661e-02 -1.333e-02 / CHEB/ -4.357e-01 9.595e-03 5.644e-02 5.248e-03 / CHEB/ -2.161e-01 -4.018e-02 1.399e-02 1.208e-02 / CHEB/ -5.168e-02 -6.103e-03 -5.327e-03 5.095e-03 /

2713.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	-5.6	-3.3	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-5.3	-2.6	-1.9

Chebyshev(coeffs=[[-14.8847,0.181291,-0.303,-0.0327344],[12.8127,1.07665,0.000335506,-0.0235274],[-0.0802956,0.40336,0.0690205,-0.0109684],[-0.449732,0.0427632,0.0571573,0.000356288],[-0.234172,-0.0301497,0.0218409,0.00870723],[-0.05771,-0.0077766,-0.00172513,0.00603949]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.89
S298 (cal/mol*K) = -7.14
G298 (kcal/mol) = 29.02

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(185); C7H10(38)(+M)=>C7H10(185)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.488e+01 1.813e-01 -3.030e-01 -3.273e-02 / CHEB/ 1.281e+01 1.077e+00 3.355e-04 -2.353e-02 / CHEB/ -8.030e-02 4.034e-01 6.902e-02 -1.097e-02 / CHEB/ -4.497e-01 4.276e-02 5.716e-02 3.563e-04 / CHEB/ -2.342e-01 -3.015e-02 2.184e-02 8.707e-03 / CHEB/ -5.771e-02 -7.777e-03 -1.725e-03 6.039e-03 /

2714.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-1.4	-0.5	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.5	-0.2	-0.2

Chebyshev(coeffs=[[-5.94044,-0.297279,-0.190408,-0.0441761],[5.44088,0.915711,-0.136764,0.0303204],[0.341249,0.438893,0.00199846,-0.0479051],[-0.469834,0.141432,0.0589916,0.00436021],[-0.285942,0.0266641,0.0281861,0.0119279],[-0.0810046,0.00609344,0.00451512,0.0005295]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.77
S298 (cal/mol*K) = -16.35
G298 (kcal/mol) = 8.64

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(186); C7H10(38)(+M)=>C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.940e+00 -2.973e-01 -1.904e-01 -4.418e-02 / CHEB/ 5.441e+00 9.157e-01 -1.368e-01 3.032e-02 / CHEB/ 3.412e-01 4.389e-01 1.998e-03 -4.791e-02 / CHEB/ -4.698e-01 1.414e-01 5.899e-02 4.360e-03 / CHEB/ -2.859e-01 2.666e-02 2.819e-02 1.193e-02 / CHEB/ -8.100e-02 6.093e-03 4.515e-03 5.295e-04 /

2715.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-1.2	+1.3	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-0.4	+2.2	+3.0

Chebyshev(coeffs=[[-10.3367,1.4248,-0.324,-0.118578],[13.0313,0.389482,0.196442,0.0507592],[-0.194127,0.0246622,0.0176923,0.00935988],[-0.304704,-0.0252511,-0.0100444,-5.87654e-05],[-0.188026,0.00574022,0.00409215,0.00251662],[-0.0784109,0.0131825,0.00727921,0.00264301]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.54
S298 (cal/mol*K) = 24.04
G298 (kcal/mol) = 34.37

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C4H5(156); C7H10(38), C3H5(129); C7H10(38)(+M)=>C4H5(156)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.034e+01 1.425e+00 -3.240e-01 -1.186e-01 / CHEB/ 1.303e+01 3.895e-01 1.964e-01 5.076e-02 / CHEB/ -1.941e-01 2.466e-02 1.769e-02 9.360e-03 / CHEB/ -3.047e-01 -2.525e-02 -1.004e-02 -5.877e-05 / CHEB/ -1.880e-01 5.740e-03 4.092e-03 2.517e-03 / CHEB/ -7.841e-02 1.318e-02 7.279e-03 2.643e-03 /

2716.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-4.9	-1.4	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-4.0	-0.5	+0.8

Chebyshev(coeffs=[[-16.2033,1.5447,-0.270586,-0.111118],[16.586,0.294299,0.160909,0.052806],[-0.0455893,0.0222503,0.0142016,0.00659447],[-0.269076,-0.0184266,-0.00786177,-0.000482685],[-0.17995,0.00693402,0.00453719,0.00235605],[-0.0764,0.0105401,0.00614543,0.00246993]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.35
S298 (cal/mol*K) = 14.39
G298 (kcal/mol) = 47.06

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(187); C7H10(38)(+M)=>H(25)+C7H9(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.620e+01 1.545e+00 -2.706e-01 -1.111e-01 / CHEB/ 1.659e+01 2.943e-01 1.609e-01 5.281e-02 / CHEB/ -4.559e-02 2.225e-02 1.420e-02 6.594e-03 / CHEB/ -2.691e-01 -1.843e-02 -7.862e-03 -4.827e-04 / CHEB/ -1.799e-01 6.934e-03 4.537e-03 2.356e-03 / CHEB/ -7.640e-02 1.054e-02 6.145e-03 2.470e-03 /

2717.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-2.5	+0.3	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-1.7	+1.2	+2.3

Chebyshev(coeffs=[[-11.4278,1.34344,-0.354902,-0.118869],[12.9817,0.456452,0.216184,0.0452923],[0.118763,0.0278816,0.0212103,0.0113455],[-0.211261,-0.0304777,-0.0112964,0.000587874],[-0.154884,0.00430598,0.00354221,0.00265953],[-0.0653828,0.0144994,0.00767862,0.00260769]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.25
S298 (cal/mol*K) = 6.84
G298 (kcal/mol) = 36.21

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(188); C7H10(38)(+M)=>H(25)+C7H9(188)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.143e+01 1.343e+00 -3.549e-01 -1.189e-01 / CHEB/ 1.298e+01 4.565e-01 2.162e-01 4.529e-02 / CHEB/ 1.188e-01 2.788e-02 2.121e-02 1.135e-02 / CHEB/ -2.113e-01 -3.048e-02 -1.130e-02 5.879e-04 / CHEB/ -1.549e-01 4.306e-03 3.542e-03 2.660e-03 / CHEB/ -6.538e-02 1.450e-02 7.679e-03 2.608e-03 /

2718.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.5	-6.2	-2.1	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-19.7	-5.4	-1.2	+0.4

Chebyshev(coeffs=[[-19.4303,1.6279,-0.228174,-0.100055],[19.4192,0.232803,0.133339,0.0494781],[-0.0830674,0.0224326,0.013357,0.0054325],[-0.290354,-0.0149785,-0.00663383,-0.000604482],[-0.189632,0.00650484,0.00421388,0.0021176],[-0.079055,0.00808119,0.00485611,0.00207224]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.85
S298 (cal/mol*K) = 15.04
G298 (kcal/mol) = 56.37

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(189); C7H10(38)(+M)=>H(25)+C7H9(189)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.943e+01 1.628e+00 -2.282e-01 -1.001e-01 / CHEB/ 1.942e+01 2.328e-01 1.333e-01 4.948e-02 / CHEB/ -8.307e-02 2.243e-02 1.336e-02 5.432e-03 / CHEB/ -2.904e-01 -1.498e-02 -6.634e-03 -6.045e-04 / CHEB/ -1.896e-01 6.505e-03 4.214e-03 2.118e-03 / CHEB/ -7.905e-02 8.081e-03 4.856e-03 2.072e-03 /

2719.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-4.7	-1.4	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-15.4	-3.9	-0.5	+0.9

Chebyshev(coeffs=[[-15.2415,1.49468,-0.293686,-0.115005],[15.4534,0.339243,0.179426,0.0536002],[0.0764898,0.0222219,0.015258,0.00784586],[-0.192794,-0.0218432,-0.0091693,-0.000479851],[-0.153024,0.0063741,0.00423823,0.00231363],[-0.0505415,0.0113067,0.00646848,0.00251144]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.05
S298 (cal/mol*K) = 6.72
G298 (kcal/mol) = 44.05

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(190); C7H10(38)(+M)=>H(25)+C7H9(190)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.524e+01 1.495e+00 -2.937e-01 -1.150e-01 / CHEB/ 1.545e+01 3.392e-01 1.794e-01 5.360e-02 / CHEB/ 7.649e-02 2.222e-02 1.526e-02 7.846e-03 / CHEB/ -1.928e-01 -2.184e-02 -9.169e-03 -4.799e-04 / CHEB/ -1.530e-01 6.374e-03 4.238e-03 2.314e-03 / CHEB/ -5.054e-02 1.131e-02 6.468e-03 2.511e-03 /

2720.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.1	-8.5	-3.9	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-23.3	-7.6	-3.0	-1.2

Chebyshev(coeffs=[[-22.9515,1.66922,-0.205622,-0.0927147],[21.4308,0.204825,0.119691,0.0466812],[-0.0956655,0.022664,0.0132842,0.00520255],[-0.301656,-0.0139553,-0.00635196,-0.000749679],[-0.194223,0.00568333,0.00369892,0.00186849],[-0.0795314,0.00665662,0.00404062,0.00175905]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.35
S298 (cal/mol*K) = 12.34
G298 (kcal/mol) = 63.67

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(191); C7H10(38)(+M)=>H(25)+C7H9(191)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.295e+01 1.669e+00 -2.056e-01 -9.271e-02 / CHEB/ 2.143e+01 2.048e-01 1.197e-01 4.668e-02 / CHEB/ -9.567e-02 2.266e-02 1.328e-02 5.203e-03 / CHEB/ -3.017e-01 -1.396e-02 -6.352e-03 -7.497e-04 / CHEB/ -1.942e-01 5.683e-03 3.699e-03 1.868e-03 / CHEB/ -7.953e-02 6.657e-03 4.041e-03 1.759e-03 /

2721.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.1	-8.5	-3.9	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-23.3	-7.6	-3.0	-1.2

H298 (kcal/mol) = 67.35
S298 (cal/mol*K) = 12.34
G298 (kcal/mol) = 63.67

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(192); C7H10(38)(+M)=>H(25)+C7H9(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.295e+01 1.669e+00 -2.056e-01 -9.271e-02 / CHEB/ 2.143e+01 2.048e-01 1.197e-01 4.668e-02 / CHEB/ -9.567e-02 2.266e-02 1.328e-02 5.203e-03 / CHEB/ -3.017e-01 -1.396e-02 -6.352e-03 -7.497e-04 / CHEB/ -1.942e-01 5.683e-03 3.699e-03 1.868e-03 / CHEB/ -7.953e-02 6.657e-03 4.041e-03 1.759e-03 /

2722.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-4.3	-0.5	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-3.4	+0.4	+1.8

Chebyshev(coeffs=[[-16.9328,1.61854,-0.233152,-0.10155],[18.4913,0.239448,0.136487,0.05003],[-0.198563,0.0223518,0.0133853,0.00551418],[-0.323085,-0.0152874,-0.00673843,-0.000585633],[-0.200183,0.00662734,0.00429194,0.00215817],[-0.0829498,0.008388,0.00502576,0.00213213]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.85
S298 (cal/mol*K) = 23.77
G298 (kcal/mol) = 49.77

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C6H8(193); C7H10(38), CH2(137); C7H10(38)(+M)=>C6H8(193)+CH2(137)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.693e+01 1.619e+00 -2.332e-01 -1.015e-01 / CHEB/ 1.849e+01 2.394e-01 1.365e-01 5.003e-02 / CHEB/ -1.986e-01 2.235e-02 1.339e-02 5.514e-03 / CHEB/ -3.231e-01 -1.529e-02 -6.738e-03 -5.856e-04 / CHEB/ -2.002e-01 6.627e-03 4.292e-03 2.158e-03 / CHEB/ -8.295e-02 8.388e-03 5.026e-03 2.132e-03 /

2723.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+1.1	+2.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+1.8	+3.4	+3.9

Chebyshev(coeffs=[[-4.33823,0.835017,-0.449277,-0.0835721],[7.46866,0.88073,0.237684,-0.0120636],[0.198523,0.0696148,0.0525072,0.0133668],[-0.208682,-0.0637116,-0.0069736,0.00770153],[-0.144179,-0.00911277,0.000320954,0.00546192],[-0.049863,0.0181851,0.00623975,0.00229161]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.78
S298 (cal/mol*K) = -6.44
G298 (kcal/mol) = 14.69

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(194); C7H10(38)(+M)=>C7H10(194)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.338e+00 8.350e-01 -4.493e-01 -8.357e-02 / CHEB/ 7.469e+00 8.807e-01 2.377e-01 -1.206e-02 / CHEB/ 1.985e-01 6.961e-02 5.251e-02 1.337e-02 / CHEB/ -2.087e-01 -6.371e-02 -6.974e-03 7.702e-03 / CHEB/ -1.442e-01 -9.113e-03 3.210e-04 5.462e-03 / CHEB/ -4.986e-02 1.819e-02 6.240e-03 2.292e-03 /

2724.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+1.2	+2.8	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+1.9	+3.6	+4.1

Chebyshev(coeffs=[[-4.33945,0.839989,-0.449185,-0.0839446],[7.62008,0.876317,0.238286,-0.0116115],[0.222137,0.0693723,0.0522293,0.0134398],[-0.200906,-0.0634382,-0.00712431,0.00764854],[-0.14182,-0.00897989,0.000322867,0.00542263],[-0.0490982,0.0181402,0.00627986,0.00228948]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.18
S298 (cal/mol*K) = -5.80
G298 (kcal/mol) = 14.90

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(195); C7H10(38)(+M)=>C7H10(195)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.339e+00 8.400e-01 -4.492e-01 -8.394e-02 / CHEB/ 7.620e+00 8.763e-01 2.383e-01 -1.161e-02 / CHEB/ 2.221e-01 6.937e-02 5.223e-02 1.344e-02 / CHEB/ -2.009e-01 -6.344e-02 -7.124e-03 7.649e-03 / CHEB/ -1.418e-01 -8.980e-03 3.229e-04 5.423e-03 / CHEB/ -4.910e-02 1.814e-02 6.280e-03 2.289e-03 /

2725.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-0.1	+2.1	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-7.4	+0.6	+3.0	+3.8

Chebyshev(coeffs=[[-7.35562,1.12749,-0.41559,-0.107829],[10.3266,0.636482,0.246958,0.0216284],[0.183913,0.0423936,0.0337909,0.0148664],[-0.195234,-0.0450946,-0.0123995,0.00347477],[-0.144952,-0.000936278,0.00180387,0.00344522],[-0.0573816,0.0168445,0.00775084,0.00233547]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.78
S298 (cal/mol*K) = -6.44
G298 (kcal/mol) = 14.69

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(196); C7H10(38)(+M)=>C7H10(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.356e+00 1.127e+00 -4.156e-01 -1.078e-01 / CHEB/ 1.033e+01 6.365e-01 2.470e-01 2.163e-02 / CHEB/ 1.839e-01 4.239e-02 3.379e-02 1.487e-02 / CHEB/ -1.952e-01 -4.509e-02 -1.240e-02 3.475e-03 / CHEB/ -1.450e-01 -9.363e-04 1.804e-03 3.445e-03 / CHEB/ -5.738e-02 1.684e-02 7.751e-03 2.335e-03 /

2726.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-0.4	+1.8	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-7.0	+0.4	+2.7	+3.7

Chebyshev(coeffs=[[-7.31825,1.13539,-0.413253,-0.107981],[10.1694,0.635446,0.248261,0.0227101],[-0.00040875,0.0427795,0.0339623,0.0150362],[-0.146562,-0.0456792,-0.0127946,0.0033966],[0.0174854,-0.00241158,0.00119942,0.00336791],[-0.0357063,0.0164952,0.00758265,0.00228457]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.18
S298 (cal/mol*K) = -5.80
G298 (kcal/mol) = 14.90

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(197); C7H10(38)(+M)=>C7H10(197)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.318e+00 1.135e+00 -4.133e-01 -1.080e-01 / CHEB/ 1.017e+01 6.354e-01 2.483e-01 2.271e-02 / CHEB/ -4.088e-04 4.278e-02 3.396e-02 1.504e-02 / CHEB/ -1.466e-01 -4.568e-02 -1.279e-02 3.397e-03 / CHEB/ 1.749e-02 -2.412e-03 1.199e-03 3.368e-03 / CHEB/ -3.571e-02 1.650e-02 7.583e-03 2.285e-03 /

2727.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-0.1	+2.1	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-7.4	+0.6	+3.0	+3.8

H298 (kcal/mol) = 12.78
S298 (cal/mol*K) = -5.07
G298 (kcal/mol) = 14.28

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(198); C7H10(38)(+M)=>C7H10(198)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.356e+00 1.127e+00 -4.156e-01 -1.078e-01 / CHEB/ 1.033e+01 6.365e-01 2.470e-01 2.163e-02 / CHEB/ 1.839e-01 4.239e-02 3.379e-02 1.487e-02 / CHEB/ -1.952e-01 -4.509e-02 -1.240e-02 3.475e-03 / CHEB/ -1.450e-01 -9.363e-04 1.804e-03 3.445e-03 / CHEB/ -5.738e-02 1.684e-02 7.751e-03 2.335e-03 /

2728.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+0.1	+1.4	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+0.7	+2.2	+2.6

Chebyshev(coeffs=[[-4.81328,0.713808,-0.449685,-0.0761623],[6.58962,0.980301,0.220177,-0.0199987],[0.228917,0.0827547,0.0587522,0.0101123],[-0.210508,-0.070365,-0.00247232,0.0086988],[-0.142472,-0.0124988,0.000438612,0.00658208],[-0.0459441,0.0182357,0.0053116,0.00255026]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.78
S298 (cal/mol*K) = -6.44
G298 (kcal/mol) = 14.69

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(199); C7H10(38)(+M)=>C7H10(199)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.813e+00 7.138e-01 -4.497e-01 -7.616e-02 / CHEB/ 6.590e+00 9.803e-01 2.202e-01 -2.000e-02 / CHEB/ 2.289e-01 8.275e-02 5.875e-02 1.011e-02 / CHEB/ -2.105e-01 -7.037e-02 -2.472e-03 8.699e-03 / CHEB/ -1.425e-01 -1.250e-02 4.386e-04 6.582e-03 / CHEB/ -4.594e-02 1.824e-02 5.312e-03 2.550e-03 /

2729.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-1.4	+0.6	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-0.7	+1.4	+2.0

Chebyshev(coeffs=[[-7.84961,1.0169,-0.434577,-0.0987131],[9.09656,0.728806,0.249904,0.00778941],[0.178104,0.0522191,0.0411029,0.0152123],[-0.201622,-0.0524677,-0.0113181,0.00521532],[-0.145135,-0.00403398,0.00102648,0.00409682],[-0.0548375,0.0175684,0.00734885,0.00223506]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.28
S298 (cal/mol*K) = -5.80
G298 (kcal/mol) = 24.00

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(200); C7H10(38)(+M)=>C7H10(200)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.850e+00 1.017e+00 -4.346e-01 -9.871e-02 / CHEB/ 9.097e+00 7.288e-01 2.499e-01 7.789e-03 / CHEB/ 1.781e-01 5.222e-02 4.110e-02 1.521e-02 / CHEB/ -2.016e-01 -5.247e-02 -1.132e-02 5.215e-03 / CHEB/ -1.451e-01 -4.034e-03 1.026e-03 4.097e-03 / CHEB/ -5.484e-02 1.757e-02 7.349e-03 2.235e-03 /

2730.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-1.6	+0.3	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-8.1	-0.9	+1.1	+1.8

Chebyshev(coeffs=[[-8.0203,1.0169,-0.434577,-0.0987131],[9.02981,0.728806,0.249904,0.00778941],[0.163365,0.0522191,0.0411029,0.0152123],[-0.205961,-0.0524677,-0.0113181,0.00521532],[-0.146572,-0.00403398,0.00102648,0.00409682],[-0.0553437,0.0175684,0.00734885,0.00223506]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.28
S298 (cal/mol*K) = -5.80
G298 (kcal/mol) = 24.00

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(201); C7H10(38)(+M)=>C7H10(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.020e+00 1.017e+00 -4.346e-01 -9.871e-02 / CHEB/ 9.030e+00 7.288e-01 2.499e-01 7.789e-03 / CHEB/ 1.634e-01 5.222e-02 4.110e-02 1.521e-02 / CHEB/ -2.060e-01 -5.247e-02 -1.132e-02 5.215e-03 / CHEB/ -1.466e-01 -4.034e-03 1.026e-03 4.097e-03 / CHEB/ -5.534e-02 1.757e-02 7.349e-03 2.235e-03 /

2731.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	+1.5	+3.1	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+2.1	+3.9	+4.4

Chebyshev(coeffs=[[-3.80832,0.766825,-0.450273,-0.0789768],[7.30364,0.93703,0.228547,-0.0172458],[0.290688,0.0767746,0.0562312,0.0117556],[-0.187474,-0.067523,-0.00458639,0.0083533],[-0.135842,-0.0110263,0.000314301,0.00607068],[-0.045096,0.0182454,0.00573038,0.00241201]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.78
S298 (cal/mol*K) = -3.85
G298 (kcal/mol) = 15.92

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(202); C7H10(38)(+M)=>C7H10(202)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.808e+00 7.668e-01 -4.503e-01 -7.898e-02 / CHEB/ 7.304e+00 9.370e-01 2.285e-01 -1.725e-02 / CHEB/ 2.907e-01 7.677e-02 5.623e-02 1.176e-02 / CHEB/ -1.875e-01 -6.752e-02 -4.586e-03 8.353e-03 / CHEB/ -1.358e-01 -1.103e-02 3.143e-04 6.071e-03 / CHEB/ -4.510e-02 1.825e-02 5.730e-03 2.412e-03 /

2732.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	+0.1	+2.2	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-7.1	+0.8	+3.1	+3.9

Chebyshev(coeffs=[[-6.9894,1.09885,-0.42127,-0.105579],[10.0348,0.660531,0.248552,0.0180235],[0.191937,0.0446421,0.0356495,0.0150796],[-0.194197,-0.0469776,-0.012233,0.00391834],[-0.144132,-0.00165037,0.00159215,0.0035891],[-0.0563013,0.0170012,0.00766736,0.0023101]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.34
S298 (cal/mol*K) = -2.21
G298 (kcal/mol) = 25.99

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(203); C7H10(38)(+M)=>C7H10(203)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.989e+00 1.099e+00 -4.213e-01 -1.056e-01 / CHEB/ 1.003e+01 6.605e-01 2.486e-01 1.802e-02 / CHEB/ 1.919e-01 4.464e-02 3.565e-02 1.508e-02 / CHEB/ -1.942e-01 -4.698e-02 -1.223e-02 3.918e-03 / CHEB/ -1.441e-01 -1.650e-03 1.592e-03 3.589e-03 / CHEB/ -5.630e-02 1.700e-02 7.667e-03 2.310e-03 /

2733.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	+0.1	+3.5	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-10.9	+0.9	+4.4	+5.6

Chebyshev(coeffs=[[-10.5787,1.4859,-0.297771,-0.115748],[15.5468,0.34315,0.180495,0.0530459],[0.135831,0.0217657,0.0151252,0.00788289],[-0.247565,-0.0215302,-0.00892183,-0.00034689],[-0.21886,0.00722181,0.00471958,0.00249377],[-0.0762463,0.0118817,0.00676562,0.00259827]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.18
S298 (cal/mol*K) = 5.45
G298 (kcal/mol) = 24.56

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(204); C7H10(38)(+M)=>C7H10(204)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.058e+01 1.486e+00 -2.978e-01 -1.157e-01 / CHEB/ 1.555e+01 3.432e-01 1.805e-01 5.305e-02 / CHEB/ 1.358e-01 2.177e-02 1.513e-02 7.883e-03 / CHEB/ -2.476e-01 -2.153e-02 -8.922e-03 -3.469e-04 / CHEB/ -2.189e-01 7.222e-03 4.720e-03 2.494e-03 / CHEB/ -7.625e-02 1.188e-02 6.766e-03 2.598e-03 /

2734.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	+0.1	+3.5	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-10.9	+0.9	+4.4	+5.6

H298 (kcal/mol) = 26.18
S298 (cal/mol*K) = 4.07
G298 (kcal/mol) = 24.97

! PDep reaction: PDepNetwork #17 ! Flux pairs: C7H10(38), C7H10(205); C7H10(38)(+M)=>C7H10(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.058e+01 1.486e+00 -2.978e-01 -1.157e-01 / CHEB/ 1.555e+01 3.432e-01 1.805e-01 5.305e-02 / CHEB/ 1.358e-01 2.177e-02 1.513e-02 7.883e-03 / CHEB/ -2.476e-01 -2.153e-02 -8.922e-03 -3.469e-04 / CHEB/ -2.189e-01 7.222e-03 4.720e-03 2.494e-03 / CHEB/ -7.625e-02 1.188e-02 6.766e-03 2.598e-03 /

2735.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.1	+5.4	+5.1	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+5.6	+6.2	+6.1	+5.8

Chebyshev(coeffs=[[10.6081,1.46876,-0.239396,-0.0433596],[0.670737,0.34886,0.133089,0.00183894],[-0.263378,0.154487,0.0710189,0.0125457],[-0.153792,0.0463212,0.0265353,0.0100681],[-0.0237457,-0.0324115,-0.00388767,0.00853877],[0.0103455,-0.0301136,-0.00969757,0.00214494]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.56
S298 (cal/mol*K) = -22.34
G298 (kcal/mol) = -26.90

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(46); H(25), C7H11(46); C7H10(146)+H(25)(+M)=>C7H11(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.061e+01 1.469e+00 -2.394e-01 -4.336e-02 / CHEB/ 6.707e-01 3.489e-01 1.331e-01 1.839e-03 / CHEB/ -2.634e-01 1.545e-01 7.102e-02 1.255e-02 / CHEB/ -1.538e-01 4.632e-02 2.654e-02 1.007e-02 / CHEB/ -2.375e-02 -3.241e-02 -3.888e-03 8.539e-03 / CHEB/ 1.035e-02 -3.011e-02 -9.698e-03 2.145e-03 /

2736.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+1.8	+1.6	+1.4
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+2.4	+2.4	+2.3

Chebyshev(coeffs=[[7.30679,0.970883,-0.451581,-0.0773498],[0.213241,0.728779,0.27039,0.00294865],[-0.183718,0.198454,0.0956979,0.0211875],[0.0331865,0.0226572,0.0180003,0.0100562],[-0.00221297,-0.0358442,-0.0062575,0.00657587],[-0.0347777,-0.0214431,-0.00508347,0.00296254]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.31
S298 (cal/mol*K) = -47.33
G298 (kcal/mol) = -45.20

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(22); H(25), C7H11(22); C7H10(146)+H(25)(+M)=>C7H11(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.307e+00 9.709e-01 -4.516e-01 -7.735e-02 / CHEB/ 2.132e-01 7.288e-01 2.704e-01 2.949e-03 / CHEB/ -1.837e-01 1.985e-01 9.570e-02 2.119e-02 / CHEB/ 3.319e-02 2.266e-02 1.800e-02 1.006e-02 / CHEB/ -2.213e-03 -3.584e-02 -6.257e-03 6.576e-03 / CHEB/ -3.478e-02 -2.144e-02 -5.083e-03 2.963e-03 /

2737.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	-2.1	-2.0	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-3.6	-1.4	-1.1	-1.4

Chebyshev(coeffs=[[2.04398,1.06208,-0.433875,-0.0924969],[1.87985,0.725934,0.287958,0.0198982],[0.118164,0.134349,0.0759991,0.0247409],[-0.276123,0.0118182,0.0140446,0.010941],[-0.158964,-0.0299572,-0.00636008,0.00524749],[-0.0352898,-0.0193168,-0.00605081,0.00151496]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -46.46
S298 (cal/mol*K) = -37.24
G298 (kcal/mol) = -35.36

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(40); H(25), C7H11(40); C7H10(146)+H(25)(+M)=>C7H11(40)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.044e+00 1.062e+00 -4.339e-01 -9.250e-02 / CHEB/ 1.880e+00 7.259e-01 2.880e-01 1.990e-02 / CHEB/ 1.182e-01 1.343e-01 7.600e-02 2.474e-02 / CHEB/ -2.761e-01 1.182e-02 1.404e-02 1.094e-02 / CHEB/ -1.590e-01 -2.996e-02 -6.360e-03 5.247e-03 / CHEB/ -3.529e-02 -1.932e-02 -6.051e-03 1.515e-03 /

2738.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.7	+7.2	+7.4
log₁₀(k(10 bar)/[mole,m,s])	+5.2	+6.6	+7.2	+7.4

Chebyshev(coeffs=[[11.5962,-0.502615,-0.230829,-0.0449865],[1.5853,0.349817,0.137136,0.00511],[0.215146,0.137923,0.0677708,0.0154125],[0.0553655,0.036926,0.0228873,0.0101569],[-0.0158328,-0.033469,-0.00632748,0.00693411],[-0.0171488,-0.0283503,-0.010423,0.000821766]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.45
S298 (cal/mol*K) = 6.75
G298 (kcal/mol) = -34.46

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C5H7(210); H(25), C2H4(115); C7H10(146)+H(25)(+M)=>C5H7(210)+C2H4(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.160e+01 -5.026e-01 -2.308e-01 -4.499e-02 / CHEB/ 1.585e+00 3.498e-01 1.371e-01 5.110e-03 / CHEB/ 2.151e-01 1.379e-01 6.777e-02 1.541e-02 / CHEB/ 5.537e-02 3.693e-02 2.289e-02 1.016e-02 / CHEB/ -1.583e-02 -3.347e-02 -6.327e-03 6.934e-03 / CHEB/ -1.715e-02 -2.835e-02 -1.042e-02 8.218e-04 /

2739.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.2	+5.2	+5.6	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+5.1	+5.6	+5.7

Chebyshev(coeffs=[[10.1558,-0.501988,-0.230768,-0.0451428],[1.44943,0.348878,0.136822,0.00511347],[0.147741,0.137278,0.0675386,0.0154082],[0.0308769,0.0370168,0.0228891,0.0101199],[-0.0234319,-0.0331795,-0.00624937,0.00691239],[-0.0208154,-0.0281906,-0.0103508,0.000838389]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -38.07
S298 (cal/mol*K) = -31.38
G298 (kcal/mol) = -28.72

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(269); H(25), C7H11(269); C7H10(146)+H(25)(+M)=>C7H11(269)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.016e+01 -5.020e-01 -2.308e-01 -4.514e-02 / CHEB/ 1.449e+00 3.489e-01 1.368e-01 5.113e-03 / CHEB/ 1.477e-01 1.373e-01 6.754e-02 1.541e-02 / CHEB/ 3.088e-02 3.702e-02 2.289e-02 1.012e-02 / CHEB/ -2.343e-02 -3.318e-02 -6.249e-03 6.912e-03 / CHEB/ -2.082e-02 -2.819e-02 -1.035e-02 8.384e-04 /

2740.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+4.1	+4.3	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+3.1	+4.0	+4.3	+4.3

Chebyshev(coeffs=[[9.33398,-0.515488,-0.234542,-0.0441198],[0.982855,0.351173,0.13596,0.00364263],[0.0273634,0.145526,0.0694292,0.0142488],[0.0264756,0.0402998,0.0242865,0.0102054],[-0.0206328,-0.0337098,-0.00555061,0.00762376],[-0.0214782,-0.029391,-0.0103071,0.00130742]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.03
S298 (cal/mol*K) = -35.50
G298 (kcal/mol) = -39.45

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(268); H(25), C7H11(268); C7H10(146)+H(25)(+M)=>C7H11(268)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.334e+00 -5.155e-01 -2.345e-01 -4.412e-02 / CHEB/ 9.829e-01 3.512e-01 1.360e-01 3.643e-03 / CHEB/ 2.736e-02 1.455e-01 6.943e-02 1.425e-02 / CHEB/ 2.648e-02 4.030e-02 2.429e-02 1.021e-02 / CHEB/ -2.063e-02 -3.371e-02 -5.551e-03 7.624e-03 / CHEB/ -2.148e-02 -2.939e-02 -1.031e-02 1.307e-03 /

2741.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+2.1	+3.8	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+2.0	+3.7	+4.7

Chebyshev(coeffs=[[5.13343,-0.387898,-0.196876,-0.0532148],[4.72909,0.288681,0.130126,0.0196704],[0.694731,0.0928514,0.0535322,0.019329],[0.123952,0.0267865,0.0167892,0.00798772],[0.000139227,-0.0285893,-0.00939555,0.00245726],[-0.0119238,-0.0229856,-0.0104991,-0.00147328]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.21
S298 (cal/mol*K) = -20.62
G298 (kcal/mol) = -30.06

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(270); H(25), C7H11(270); C7H10(146)+H(25)(+M)=>C7H11(270)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.133e+00 -3.879e-01 -1.969e-01 -5.321e-02 / CHEB/ 4.729e+00 2.887e-01 1.301e-01 1.967e-02 / CHEB/ 6.947e-01 9.285e-02 5.353e-02 1.933e-02 / CHEB/ 1.240e-01 2.679e-02 1.679e-02 7.988e-03 / CHEB/ 1.392e-04 -2.859e-02 -9.396e-03 2.457e-03 / CHEB/ -1.192e-02 -2.299e-02 -1.050e-02 -1.473e-03 /

2742.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+3.6	+4.7	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+0.7	+3.4	+4.7	+5.4

Chebyshev(coeffs=[[7.56307,-0.44434,-0.213675,-0.0489478],[3.16072,0.331421,0.138301,0.0122758],[0.565603,0.107269,0.0594765,0.0190339],[0.112829,0.0277707,0.0180894,0.0090669],[-0.00358221,-0.0311767,-0.00870915,0.00407826],[-0.0134598,-0.0249341,-0.0106788,-0.000806835]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -57.60
S298 (cal/mol*K) = -25.95
G298 (kcal/mol) = -49.86

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(271); H(25), C7H11(271); C7H10(146)+H(25)(+M)=>C7H11(271)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.563e+00 -4.443e-01 -2.137e-01 -4.895e-02 / CHEB/ 3.161e+00 3.314e-01 1.383e-01 1.228e-02 / CHEB/ 5.656e-01 1.073e-01 5.948e-02 1.903e-02 / CHEB/ 1.128e-01 2.777e-02 1.809e-02 9.067e-03 / CHEB/ -3.582e-03 -3.118e-02 -8.709e-03 4.078e-03 / CHEB/ -1.346e-02 -2.493e-02 -1.068e-02 -8.068e-04 /

2743.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+4.6	+5.4	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+2.5	+4.4	+5.4	+5.8

Chebyshev(coeffs=[[9.09333,-0.474935,-0.222484,-0.0466183],[2.2568,0.345891,0.139423,0.00847103],[0.403372,0.122103,0.0639516,0.0176394],[0.0969721,0.030411,0.0199007,0.00980192],[-0.00514913,-0.0330365,-0.00796453,0.00539462],[-0.0143887,-0.0265489,-0.0107226,-0.000183311]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.66
S298 (cal/mol*K) = -23.94
G298 (kcal/mol) = -18.52

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(272); H(25), C7H11(272); C7H10(146)+H(25)(+M)=>C7H11(272)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.093e+00 -4.749e-01 -2.225e-01 -4.662e-02 / CHEB/ 2.257e+00 3.459e-01 1.394e-01 8.471e-03 / CHEB/ 4.034e-01 1.221e-01 6.395e-02 1.764e-02 / CHEB/ 9.697e-02 3.041e-02 1.990e-02 9.802e-03 / CHEB/ -5.149e-03 -3.304e-02 -7.965e-03 5.395e-03 / CHEB/ -1.439e-02 -2.655e-02 -1.072e-02 -1.833e-04 /

2744.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+3.9	+4.5	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+3.7	+4.5	+4.8

Chebyshev(coeffs=[[8.60209,-0.486122,-0.225902,-0.0459882],[1.89499,0.347797,0.138584,0.00706939],[0.290534,0.128305,0.0655081,0.0167965],[0.0725044,0.0328417,0.0210634,0.00997995],[-0.0130673,-0.0332433,-0.00734009,0.00601126],[-0.0182501,-0.0272364,-0.0106144,0.00020426]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.86
S298 (cal/mol*K) = -25.04
G298 (kcal/mol) = -27.39

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(273); H(25), C7H11(273); C7H10(146)+H(25)(+M)=>C7H11(273)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.602e+00 -4.861e-01 -2.259e-01 -4.599e-02 / CHEB/ 1.895e+00 3.478e-01 1.386e-01 7.069e-03 / CHEB/ 2.905e-01 1.283e-01 6.551e-02 1.680e-02 / CHEB/ 7.250e-02 3.284e-02 2.106e-02 9.980e-03 / CHEB/ -1.307e-02 -3.324e-02 -7.340e-03 6.011e-03 / CHEB/ -1.825e-02 -2.724e-02 -1.061e-02 2.043e-04 /

2745.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+2.9	+3.7	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+2.7	+3.7	+4.1

Chebyshev(coeffs=[[7.38748,-0.474102,-0.222301,-0.0467324],[2.27462,0.34513,0.139247,0.0085544],[0.40254,0.121669,0.0638028,0.0176554],[0.0911097,0.0304576,0.019894,0.0097768],[-0.00660056,-0.032888,-0.0079397,0.00536934],[-0.0141803,-0.0264742,-0.0106971,-0.000184818]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.86
S298 (cal/mol*K) = -25.04
G298 (kcal/mol) = -27.39

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(274); H(25), C7H11(274); C7H10(146)+H(25)(+M)=>C7H11(274)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.387e+00 -4.741e-01 -2.223e-01 -4.673e-02 / CHEB/ 2.275e+00 3.451e-01 1.392e-01 8.554e-03 / CHEB/ 4.025e-01 1.217e-01 6.380e-02 1.766e-02 / CHEB/ 9.111e-02 3.046e-02 1.989e-02 9.777e-03 / CHEB/ -6.601e-03 -3.289e-02 -7.940e-03 5.369e-03 / CHEB/ -1.418e-02 -2.647e-02 -1.070e-02 -1.848e-04 /

2746.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	-0.1	+2.0	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-5.2	-0.2	+2.0	+3.2

Chebyshev(coeffs=[[1.95354,-0.33784,-0.179829,-0.0555828],[6.29114,0.247244,0.11964,0.025373],[0.803208,0.0854751,0.0496288,0.018728],[0.163197,0.0251995,0.0157337,0.00734251],[0.0122021,-0.0268391,-0.00995594,0.00115683],[-0.00828226,-0.0214365,-0.0103091,-0.00198864]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.46
S298 (cal/mol*K) = -24.36
G298 (kcal/mol) = -16.20

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(275); H(25), C7H11(275); C7H10(146)+H(25)(+M)=>C7H11(275)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.954e+00 -3.378e-01 -1.798e-01 -5.558e-02 / CHEB/ 6.291e+00 2.472e-01 1.196e-01 2.537e-02 / CHEB/ 8.032e-01 8.548e-02 4.963e-02 1.873e-02 / CHEB/ 1.632e-01 2.520e-02 1.573e-02 7.343e-03 / CHEB/ 1.220e-02 -2.684e-02 -9.956e-03 1.157e-03 / CHEB/ -8.282e-03 -2.144e-02 -1.031e-02 -1.989e-03 /

2747.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+1.8	+4.6	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+1.8	+4.6	+6.0

Chebyshev(coeffs=[[0.847112,-0.207667,-0.125007,-0.0524532],[10.8213,0.120936,0.0701685,0.026809],[0.2944,0.0738666,0.0430645,0.0167335],[0.0714546,0.0267276,0.0162647,0.00702465],[-0.0113343,-0.0199771,-0.00924367,-0.00122516],[-0.0177352,-0.0178019,-0.00935814,-0.00262987]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.63
S298 (cal/mol*K) = 16.19
G298 (kcal/mol) = 27.80

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C5H7(210); H(25), C2H4(72); C7H10(146)+H(25)(+M)=>C5H7(210)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.471e-01 -2.077e-01 -1.250e-01 -5.245e-02 / CHEB/ 1.082e+01 1.209e-01 7.017e-02 2.681e-02 / CHEB/ 2.944e-01 7.387e-02 4.306e-02 1.673e-02 / CHEB/ 7.145e-02 2.673e-02 1.626e-02 7.025e-03 / CHEB/ -1.133e-02 -1.998e-02 -9.244e-03 -1.225e-03 / CHEB/ -1.774e-02 -1.780e-02 -9.358e-03 -2.630e-03 /

2748.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-5.1	-0.3	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-19.5	-5.1	-0.3	+2.0

Chebyshev(coeffs=[[-12.3477,-0.100761,-0.0658357,-0.032696],[20.4067,0.0449391,0.0292071,0.0143492],[-0.0263292,0.0440893,0.0279293,0.0130471],[-0.00251747,0.019752,0.0126315,0.0060182],[-0.0199069,-0.0112852,-0.00650623,-0.00241866],[-0.0172621,-0.0116897,-0.00702194,-0.00291147]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.77
S298 (cal/mol*K) = 19.16
G298 (kcal/mol) = 61.06

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C4H5(99); H(25), C3H6(276); C7H10(146)+H(25)(+M)=>C3H6(276)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.235e+01 -1.008e-01 -6.584e-02 -3.270e-02 / CHEB/ 2.041e+01 4.494e-02 2.921e-02 1.435e-02 / CHEB/ -2.633e-02 4.409e-02 2.793e-02 1.305e-02 / CHEB/ -2.517e-03 1.975e-02 1.263e-02 6.018e-03 / CHEB/ -1.991e-02 -1.129e-02 -6.506e-03 -2.419e-03 / CHEB/ -1.726e-02 -1.169e-02 -7.022e-03 -2.911e-03 /

2749.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-3.0	+0.7	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-3.1	+0.7	+2.7

Chebyshev(coeffs=[[-6.55145,-0.160058,-0.10011,-0.0456104],[14.815,0.0849553,0.0520281,0.0226012],[0.312996,0.0622649,0.037544,0.0157784],[0.12786,0.0245157,0.015165,0.00676147],[0.00472801,-0.0165018,-0.00843071,-0.00204959],[-0.0262486,-0.0154524,-0.00858847,-0.00289513]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.50
S298 (cal/mol*K) = 4.88
G298 (kcal/mol) = 42.05

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(18); H(25), H(25); C7H10(146)+H(25)(+M)=>C7H10(18)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.551e+00 -1.601e-01 -1.001e-01 -4.561e-02 / CHEB/ 1.481e+01 8.496e-02 5.203e-02 2.260e-02 / CHEB/ 3.130e-01 6.226e-02 3.754e-02 1.578e-02 / CHEB/ 1.279e-01 2.452e-02 1.516e-02 6.761e-03 / CHEB/ 4.728e-03 -1.650e-02 -8.431e-03 -2.050e-03 / CHEB/ -2.625e-02 -1.545e-02 -8.588e-03 -2.895e-03 /

2750.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-3.6	+0.0	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-3.7	+0.0	+1.9

Chebyshev(coeffs=[[-6.77359,-0.167031,-0.103902,-0.0468022],[14.2484,0.090134,0.0547798,0.0233926],[0.32679,0.064113,0.0384553,0.0159698],[0.13187,0.0248646,0.0153377,0.00680053],[0.00476053,-0.017065,-0.00859551,-0.00195576],[-0.0269576,-0.0158176,-0.00871854,-0.00286607]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.93
S298 (cal/mol*K) = 1.04
G298 (kcal/mol) = 42.62

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(89); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.774e+00 -1.670e-01 -1.039e-01 -4.680e-02 / CHEB/ 1.425e+01 9.013e-02 5.478e-02 2.339e-02 / CHEB/ 3.268e-01 6.411e-02 3.846e-02 1.597e-02 / CHEB/ 1.319e-01 2.486e-02 1.534e-02 6.801e-03 / CHEB/ 4.761e-03 -1.707e-02 -8.596e-03 -1.956e-03 / CHEB/ -2.696e-02 -1.582e-02 -8.719e-03 -2.866e-03 /

2751.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.0	-9.2	-3.5	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-26.0	-9.3	-3.5	-0.7

Chebyshev(coeffs=[[-18.5068,-0.0872338,-0.0575233,-0.0290617],[23.6485,0.0370758,0.0243858,0.0122554],[0.162078,0.0392668,0.0251767,0.0120497],[0.0522721,0.0180223,0.0116371,0.00564956],[0.00058739,-0.0100192,-0.00593697,-0.00237378],[-0.00910424,-0.0105979,-0.00648944,-0.00281336]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.44
S298 (cal/mol*K) = 6.89
G298 (kcal/mol) = 73.39

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(95); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.851e+01 -8.723e-02 -5.752e-02 -2.906e-02 / CHEB/ 2.365e+01 3.708e-02 2.439e-02 1.226e-02 / CHEB/ 1.621e-01 3.927e-02 2.518e-02 1.205e-02 / CHEB/ 5.227e-02 1.802e-02 1.164e-02 5.650e-03 / CHEB/ 5.874e-04 -1.002e-02 -5.937e-03 -2.374e-03 / CHEB/ -9.104e-03 -1.060e-02 -6.489e-03 -2.813e-03 /

2752.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.1	-7.0	-1.0	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-25.1	-7.0	-1.0	+1.9

Chebyshev(coeffs=[[-17.6602,-0.0729248,-0.048543,-0.0249513],[25.6761,0.0291746,0.01942,0.00997834],[-0.042511,0.0339129,0.0220247,0.0108084],[-0.00842072,0.0159042,0.0103804,0.0051439],[-0.017394,-0.00861828,-0.0052531,-0.00224975],[-0.0142888,-0.00931524,-0.00582122,-0.00263929]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.60
S298 (cal/mol*K) = 22.90
G298 (kcal/mol) = 76.77

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C5H8(277); H(25), C2H3(100); C7H10(146)+H(25)(+M)=>C5H8(277)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.766e+01 -7.292e-02 -4.854e-02 -2.495e-02 / CHEB/ 2.568e+01 2.917e-02 1.942e-02 9.978e-03 / CHEB/ -4.251e-02 3.391e-02 2.202e-02 1.081e-02 / CHEB/ -8.421e-03 1.590e-02 1.038e-02 5.144e-03 / CHEB/ -1.739e-02 -8.618e-03 -5.253e-03 -2.250e-03 / CHEB/ -1.429e-02 -9.315e-03 -5.821e-03 -2.639e-03 /

2753.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.4	-6.4	-1.2	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-6.5	-1.2	+1.4

Chebyshev(coeffs=[[-14.1003,-0.102656,-0.0669866,-0.0331854],[21.2138,0.0460789,0.0298963,0.0146389],[0.219617,0.0447422,0.0282954,0.013173],[0.0699312,0.0199747,0.0127572,0.00606247],[0.00376136,-0.0114601,-0.00658157,-0.00242037],[-0.00907455,-0.0118344,-0.00708995,-0.00292097]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.24
S298 (cal/mol*K) = 5.79
G298 (kcal/mol) = 64.52

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(96); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.410e+01 -1.027e-01 -6.699e-02 -3.319e-02 / CHEB/ 2.121e+01 4.608e-02 2.990e-02 1.464e-02 / CHEB/ 2.196e-01 4.474e-02 2.830e-02 1.317e-02 / CHEB/ 6.993e-02 1.997e-02 1.276e-02 6.062e-03 / CHEB/ 3.761e-03 -1.146e-02 -6.582e-03 -2.420e-03 / CHEB/ -9.075e-03 -1.183e-02 -7.090e-03 -2.921e-03 /

2754.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.4	-6.4	-1.2	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-6.5	-1.2	+1.4

H298 (kcal/mol) = 66.24
S298 (cal/mol*K) = 5.79
G298 (kcal/mol) = 64.52

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(97); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.410e+01 -1.027e-01 -6.699e-02 -3.319e-02 / CHEB/ 2.121e+01 4.608e-02 2.990e-02 1.464e-02 / CHEB/ 2.196e-01 4.474e-02 2.830e-02 1.317e-02 / CHEB/ 6.993e-02 1.997e-02 1.276e-02 6.062e-03 / CHEB/ 3.761e-03 -1.146e-02 -6.582e-03 -2.420e-03 / CHEB/ -9.075e-03 -1.183e-02 -7.090e-03 -2.921e-03 /

2755.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.9	-8.6	-2.8	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-25.9	-8.7	-2.8	+0.2

Chebyshev(coeffs=[[-18.3677,-0.0838592,-0.0554225,-0.0281167],[24.353,0.0351692,0.0231989,0.0117222],[0.172777,0.0380399,0.0244635,0.0117781],[0.0556788,0.0175436,0.0113564,0.00553982],[0.0020507,-0.00969498,-0.00578365,-0.00235196],[-0.00832118,-0.0103078,-0.00634214,-0.0027793]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.64
S298 (cal/mol*K) = 6.47
G298 (kcal/mol) = 75.72

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(37); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.837e+01 -8.386e-02 -5.542e-02 -2.812e-02 / CHEB/ 2.435e+01 3.517e-02 2.320e-02 1.172e-02 / CHEB/ 1.728e-01 3.804e-02 2.446e-02 1.178e-02 / CHEB/ 5.568e-02 1.754e-02 1.136e-02 5.540e-03 / CHEB/ 2.051e-03 -9.695e-03 -5.784e-03 -2.352e-03 / CHEB/ -8.321e-03 -1.031e-02 -6.342e-03 -2.779e-03 /

2756.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+3.9	+4.4	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+3.8	+4.4	+4.6

Chebyshev(coeffs=[[8.67635,-0.492318,-0.227975,-0.045813],[1.73314,0.347106,0.13744,0.00623072],[0.223113,0.131629,0.0661893,0.0161872],[0.044518,0.0348354,0.0219016,0.010012],[-0.0216634,-0.0329195,-0.006779,0.00639292],[-0.0205098,-0.0275195,-0.0104372,0.000501185]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.78
S298 (cal/mol*K) = -28.23
G298 (kcal/mol) = -36.36

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(278); H(25), C7H11(278); C7H10(146)+H(25)(+M)=>C7H11(278)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.676e+00 -4.923e-01 -2.280e-01 -4.581e-02 / CHEB/ 1.733e+00 3.471e-01 1.374e-01 6.231e-03 / CHEB/ 2.231e-01 1.316e-01 6.619e-02 1.619e-02 / CHEB/ 4.452e-02 3.484e-02 2.190e-02 1.001e-02 / CHEB/ -2.166e-02 -3.292e-02 -6.779e-03 6.393e-03 / CHEB/ -2.051e-02 -2.752e-02 -1.044e-02 5.012e-04 /

2757.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+1.1	+3.0	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+1.0	+3.0	+4.0

Chebyshev(coeffs=[[3.20048,-0.336813,-0.18008,-0.056292],[6.09396,0.238326,0.116167,0.0253007],[0.649233,0.0903262,0.0511142,0.0182505],[0.117237,0.0267537,0.0166055,0.00759641],[-0.00298971,-0.0265751,-0.00961337,0.00145103],[-0.0122234,-0.0216186,-0.010231,-0.00180108]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.50
S298 (cal/mol*K) = -23.17
G298 (kcal/mol) = -29.59

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(279); H(25), C7H11(279); C7H10(146)+H(25)(+M)=>C7H11(279)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.200e+00 -3.368e-01 -1.801e-01 -5.629e-02 / CHEB/ 6.094e+00 2.383e-01 1.162e-01 2.530e-02 / CHEB/ 6.492e-01 9.033e-02 5.111e-02 1.825e-02 / CHEB/ 1.172e-01 2.675e-02 1.661e-02 7.596e-03 / CHEB/ -2.990e-03 -2.658e-02 -9.613e-03 1.451e-03 / CHEB/ -1.222e-02 -2.162e-02 -1.023e-02 -1.801e-03 /

2758.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+3.0	+4.0	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+2.9	+4.0	+4.5

Chebyshev(coeffs=[[7.02032,-0.447074,-0.215053,-0.0492798],[2.99174,0.327804,0.13658,0.0118291],[0.459727,0.10954,0.0599194,0.0185636],[0.0721005,0.0298578,0.0189685,0.00910639],[-0.0183819,-0.0306393,-0.00818705,0.00439852],[-0.0192357,-0.0251192,-0.0105269,-0.000552336]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.36
S298 (cal/mol*K) = -27.14
G298 (kcal/mol) = -13.27

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(280); H(25), C7H11(280); C7H10(146)+H(25)(+M)=>C7H11(280)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.020e+00 -4.471e-01 -2.151e-01 -4.928e-02 / CHEB/ 2.992e+00 3.278e-01 1.366e-01 1.183e-02 / CHEB/ 4.597e-01 1.095e-01 5.992e-02 1.856e-02 / CHEB/ 7.210e-02 2.986e-02 1.897e-02 9.106e-03 / CHEB/ -1.838e-02 -3.064e-02 -8.187e-03 4.399e-03 / CHEB/ -1.924e-02 -2.512e-02 -1.053e-02 -5.523e-04 /

2759.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.9	-6.6	-1.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-22.9	-6.7	-1.2	+1.6

Chebyshev(coeffs=[[-15.4948,-0.089675,-0.0590363,-0.0297359],[22.9312,0.0384561,0.0252407,0.0126352],[0.104503,0.0401658,0.0256965,0.0122449],[0.0359111,0.018349,0.0118271,0.00572216],[-0.0054435,-0.0102494,-0.0060435,-0.00238605],[-0.0114373,-0.0108018,-0.0065913,-0.00283496]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.93
S298 (cal/mol*K) = 14.88
G298 (kcal/mol) = 60.50

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C6H9(281); H(25), CH2(T)(82); C7H10(146)+H(25)(+M)=>C6H9(281)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.549e+01 -8.967e-02 -5.904e-02 -2.974e-02 / CHEB/ 2.293e+01 3.846e-02 2.524e-02 1.264e-02 / CHEB/ 1.045e-01 4.017e-02 2.570e-02 1.224e-02 / CHEB/ 3.591e-02 1.835e-02 1.183e-02 5.722e-03 / CHEB/ -5.444e-03 -1.025e-02 -6.044e-03 -2.386e-03 / CHEB/ -1.144e-02 -1.080e-02 -6.591e-03 -2.835e-03 /

2760.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.4	-10.2	-4.3	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-10.2	-4.3	-1.3

Chebyshev(coeffs=[[-19.7973,-0.0843019,-0.0556933,-0.0282336],[24.1802,0.036195,0.0238515,0.0120295],[0.26214,0.0378619,0.0243525,0.0117281],[0.0383484,0.0174432,0.0112925,0.00550984],[0.00565151,-0.00982098,-0.00586117,-0.00238597],[0.0071698,-0.010359,-0.00637687,-0.00279776]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.64
S298 (cal/mol*K) = 3.85
G298 (kcal/mol) = 75.50

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(282); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(282)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.980e+01 -8.430e-02 -5.569e-02 -2.823e-02 / CHEB/ 2.418e+01 3.619e-02 2.385e-02 1.203e-02 / CHEB/ 2.621e-01 3.786e-02 2.435e-02 1.173e-02 / CHEB/ 3.835e-02 1.744e-02 1.129e-02 5.510e-03 / CHEB/ 5.652e-03 -9.821e-03 -5.861e-03 -2.386e-03 / CHEB/ 7.170e-03 -1.036e-02 -6.377e-03 -2.798e-03 /

2761.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	-1.6	-0.6	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-4.1	-1.8	-0.7	-0.2

Chebyshev(coeffs=[[2.59829,-0.840737,-0.387986,-0.0804081],[2.74958,0.727922,0.295912,0.0260039],[0.428973,0.112486,0.0713208,0.0287275],[0.108987,-0.0105859,0.00127341,0.00639799],[-0.0187325,-0.0361869,-0.0117729,0.00229428],[-0.0259454,-0.0191881,-0.00695392,0.000677138]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.08
S298 (cal/mol*K) = -37.78
G298 (kcal/mol) = -4.82

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(1); H(25), H(25); C7H10(146)+H(25)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.598e+00 -8.407e-01 -3.880e-01 -8.041e-02 / CHEB/ 2.750e+00 7.279e-01 2.959e-01 2.600e-02 / CHEB/ 4.290e-01 1.125e-01 7.132e-02 2.873e-02 / CHEB/ 1.090e-01 -1.059e-02 1.273e-03 6.398e-03 / CHEB/ -1.873e-02 -3.619e-02 -1.177e-02 2.294e-03 / CHEB/ -2.595e-02 -1.919e-02 -6.954e-03 6.771e-04 /

2762.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-2.8	-0.5	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-2.9	-0.5	+0.7

Chebyshev(coeffs=[[-1.469,-0.437956,-0.247313,-0.0897397],[7.41605,0.343473,0.185666,0.0590988],[0.608043,0.0809746,0.0453,0.0160991],[0.186937,0.0132141,0.00780767,0.00322441],[-0.00804096,-0.0256104,-0.00971384,0.000816606],[-0.0399036,-0.0196994,-0.00869824,-0.000841735]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.76
S298 (cal/mol*K) = -17.14
G298 (kcal/mol) = 17.86

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(264); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(264)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.469e+00 -4.380e-01 -2.473e-01 -8.974e-02 / CHEB/ 7.416e+00 3.435e-01 1.857e-01 5.910e-02 / CHEB/ 6.080e-01 8.097e-02 4.530e-02 1.610e-02 / CHEB/ 1.869e-01 1.321e-02 7.808e-03 3.224e-03 / CHEB/ -8.041e-03 -2.561e-02 -9.714e-03 8.166e-04 / CHEB/ -3.990e-02 -1.970e-02 -8.698e-03 -8.417e-04 /

2763.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-2.3	-0.2	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-2.4	-0.2	+0.9

Chebyshev(coeffs=[[-0.280348,-0.522581,-0.280838,-0.0908583],[6.34111,0.44712,0.223194,0.0568002],[0.750521,0.0572922,0.0401334,0.0196723],[0.129644,0.0193527,0.0079774,0.00155604],[-0.00262095,-0.0303023,-0.0103457,0.00165887],[-0.0175344,-0.019326,-0.00844172,-0.000567711]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.91
S298 (cal/mol*K) = -40.33
G298 (kcal/mol) = -23.89

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(265); H(25), C7H11(265); C7H10(146)+H(25)(+M)=>C7H11(265)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.803e-01 -5.226e-01 -2.808e-01 -9.086e-02 / CHEB/ 6.341e+00 4.471e-01 2.232e-01 5.680e-02 / CHEB/ 7.505e-01 5.729e-02 4.013e-02 1.967e-02 / CHEB/ 1.296e-01 1.935e-02 7.977e-03 1.556e-03 / CHEB/ -2.621e-03 -3.030e-02 -1.035e-02 1.659e-03 / CHEB/ -1.753e-02 -1.933e-02 -8.442e-03 -5.677e-04 /

2764.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+1.1	+1.8	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+0.9	+1.8	+2.1

Chebyshev(coeffs=[[5.48264,-0.865009,-0.396624,-0.0803802],[2.32971,0.731011,0.293485,0.0226837],[0.281627,0.12359,0.0749205,0.0280583],[0.0576748,-0.00774295,0.00307595,0.00704169],[-0.0369043,-0.0368977,-0.0114035,0.00284089],[-0.0320672,-0.0195646,-0.00679247,0.000971536]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -46.46
S298 (cal/mol*K) = -38.62
G298 (kcal/mol) = -34.95

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(266); H(25), C7H11(266); C7H10(146)+H(25)(+M)=>C7H11(266)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.483e+00 -8.650e-01 -3.966e-01 -8.038e-02 / CHEB/ 2.330e+00 7.310e-01 2.935e-01 2.268e-02 / CHEB/ 2.816e-01 1.236e-01 7.492e-02 2.806e-02 / CHEB/ 5.767e-02 -7.743e-03 3.076e-03 7.042e-03 / CHEB/ -3.690e-02 -3.690e-02 -1.140e-02 2.841e-03 / CHEB/ -3.207e-02 -1.956e-02 -6.792e-03 9.715e-04 /

2765.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.8	-6.7	-3.4	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-6.8	-3.4	-1.7

Chebyshev(coeffs=[[-8.94161,-0.212353,-0.131611,-0.0589007],[12.8032,0.117936,0.0719557,0.0310489],[0.344398,0.0733003,0.0427458,0.0165967],[0.144516,0.0253026,0.014999,0.00608024],[0.000382399,-0.0199618,-0.00963321,-0.00174509],[-0.0242691,-0.0176583,-0.00926205,-0.0025697]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.14
S298 (cal/mol*K) = -13.63
G298 (kcal/mol) = 43.21

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(28); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.942e+00 -2.124e-01 -1.316e-01 -5.890e-02 / CHEB/ 1.280e+01 1.179e-01 7.196e-02 3.105e-02 / CHEB/ 3.444e-01 7.330e-02 4.275e-02 1.660e-02 / CHEB/ 1.445e-01 2.530e-02 1.500e-02 6.080e-03 / CHEB/ 3.824e-04 -1.996e-02 -9.633e-03 -1.745e-03 / CHEB/ -2.427e-02 -1.766e-02 -9.262e-03 -2.570e-03 /

2766.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-5.8	-3.0	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-5.9	-3.0	-1.5

Chebyshev(coeffs=[[-6.05049,-0.309555,-0.184492,-0.0759527],[9.88283,0.208977,0.121505,0.0469614],[0.490673,0.0823384,0.0460102,0.0160639],[0.200286,0.0210271,0.0121107,0.00461618],[-0.00186532,-0.0233719,-0.00992101,-0.000363567],[-0.0442,-0.0192443,-0.00931654,-0.00181368]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.29
S298 (cal/mol*K) = -23.72
G298 (kcal/mol) = 33.36

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(33); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.050e+00 -3.096e-01 -1.845e-01 -7.595e-02 / CHEB/ 9.883e+00 2.090e-01 1.215e-01 4.696e-02 / CHEB/ 4.907e-01 8.234e-02 4.601e-02 1.606e-02 / CHEB/ 2.003e-01 2.103e-02 1.211e-02 4.616e-03 / CHEB/ -1.865e-03 -2.337e-02 -9.921e-03 -3.636e-04 / CHEB/ -4.420e-02 -1.924e-02 -9.317e-03 -1.814e-03 /

2767.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-8.7	-4.6	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-8.8	-4.6	-2.5

Chebyshev(coeffs=[[-12.967,-0.163515,-0.103705,-0.048628],[16.0156,0.0804502,0.0504555,0.0230835],[0.334176,0.0626602,0.037727,0.015792],[0.153147,0.024224,0.0147782,0.006384],[0.00536968,-0.0164308,-0.00854095,-0.00224116],[-0.0214257,-0.0156217,-0.00865211,-0.00288113]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.69
S298 (cal/mol*K) = -16.72
G298 (kcal/mol) = 54.68

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(32); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.297e+01 -1.635e-01 -1.037e-01 -4.863e-02 / CHEB/ 1.602e+01 8.045e-02 5.046e-02 2.308e-02 / CHEB/ 3.342e-01 6.266e-02 3.773e-02 1.579e-02 / CHEB/ 1.531e-01 2.422e-02 1.478e-02 6.384e-03 / CHEB/ 5.370e-03 -1.643e-02 -8.541e-03 -2.241e-03 / CHEB/ -2.143e-02 -1.562e-02 -8.652e-03 -2.881e-03 /

2768.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.8	-9.4	-5.3	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-20.9	-9.5	-5.3	-3.1

Chebyshev(coeffs=[[-13.6728,-0.164393,-0.104221,-0.0488317],[16.0339,0.0817282,0.0512069,0.0233801],[0.389559,0.0618019,0.0372155,0.0155834],[0.137243,0.0248509,0.0151424,0.00652349],[0.0125469,-0.0165062,-0.00857919,-0.00225035],[-0.0126088,-0.0160148,-0.00887816,-0.00296545]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.69
S298 (cal/mol*K) = -18.10
G298 (kcal/mol) = 55.09

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(34); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.367e+01 -1.644e-01 -1.042e-01 -4.883e-02 / CHEB/ 1.603e+01 8.173e-02 5.121e-02 2.338e-02 / CHEB/ 3.896e-01 6.180e-02 3.722e-02 1.558e-02 / CHEB/ 1.372e-01 2.485e-02 1.514e-02 6.523e-03 / CHEB/ 1.255e-02 -1.651e-02 -8.579e-03 -2.250e-03 / CHEB/ -1.261e-02 -1.601e-02 -8.878e-03 -2.965e-03 /

2769.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-2.7	-1.4	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-2.9	-1.5	-0.8

Chebyshev(coeffs=[[0.884991,-0.737048,-0.356796,-0.0860205],[3.70119,0.651368,0.282199,0.0383269],[0.565157,0.0786332,0.0559968,0.02695],[0.111105,-0.00446325,0.000765118,0.00365318],[-0.0328031,-0.0298417,-0.0102232,0.00159481],[-0.0333579,-0.0184996,-0.00691803,0.000497357]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.55
S298 (cal/mol*K) = -38.93
G298 (kcal/mol) = -14.95

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(267); H(25), C7H11(267); C7H10(146)+H(25)(+M)=>C7H11(267)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.850e-01 -7.370e-01 -3.568e-01 -8.602e-02 / CHEB/ 3.701e+00 6.514e-01 2.822e-01 3.833e-02 / CHEB/ 5.652e-01 7.863e-02 5.600e-02 2.695e-02 / CHEB/ 1.111e-01 -4.463e-03 7.651e-04 3.653e-03 / CHEB/ -3.280e-02 -2.984e-02 -1.022e-02 1.595e-03 / CHEB/ -3.336e-02 -1.850e-02 -6.918e-03 4.974e-04 /

2770.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-3.0	-1.8	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-3.2	-1.9	-1.2

Chebyshev(coeffs=[[0.38983,-0.774702,-0.375625,-0.0926372],[3.82271,0.685313,0.295502,0.0406749],[0.55779,0.0684886,0.0527015,0.0268982],[-0.00273483,0.00171616,0.00522178,0.00620878],[-0.0113105,-0.0255508,-0.0081389,0.00218883],[-0.000878167,-0.0191021,-0.00747511,9.18152e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.12
S298 (cal/mol*K) = -17.92
G298 (kcal/mol) = -8.78

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(65); H(25), H(25); C7H10(146)+H(25)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.898e-01 -7.747e-01 -3.756e-01 -9.264e-02 / CHEB/ 3.823e+00 6.853e-01 2.955e-01 4.067e-02 / CHEB/ 5.578e-01 6.849e-02 5.270e-02 2.690e-02 / CHEB/ -2.735e-03 1.716e-03 5.222e-03 6.209e-03 / CHEB/ -1.131e-02 -2.555e-02 -8.139e-03 2.189e-03 / CHEB/ -8.782e-04 -1.910e-02 -7.475e-03 9.182e-05 /

2771.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.1	-12.2	-8.1	-6.0
log₁₀(k(10 bar)/[mole,m,s])	-24.2	-12.3	-8.1	-6.0

Chebyshev(coeffs=[[-17.0191,-0.156631,-0.100012,-0.0475314],[16.7015,0.073954,0.0467098,0.0216838],[0.242451,0.0602376,0.036545,0.015563],[0.0473153,0.0247893,0.0152952,0.00677347],[0.0127473,-0.0151894,-0.00794789,-0.0021367],[0.00123077,-0.0151421,-0.00849541,-0.0029409]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.99
S298 (cal/mol*K) = -6.30
G298 (kcal/mol) = 53.87

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(31); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.702e+01 -1.566e-01 -1.000e-01 -4.753e-02 / CHEB/ 1.670e+01 7.395e-02 4.671e-02 2.168e-02 / CHEB/ 2.425e-01 6.024e-02 3.655e-02 1.556e-02 / CHEB/ 4.732e-02 2.479e-02 1.530e-02 6.773e-03 / CHEB/ 1.275e-02 -1.519e-02 -7.948e-03 -2.137e-03 / CHEB/ 1.231e-03 -1.514e-02 -8.495e-03 -2.941e-03 /

2772.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.0	-12.1	-7.9	-5.7
log₁₀(k(10 bar)/[mole,m,s])	-24.1	-12.1	-7.9	-5.8

Chebyshev(coeffs=[[-16.904,-0.156631,-0.100012,-0.0475314],[16.8084,0.073954,0.0467098,0.0216838],[0.26605,0.0602376,0.036545,0.015563],[0.0542631,0.0247893,0.0152952,0.00677347],[0.0150477,-0.0151894,-0.00794789,-0.0021367],[0.0020412,-0.0151421,-0.00849541,-0.0029409]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.99
S298 (cal/mol*K) = -4.92
G298 (kcal/mol) = 53.46

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(35); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.690e+01 -1.566e-01 -1.000e-01 -4.753e-02 / CHEB/ 1.681e+01 7.395e-02 4.671e-02 2.168e-02 / CHEB/ 2.660e-01 6.024e-02 3.655e-02 1.556e-02 / CHEB/ 5.426e-02 2.479e-02 1.530e-02 6.773e-03 / CHEB/ 1.505e-02 -1.519e-02 -7.948e-03 -2.137e-03 / CHEB/ 2.041e-03 -1.514e-02 -8.495e-03 -2.941e-03 /

2773.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.2	-15.1	-10.2	-7.7
log₁₀(k(10 bar)/[mole,m,s])	-29.3	-15.2	-10.3	-7.7

Chebyshev(coeffs=[[-21.9399,-0.125503,-0.0814178,-0.0398975],[19.8735,0.0541828,0.034893,0.0168396],[0.266482,0.0509872,0.0316795,0.0142121],[0.0396022,0.0224986,0.0141459,0.00651302],[0.016374,-0.0126811,-0.00701322,-0.00230153],[0.00848766,-0.0133729,-0.0077997,-0.00300452]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.54
S298 (cal/mol*K) = -8.01
G298 (kcal/mol) = 64.93

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(30); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.194e+01 -1.255e-01 -8.142e-02 -3.990e-02 / CHEB/ 1.987e+01 5.418e-02 3.489e-02 1.684e-02 / CHEB/ 2.665e-01 5.099e-02 3.168e-02 1.421e-02 / CHEB/ 3.960e-02 2.250e-02 1.415e-02 6.513e-03 / CHEB/ 1.637e-02 -1.268e-02 -7.013e-03 -2.302e-03 / CHEB/ 8.488e-03 -1.337e-02 -7.800e-03 -3.005e-03 /

2774.

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PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.2	-15.1	-10.2	-7.7
log₁₀(k(10 bar)/[mole,m,s])	-29.3	-15.2	-10.3	-7.7

H298 (kcal/mol) = 62.54
S298 (cal/mol*K) = -8.01
G298 (kcal/mol) = 64.93

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(29); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.194e+01 -1.255e-01 -8.142e-02 -3.990e-02 / CHEB/ 1.987e+01 5.418e-02 3.489e-02 1.684e-02 / CHEB/ 2.665e-01 5.099e-02 3.168e-02 1.421e-02 / CHEB/ 3.960e-02 2.250e-02 1.415e-02 6.513e-03 / CHEB/ 1.637e-02 -1.268e-02 -7.013e-03 -2.302e-03 / CHEB/ 8.488e-03 -1.337e-02 -7.800e-03 -3.005e-03 /

2775.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+0.1	+0.9	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-2.6	-0.0	+0.8	+1.1

Chebyshev(coeffs=[[4.06026,-0.813805,-0.389964,-0.0928958],[2.82953,0.699279,0.295304,0.0356023],[0.346246,0.0826516,0.0582909,0.0268575],[-0.0745587,0.00249931,0.00667568,0.0073373],[-0.0441215,-0.0266239,-0.00791935,0.00278834],[-0.0125372,-0.0189476,-0.00709624,0.000423599]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.74
S298 (cal/mol*K) = -40.96
G298 (kcal/mol) = -22.53

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(283); H(25), C7H11(283); C7H10(146)+H(25)(+M)=>C7H11(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.060e+00 -8.138e-01 -3.900e-01 -9.290e-02 / CHEB/ 2.830e+00 6.993e-01 2.953e-01 3.560e-02 / CHEB/ 3.462e-01 8.265e-02 5.829e-02 2.686e-02 / CHEB/ -7.456e-02 2.499e-03 6.676e-03 7.337e-03 / CHEB/ -4.412e-02 -2.662e-02 -7.919e-03 2.788e-03 / CHEB/ -1.254e-02 -1.895e-02 -7.096e-03 4.236e-04 /

2776.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+0.2	+0.4	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-1.8	-0.0	+0.3	+0.2

Chebyshev(coeffs=[[4.575,-0.918679,-0.426878,-0.0923576],[1.86137,0.726341,0.290887,0.0224647],[0.0305968,0.126664,0.0737955,0.0254409],[-0.126003,0.00916372,0.0125384,0.0104846],[-0.0751008,-0.0299436,-0.00689588,0.00479038],[-0.0289835,-0.0193143,-0.0063105,0.00128383]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.95
S298 (cal/mol*K) = -37.56
G298 (kcal/mol) = -28.76

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(284); H(25), C7H11(284); C7H10(146)+H(25)(+M)=>C7H11(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.575e+00 -9.187e-01 -4.269e-01 -9.236e-02 / CHEB/ 1.861e+00 7.263e-01 2.909e-01 2.246e-02 / CHEB/ 3.060e-02 1.267e-01 7.380e-02 2.544e-02 / CHEB/ -1.260e-01 9.164e-03 1.254e-02 1.048e-02 / CHEB/ -7.510e-02 -2.994e-02 -6.896e-03 4.790e-03 / CHEB/ -2.898e-02 -1.931e-02 -6.311e-03 1.284e-03 /

2777.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	-1.0	+0.2	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-4.7	-1.2	+0.2	+0.8

Chebyshev(coeffs=[[2.20477,-0.751465,-0.368791,-0.0941274],[4.10261,0.661354,0.289325,0.0428305],[0.553659,0.062908,0.0493889,0.0258968],[-0.0217566,0.00480928,0.00585206,0.00562155],[-0.0208222,-0.0243455,-0.00764141,0.00223207],[-0.00525627,-0.0191465,-0.00744879,0.000158107]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.73
S298 (cal/mol*K) = -19.97
G298 (kcal/mol) = -10.78

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(285); H(25), C7H11(285); C7H10(146)+H(25)(+M)=>C7H11(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.205e+00 -7.515e-01 -3.688e-01 -9.413e-02 / CHEB/ 4.103e+00 6.614e-01 2.893e-01 4.283e-02 / CHEB/ 5.537e-01 6.291e-02 4.939e-02 2.590e-02 / CHEB/ -2.176e-02 4.809e-03 5.852e-03 5.622e-03 / CHEB/ -2.082e-02 -2.435e-02 -7.641e-03 2.232e-03 / CHEB/ -5.256e-03 -1.915e-02 -7.449e-03 1.581e-04 /

2778.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	-1.6	-0.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-1.8	-1.0	-0.6

Chebyshev(coeffs=[[2.21909,-0.841116,-0.399111,-0.0922759],[2.94866,0.713051,0.296918,0.0325346],[0.300833,0.0943411,0.0629768,0.0270187],[-0.0580526,0.00222102,0.00752572,0.0082601],[-0.0317516,-0.0280712,-0.00806183,0.0031538],[-0.0130441,-0.0189462,-0.00698856,0.000524388]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.30
S298 (cal/mol*K) = -18.38
G298 (kcal/mol) = -23.82

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(286); H(25), C7H11(286); C7H10(146)+H(25)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.219e+00 -8.411e-01 -3.991e-01 -9.228e-02 / CHEB/ 2.949e+00 7.131e-01 2.969e-01 3.253e-02 / CHEB/ 3.008e-01 9.434e-02 6.298e-02 2.702e-02 / CHEB/ -5.805e-02 2.221e-03 7.526e-03 8.260e-03 / CHEB/ -3.175e-02 -2.807e-02 -8.062e-03 3.154e-03 / CHEB/ -1.304e-02 -1.895e-02 -6.989e-03 5.244e-04 /

2779.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-8.6	-6.3	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-8.7	-6.3	-5.1

Chebyshev(coeffs=[[-7.19677,-0.489865,-0.272105,-0.0951794],[7.25307,0.411029,0.215675,0.0632652],[0.783923,0.0591853,0.0363178,0.0156695],[0.0695149,0.0149025,0.00937001,0.0043911],[0.00586935,-0.0214466,-0.00772437,0.00121674],[0.00113226,-0.0194758,-0.0088564,-0.00115501]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.28
S298 (cal/mol*K) = -35.50
G298 (kcal/mol) = -39.70

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(287); H(25), C7H11(287); C7H10(146)+H(25)(+M)=>C7H11(287)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.197e+00 -4.899e-01 -2.721e-01 -9.518e-02 / CHEB/ 7.253e+00 4.110e-01 2.157e-01 6.327e-02 / CHEB/ 7.839e-01 5.919e-02 3.632e-02 1.567e-02 / CHEB/ 6.951e-02 1.490e-02 9.370e-03 4.391e-03 / CHEB/ 5.869e-03 -2.145e-02 -7.724e-03 1.217e-03 / CHEB/ 1.132e-03 -1.948e-02 -8.856e-03 -1.155e-03 /

2780.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.1	-17.0	-11.7	-9.0
log₁₀(k(10 bar)/[mole,m,s])	-32.2	-17.1	-11.7	-9.0

Chebyshev(coeffs=[[-24.7089,-0.114796,-0.0748734,-0.0370661],[21.2646,0.0497342,0.0322375,0.0157574],[0.32771,0.0478496,0.0300095,0.0137313],[0.0939228,0.0201921,0.0128174,0.00601725],[0.0118517,-0.0119638,-0.00676412,-0.00237711],[-0.00195029,-0.0122205,-0.00724068,-0.00290337]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.39
S298 (cal/mol*K) = -14.72
G298 (kcal/mol) = 70.78

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(288); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.471e+01 -1.148e-01 -7.487e-02 -3.707e-02 / CHEB/ 2.126e+01 4.973e-02 3.224e-02 1.576e-02 / CHEB/ 3.277e-01 4.785e-02 3.001e-02 1.373e-02 / CHEB/ 9.392e-02 2.019e-02 1.282e-02 6.017e-03 / CHEB/ 1.185e-02 -1.196e-02 -6.764e-03 -2.377e-03 / CHEB/ -1.950e-03 -1.222e-02 -7.241e-03 -2.903e-03 /

2784.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+1.4	+2.8	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+1.1	+2.7	+3.4

Chebyshev(coeffs=[[3.60733,-1.08631,-0.186335,0.0121743],[5.57096,0.846821,0.0154148,-0.0518584],[0.216138,0.234936,0.0965499,-0.0105818],[0.0358859,0.0291028,0.0466486,0.0148364],[-0.03282,-0.0444157,0.011267,0.0152795],[-0.0248899,-0.0377838,-0.00629345,0.00724197]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.62
S298 (cal/mol*K) = -38.13
G298 (kcal/mol) = 5.74

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(269); C2H4(115), C7H11(269); C5H7(210)+C2H4(115)(+M)=>C7H11(269)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.607e+00 -1.086e+00 -1.863e-01 1.217e-02 / CHEB/ 5.571e+00 8.468e-01 1.541e-02 -5.186e-02 / CHEB/ 2.161e-01 2.349e-01 9.655e-02 -1.058e-02 / CHEB/ 3.589e-02 2.910e-02 4.665e-02 1.484e-02 / CHEB/ -3.282e-02 -4.442e-02 1.127e-02 1.528e-02 / CHEB/ -2.489e-02 -3.778e-02 -6.293e-03 7.242e-03 /

2785.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+0.6	+1.6	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+0.2	+1.5	+2.0

Chebyshev(coeffs=[[3.60905,-1.20792,-0.149348,0.00964688],[4.31163,0.906523,-0.0291542,-0.0420712],[0.0930363,0.300597,0.0820391,-0.018252],[0.0447821,0.0350747,0.0577019,0.0100728],[-0.0256531,-0.0512388,0.0204856,0.0152822],[-0.023056,-0.0433479,-0.00370118,0.00920312]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.58
S298 (cal/mol*K) = -42.24
G298 (kcal/mol) = -4.99

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(268); C2H4(115), C7H11(268); C5H7(210)+C2H4(115)(+M)=>C7H11(268)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.609e+00 -1.208e+00 -1.493e-01 9.647e-03 / CHEB/ 4.312e+00 9.065e-01 -2.915e-02 -4.207e-02 / CHEB/ 9.304e-02 3.006e-01 8.204e-02 -1.825e-02 / CHEB/ 4.478e-02 3.507e-02 5.770e-02 1.007e-02 / CHEB/ -2.565e-02 -5.124e-02 2.049e-02 1.528e-02 / CHEB/ -2.306e-02 -4.335e-02 -3.701e-03 9.203e-03 /

2786.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-1.4	+1.7	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-1.6	+1.6	+3.2

Chebyshev(coeffs=[[-3.22903,-0.510372,-0.233042,-0.0444395],[12.0261,0.351685,0.136693,0.00410519],[0.363494,0.141291,0.0684995,0.0148702],[0.0845948,0.038915,0.0236782,0.0101661],[-0.00555511,-0.0334339,-0.00582918,0.00732216],[-0.0117995,-0.0289969,-0.0103313,0.00113842]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.45
S298 (cal/mol*K) = -6.75
G298 (kcal/mol) = 34.46

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(146); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>C7H10(146)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.229e+00 -5.104e-01 -2.330e-01 -4.444e-02 / CHEB/ 1.203e+01 3.517e-01 1.367e-01 4.105e-03 / CHEB/ 3.635e-01 1.413e-01 6.850e-02 1.487e-02 / CHEB/ 8.459e-02 3.891e-02 2.368e-02 1.017e-02 / CHEB/ -5.555e-03 -3.343e-02 -5.829e-03 7.322e-03 / CHEB/ -1.180e-02 -2.900e-02 -1.033e-02 1.138e-03 /

2787.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-3.0	+0.2	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-3.1	+0.2	+1.9

Chebyshev(coeffs=[[-5.03822,-0.492199,-0.228782,-0.0464022],[12.4288,0.338711,0.135353,0.00688617],[0.391164,0.137628,0.0674104,0.0153171],[0.101771,0.0374702,0.0230009,0.0100381],[-0.00197076,-0.0329361,-0.00637624,0.00677414],[-0.0132102,-0.0281969,-0.010405,0.000785781]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.76
S298 (cal/mol*K) = -27.37
G298 (kcal/mol) = 4.40

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(270); C2H4(115), C7H11(270); C5H7(210)+C2H4(115)(+M)=>C7H11(270)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.038e+00 -4.922e-01 -2.288e-01 -4.640e-02 / CHEB/ 1.243e+01 3.387e-01 1.354e-01 6.886e-03 / CHEB/ 3.912e-01 1.376e-01 6.741e-02 1.532e-02 / CHEB/ 1.018e-01 3.747e-02 2.300e-02 1.004e-02 / CHEB/ -1.971e-03 -3.294e-02 -6.376e-03 6.774e-03 / CHEB/ -1.321e-02 -2.820e-02 -1.040e-02 7.858e-04 /

2788.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-1.1	+1.4	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-1.3	+1.4	+2.7

Chebyshev(coeffs=[[-1.33797,-0.680353,-0.251549,-0.0196829],[9.55546,0.509362,0.13944,-0.0259535],[0.412945,0.161689,0.0781147,0.0127324],[0.0989207,0.0347558,0.025904,0.0129093],[-0.00702505,-0.0385156,-0.00231186,0.010389],[-0.0147134,-0.0318725,-0.00980632,0.00261453]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.15
S298 (cal/mol*K) = -32.70
G298 (kcal/mol) = -15.41

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(271); C2H4(115), C7H11(271); C5H7(210)+C2H4(115)(+M)=>C7H11(271)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.338e+00 -6.804e-01 -2.515e-01 -1.968e-02 / CHEB/ 9.555e+00 5.094e-01 1.394e-01 -2.595e-02 / CHEB/ 4.129e-01 1.617e-01 7.811e-02 1.273e-02 / CHEB/ 9.892e-02 3.476e-02 2.590e-02 1.291e-02 / CHEB/ -7.025e-03 -3.852e-02 -2.312e-03 1.039e-02 / CHEB/ -1.471e-02 -3.187e-02 -9.806e-03 2.615e-03 /

2789.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+0.3	+2.3	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-0.0	+2.2	+3.2

Chebyshev(coeffs=[[1.39127,-0.89139,-0.230839,0.00621898],[7.38698,0.708977,0.0912282,-0.0535559],[0.413015,0.182283,0.0935834,0.00541358],[0.0935987,0.0278192,0.032548,0.0163845],[-0.0119065,-0.0423466,0.00253447,0.013],[-0.0167434,-0.0346034,-0.00895474,0.00438694]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.79
S298 (cal/mol*K) = -30.69
G298 (kcal/mol) = 15.94

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(272); C2H4(115), C7H11(272); C5H7(210)+C2H4(115)(+M)=>C7H11(272)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.391e+00 -8.914e-01 -2.308e-01 6.219e-03 / CHEB/ 7.387e+00 7.090e-01 9.123e-02 -5.356e-02 / CHEB/ 4.130e-01 1.823e-01 9.358e-02 5.414e-03 / CHEB/ 9.360e-02 2.782e-02 3.255e-02 1.638e-02 / CHEB/ -1.191e-02 -4.235e-02 2.534e-03 1.300e-02 / CHEB/ -1.674e-02 -3.460e-02 -8.955e-03 4.387e-03 /

2790.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-0.2	+1.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-0.5	+1.4	+2.3

Chebyshev(coeffs=[[1.3559,-0.970707,-0.214957,0.0106622],[6.61386,0.771246,0.0619676,-0.055794],[0.333727,0.198351,0.0974837,-0.000679062],[0.0710939,0.0277292,0.0373356,0.016648],[-0.0210365,-0.0431202,0.00547405,0.0140567],[-0.0207119,-0.0359114,-0.00807157,0.00543312]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.41
S298 (cal/mol*K) = -31.79
G298 (kcal/mol) = 7.06

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(273); C2H4(115), C7H11(273); C5H7(210)+C2H4(115)(+M)=>C7H11(273)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.356e+00 -9.707e-01 -2.150e-01 1.066e-02 / CHEB/ 6.614e+00 7.712e-01 6.197e-02 -5.579e-02 / CHEB/ 3.337e-01 1.984e-01 9.748e-02 -6.791e-04 / CHEB/ 7.109e-02 2.773e-02 3.734e-02 1.665e-02 / CHEB/ -2.104e-02 -4.312e-02 5.474e-03 1.406e-02 / CHEB/ -2.071e-02 -3.591e-02 -8.072e-03 5.433e-03 /

2791.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-1.4	+0.6	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-1.7	+0.5	+1.6

Chebyshev(coeffs=[[-0.379938,-0.877285,-0.2343,0.00513348],[7.49135,0.692732,0.0964185,-0.0526936],[0.395437,0.182936,0.0918991,0.00596672],[0.0886207,0.0285982,0.0322912,0.0160903],[-0.0136936,-0.041969,0.00241992,0.0129074],[-0.0174909,-0.0342425,-0.00897347,0.00433431]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.41
S298 (cal/mol*K) = -31.79
G298 (kcal/mol) = 7.06

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(274); C2H4(115), C7H11(274); C5H7(210)+C2H4(115)(+M)=>C7H11(274)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.799e-01 -8.773e-01 -2.343e-01 5.133e-03 / CHEB/ 7.491e+00 6.927e-01 9.642e-02 -5.269e-02 / CHEB/ 3.954e-01 1.829e-01 9.190e-02 5.967e-03 / CHEB/ 8.862e-02 2.860e-02 3.229e-02 1.609e-02 / CHEB/ -1.369e-02 -4.197e-02 2.420e-03 1.291e-02 / CHEB/ -1.749e-02 -3.424e-02 -8.973e-03 4.334e-03 /

2792.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-5.5	-1.7	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-5.7	-1.7	+0.3

Chebyshev(coeffs=[[-8.88623,-0.401764,-0.20385,-0.0546834],[14.5465,0.268652,0.12229,0.0190477],[0.490298,0.118437,0.0611487,0.0169029],[0.132498,0.0352818,0.0210924,0.00890248],[0.0109301,-0.0298023,-0.00822939,0.00422745],[-0.00827769,-0.0256675,-0.0106435,-0.000450116]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.99
S298 (cal/mol*K) = -31.11
G298 (kcal/mol) = 18.26

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(275); C2H4(115), C7H11(275); C5H7(210)+C2H4(115)(+M)=>C7H11(275)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.886e+00 -4.018e-01 -2.039e-01 -5.468e-02 / CHEB/ 1.455e+01 2.687e-01 1.223e-01 1.905e-02 / CHEB/ 4.903e-01 1.184e-01 6.115e-02 1.690e-02 / CHEB/ 1.325e-01 3.528e-02 2.109e-02 8.902e-03 / CHEB/ 1.093e-02 -2.980e-02 -8.229e-03 4.227e-03 / CHEB/ -8.278e-03 -2.567e-02 -1.064e-02 -4.501e-04 /

2793.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-4.1	+0.6	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-4.2	+0.6	+3.0

Chebyshev(coeffs=[[-11.3282,-0.223588,-0.13344,-0.0549173],[20.2663,0.116458,0.0670149,0.0250439],[0.052179,0.0835234,0.0473185,0.0170674],[0.00774348,0.0336683,0.0198484,0.00796937],[-0.0223775,-0.0192187,-0.00814476,-0.00019904],[-0.0185924,-0.0193143,-0.00959987,-0.0021241]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.07
S298 (cal/mol*K) = 9.44
G298 (kcal/mol) = 62.26

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C5H7(210); C2H4(115), C2H4(72); C5H7(210)+C2H4(115)(+M)=>C5H7(210)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.133e+01 -2.236e-01 -1.334e-01 -5.492e-02 / CHEB/ 2.027e+01 1.165e-01 6.701e-02 2.504e-02 / CHEB/ 5.218e-02 8.352e-02 4.732e-02 1.707e-02 / CHEB/ 7.743e-03 3.367e-02 1.985e-02 7.969e-03 / CHEB/ -2.238e-02 -1.922e-02 -8.145e-03 -1.990e-04 / CHEB/ -1.859e-02 -1.931e-02 -9.600e-03 -2.124e-03 /

2794.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.3	-11.8	-4.8	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-33.4	-11.8	-4.8	-1.4

Chebyshev(coeffs=[[-25.6621,-0.105494,-0.0687849,-0.0340267],[30.4881,0.0427804,0.0277581,0.0135925],[-0.0979342,0.0460539,0.0289912,0.0133678],[-0.0444921,0.0220352,0.013994,0.00657403],[-0.0345636,-0.010663,-0.00602199,-0.0021074],[-0.0211009,-0.0119665,-0.00708902,-0.00283974]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.21
S298 (cal/mol*K) = 12.41
G298 (kcal/mol) = 95.52

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C4H5(99); C2H4(115), C3H6(276); C5H7(210)+C2H4(115)(+M)=>C3H6(276)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.566e+01 -1.055e-01 -6.878e-02 -3.403e-02 / CHEB/ 3.049e+01 4.278e-02 2.776e-02 1.359e-02 / CHEB/ -9.793e-02 4.605e-02 2.899e-02 1.337e-02 / CHEB/ -4.449e-02 2.204e-02 1.399e-02 6.574e-03 / CHEB/ -3.456e-02 -1.066e-02 -6.022e-03 -2.107e-03 / CHEB/ -2.110e-02 -1.197e-02 -7.089e-03 -2.840e-03 /

2795.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.6	-9.3	-3.4	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-26.8	-9.4	-3.4	-0.5

Chebyshev(coeffs=[[-19.2051,-0.169488,-0.105518,-0.0476141],[24.5428,0.081053,0.049439,0.0212775],[0.136452,0.0674969,0.0400717,0.0162336],[0.0702226,0.0290573,0.0176572,0.00756915],[-0.00861259,-0.0156753,-0.00762804,-0.0014272],[-0.0286375,-0.0162739,-0.00875553,-0.00265245]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.95
S298 (cal/mol*K) = -1.87
G298 (kcal/mol) = 76.51

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(18); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>C7H10(18)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.921e+01 -1.695e-01 -1.055e-01 -4.761e-02 / CHEB/ 2.454e+01 8.105e-02 4.944e-02 2.128e-02 / CHEB/ 1.365e-01 6.750e-02 4.007e-02 1.623e-02 / CHEB/ 7.022e-02 2.906e-02 1.766e-02 7.569e-03 / CHEB/ -8.613e-03 -1.568e-02 -7.628e-03 -1.427e-03 / CHEB/ -2.864e-02 -1.627e-02 -8.756e-03 -2.652e-03 /

2796.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.7	-9.8	-4.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-26.9	-9.9	-4.1	-1.2

Chebyshev(coeffs=[[-19.3554,-0.177273,-0.109709,-0.0488904],[23.9337,0.0861155,0.0521015,0.0220129],[0.139336,0.0699068,0.0412189,0.0164289],[0.0731926,0.029734,0.0179856,0.00763469],[-0.00821795,-0.0162407,-0.00775544,-0.00128391],[-0.0291693,-0.0167335,-0.00890161,-0.00259352]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.38
S298 (cal/mol*K) = -5.71
G298 (kcal/mol) = 77.08

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(89); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.936e+01 -1.773e-01 -1.097e-01 -4.889e-02 / CHEB/ 2.393e+01 8.612e-02 5.210e-02 2.201e-02 / CHEB/ 1.393e-01 6.991e-02 4.122e-02 1.643e-02 / CHEB/ 7.319e-02 2.973e-02 1.799e-02 7.635e-03 / CHEB/ -8.218e-03 -1.624e-02 -7.755e-03 -1.284e-03 / CHEB/ -2.917e-02 -1.673e-02 -8.902e-03 -2.594e-03 /

2797.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-40.0	-16.1	-8.1	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-40.1	-16.1	-8.1	-4.1

Chebyshev(coeffs=[[-31.9878,-0.0915132,-0.0602298,-0.0303215],[33.8067,0.0355627,0.0233527,0.0117],[0.117483,0.0408878,0.0260815,0.0123542],[0.0163017,0.0199672,0.0128216,0.0061566],[-0.0135686,-0.0095109,-0.00554177,-0.00211933],[-0.0133121,-0.0108427,-0.00656503,-0.00277232]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.89
S298 (cal/mol*K) = 0.14
G298 (kcal/mol) = 107.85

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(95); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.199e+01 -9.151e-02 -6.023e-02 -3.032e-02 / CHEB/ 3.381e+01 3.556e-02 2.335e-02 1.170e-02 / CHEB/ 1.175e-01 4.089e-02 2.608e-02 1.235e-02 / CHEB/ 1.630e-02 1.997e-02 1.282e-02 6.157e-03 / CHEB/ -1.357e-02 -9.511e-03 -5.542e-03 -2.119e-03 / CHEB/ -1.331e-02 -1.084e-02 -6.565e-03 -2.772e-03 /

2798.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.3	-14.0	-5.6	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-39.4	-14.0	-5.6	-1.6

Chebyshev(coeffs=[[-31.3226,-0.0769858,-0.0511486,-0.0261998],[35.9143,0.0284718,0.0189187,0.00968902],[-0.0574789,0.0353366,0.0228508,0.0111202],[-0.0369267,0.0175575,0.011408,0.00560438],[-0.0307731,-0.00827627,-0.00497679,-0.0020632],[-0.0189429,-0.00957591,-0.00593028,-0.00263594]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 116.04
S298 (cal/mol*K) = 16.15
G298 (kcal/mol) = 111.23

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C5H8(277); C2H4(115), C2H3(100); C5H7(210)+C2H4(115)(+M)=>C5H8(277)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.132e+01 -7.699e-02 -5.115e-02 -2.620e-02 / CHEB/ 3.591e+01 2.847e-02 1.892e-02 9.689e-03 / CHEB/ -5.748e-02 3.534e-02 2.285e-02 1.112e-02 / CHEB/ -3.693e-02 1.756e-02 1.141e-02 5.604e-03 / CHEB/ -3.077e-02 -8.276e-03 -4.977e-03 -2.063e-03 / CHEB/ -1.894e-02 -9.576e-03 -5.930e-03 -2.636e-03 /

2799.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.3	-13.1	-5.7	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-35.4	-13.2	-5.7	-2.0

Chebyshev(coeffs=[[-27.3917,-0.107474,-0.0699814,-0.0345303],[31.2842,0.0438397,0.0283957,0.0138576],[0.144361,0.0467664,0.0293849,0.0134971],[0.0271749,0.0223114,0.0141477,0.00662574],[-0.0109359,-0.0108244,-0.00608588,-0.00210119],[-0.0128611,-0.0121191,-0.00715737,-0.00284509]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.69
S298 (cal/mol*K) = -0.96
G298 (kcal/mol) = 98.97

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(96); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.739e+01 -1.075e-01 -6.998e-02 -3.453e-02 / CHEB/ 3.128e+01 4.384e-02 2.840e-02 1.386e-02 / CHEB/ 1.444e-01 4.677e-02 2.938e-02 1.350e-02 / CHEB/ 2.717e-02 2.231e-02 1.415e-02 6.626e-03 / CHEB/ -1.094e-02 -1.082e-02 -6.086e-03 -2.101e-03 / CHEB/ -1.286e-02 -1.212e-02 -7.157e-03 -2.845e-03 /

2800.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.3	-13.1	-5.7	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-35.4	-13.2	-5.7	-2.0

H298 (kcal/mol) = 98.69
S298 (cal/mol*K) = -0.96
G298 (kcal/mol) = 98.97

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(97); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.739e+01 -1.075e-01 -6.998e-02 -3.453e-02 / CHEB/ 3.128e+01 4.384e-02 2.840e-02 1.386e-02 / CHEB/ 1.444e-01 4.677e-02 2.938e-02 1.350e-02 / CHEB/ 2.717e-02 2.231e-02 1.415e-02 6.626e-03 / CHEB/ -1.094e-02 -1.082e-02 -6.086e-03 -2.101e-03 / CHEB/ -1.286e-02 -1.212e-02 -7.157e-03 -2.845e-03 /

2801.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-40.0	-15.5	-7.3	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-40.0	-15.6	-7.3	-3.2

Chebyshev(coeffs=[[-31.8911,-0.0880627,-0.0580904,-0.0293674],[34.5305,0.0338321,0.0222804,0.0112234],[0.134925,0.0396014,0.025343,0.0120824],[0.0214471,0.0194138,0.012501,0.0060354],[-0.0119644,-0.00922051,-0.00541333,-0.00211225],[-0.0126416,-0.0105512,-0.00642291,-0.00274637]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 110.09
S298 (cal/mol*K) = -0.28
G298 (kcal/mol) = 110.17

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(37); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.189e+01 -8.806e-02 -5.809e-02 -2.937e-02 / CHEB/ 3.453e+01 3.383e-02 2.228e-02 1.122e-02 / CHEB/ 1.349e-01 3.960e-02 2.534e-02 1.208e-02 / CHEB/ 2.145e-02 1.941e-02 1.250e-02 6.035e-03 / CHEB/ -1.196e-02 -9.221e-03 -5.413e-03 -2.112e-03 / CHEB/ -1.264e-02 -1.055e-02 -6.423e-03 -2.746e-03 /

2802.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-0.1	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-0.4	+1.4	+2.2

Chebyshev(coeffs=[[1.59938,-0.991748,-0.213615,0.011965],[6.37443,0.773478,0.0555678,-0.0565497],[0.251822,0.21027,0.0955072,-0.00305207],[0.0430736,0.0314392,0.0395464,0.0158199],[-0.0309853,-0.0425336,0.00758957,0.0144123],[-0.0241999,-0.0362716,-0.00720563,0.00611059]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.33
S298 (cal/mol*K) = -34.98
G298 (kcal/mol) = -1.91

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(278); C2H4(115), C7H11(278); C5H7(210)+C2H4(115)(+M)=>C7H11(278)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.599e+00 -9.917e-01 -2.136e-01 1.196e-02 / CHEB/ 6.374e+00 7.735e-01 5.557e-02 -5.655e-02 / CHEB/ 2.518e-01 2.103e-01 9.551e-02 -3.052e-03 / CHEB/ 4.307e-02 3.144e-02 3.955e-02 1.582e-02 / CHEB/ -3.099e-02 -4.253e-02 7.590e-03 1.441e-02 / CHEB/ -2.420e-02 -3.627e-02 -7.206e-03 6.111e-03 /

2803.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-4.3	-0.6	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-4.4	-0.7	+1.2

Chebyshev(coeffs=[[-7.66673,-0.394803,-0.202583,-0.0561257],[14.4934,0.250724,0.116232,0.0197989],[0.305326,0.123207,0.0622342,0.0160626],[0.0799429,0.038514,0.0224307,0.00891935],[-0.00583598,-0.0287254,-0.00759312,0.00450192],[-0.0141073,-0.0256928,-0.0103817,-0.000135191]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.05
S298 (cal/mol*K) = -29.92
G298 (kcal/mol) = 4.87

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(279); C2H4(115), C7H11(279); C5H7(210)+C2H4(115)(+M)=>C7H11(279)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.667e+00 -3.948e-01 -2.026e-01 -5.613e-02 / CHEB/ 1.449e+01 2.507e-01 1.162e-01 1.980e-02 / CHEB/ 3.053e-01 1.232e-01 6.223e-02 1.606e-02 / CHEB/ 7.994e-02 3.851e-02 2.243e-02 8.919e-03 / CHEB/ -5.836e-03 -2.873e-02 -7.593e-03 4.502e-03 / CHEB/ -1.411e-02 -2.569e-02 -1.038e-02 -1.352e-04 /

2804.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-1.6	+0.8	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-1.8	+0.7	+1.9

Chebyshev(coeffs=[[-1.9487,-0.660242,-0.254152,-0.0239777],[9.60099,0.471465,0.13872,-0.0210008],[0.247241,0.169946,0.0765542,0.0107297],[0.0546279,0.0403151,0.0272219,0.0121336],[-0.0227317,-0.0371178,-0.00144165,0.0106906],[-0.0214201,-0.0319681,-0.00924813,0.00308151]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.09
S298 (cal/mol*K) = -33.89
G298 (kcal/mol) = 21.19

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(280); C2H4(115), C7H11(280); C5H7(210)+C2H4(115)(+M)=>C7H11(280)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.949e+00 -6.602e-01 -2.542e-01 -2.398e-02 / CHEB/ 9.601e+00 4.715e-01 1.387e-01 -2.100e-02 / CHEB/ 2.472e-01 1.699e-01 7.655e-02 1.073e-02 / CHEB/ 5.463e-02 4.032e-02 2.722e-02 1.213e-02 / CHEB/ -2.273e-02 -3.712e-02 -1.442e-03 1.069e-02 / CHEB/ -2.142e-02 -3.197e-02 -9.248e-03 3.082e-03 /

2805.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.9	-13.5	-5.7	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-36.9	-13.5	-5.7	-1.8

Chebyshev(coeffs=[[-28.9453,-0.0940174,-0.0617756,-0.0310042],[33.0757,0.0368164,0.0241256,0.0120396],[0.0548212,0.0418391,0.0266249,0.0125513],[-0.00114028,0.0203488,0.0130406,0.00623726],[-0.0197342,-0.0097178,-0.00563088,-0.00212106],[-0.0155998,-0.0110487,-0.00666355,-0.00278803]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.38
S298 (cal/mol*K) = 8.13
G298 (kcal/mol) = 94.96

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C6H9(281); C2H4(115), CH2(T)(82); C5H7(210)+C2H4(115)(+M)=>C6H9(281)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.895e+01 -9.402e-02 -6.178e-02 -3.100e-02 / CHEB/ 3.308e+01 3.682e-02 2.413e-02 1.204e-02 / CHEB/ 5.482e-02 4.184e-02 2.662e-02 1.255e-02 / CHEB/ -1.140e-03 2.035e-02 1.304e-02 6.237e-03 / CHEB/ -1.973e-02 -9.718e-03 -5.631e-03 -2.121e-03 / CHEB/ -1.560e-02 -1.105e-02 -6.664e-03 -2.788e-03 /

2806.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.5	-17.1	-8.9	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-41.5	-17.1	-8.9	-4.7

Chebyshev(coeffs=[[-33.3165,-0.0885384,-0.0583799,-0.0294911],[34.3419,0.0348674,0.0229382,0.0115321],[0.224152,0.0394989,0.0252789,0.0120537],[0.00383242,0.0193422,0.0124558,0.00601451],[-0.00784064,-0.00935524,-0.00549421,-0.00214575],[0.00359957,-0.0106193,-0.00646704,-0.00276801]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.09
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = 109.95

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(282); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(282)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.332e+01 -8.854e-02 -5.838e-02 -2.949e-02 / CHEB/ 3.434e+01 3.487e-02 2.294e-02 1.153e-02 / CHEB/ 2.242e-01 3.950e-02 2.528e-02 1.205e-02 / CHEB/ 3.832e-03 1.934e-02 1.246e-02 6.015e-03 / CHEB/ -7.841e-03 -9.355e-03 -5.494e-03 -2.146e-03 / CHEB/ 3.600e-03 -1.062e-02 -6.467e-03 -2.768e-03 /

2807.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-5.6	-3.6	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-6.1	-3.7	-2.7

Chebyshev(coeffs=[[-5.07259,-1.87353,-0.366068,0.00775226],[8.01202,1.62636,0.117516,-0.0832721],[0.396595,0.266377,0.163587,0.00801604],[0.0398141,-0.0447759,0.0375576,0.0238836],[-0.0312025,-0.0749827,-0.00814685,0.012666],[-0.0175295,-0.0300948,-0.0096427,0.00249514]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.37
S298 (cal/mol*K) = -44.53
G298 (kcal/mol) = 29.63

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(1); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.073e+00 -1.874e+00 -3.661e-01 7.752e-03 / CHEB/ 8.012e+00 1.626e+00 1.175e-01 -8.327e-02 / CHEB/ 3.966e-01 2.664e-01 1.636e-01 8.016e-03 / CHEB/ 3.981e-02 -4.478e-02 3.756e-02 2.388e-02 / CHEB/ -3.120e-02 -7.498e-02 -8.147e-03 1.267e-02 / CHEB/ -1.753e-02 -3.009e-02 -9.643e-03 2.495e-03 /

2808.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-8.1	-4.1	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-8.2	-4.2	-2.1

Chebyshev(coeffs=[[-12.621,-0.515059,-0.285932,-0.0993782],[16.1797,0.347634,0.184914,0.055788],[0.223629,0.127922,0.0658147,0.0184126],[0.110991,0.0249272,0.0133928,0.0044364],[-0.0134519,-0.0296268,-0.00972737,0.00247101],[-0.0326714,-0.0231719,-0.00880798,0.000571424]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.20
S298 (cal/mol*K) = -23.89
G298 (kcal/mol) = 52.32

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(264); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(264)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.262e+01 -5.151e-01 -2.859e-01 -9.938e-02 / CHEB/ 1.618e+01 3.476e-01 1.849e-01 5.579e-02 / CHEB/ 2.236e-01 1.279e-01 6.581e-02 1.841e-02 / CHEB/ 1.110e-01 2.493e-02 1.339e-02 4.436e-03 / CHEB/ -1.345e-02 -2.963e-02 -9.727e-03 2.471e-03 / CHEB/ -3.267e-02 -2.317e-02 -8.808e-03 5.714e-04 /

2809.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-7.4	-3.8	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-18.4	-7.6	-3.8	-1.9

Chebyshev(coeffs=[[-10.5758,-0.95661,-0.377096,-0.0584457],[13.9235,0.991755,0.304618,-0.0138293],[0.88967,-0.130273,0.0197929,0.0483161],[-0.133994,0.0528104,0.0308361,0.00768254],[0.00115544,0.0270756,-0.00849677,-0.00873156],[0.0287439,-0.0672104,-0.0183945,0.00583982]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.46
S298 (cal/mol*K) = -47.08
G298 (kcal/mol) = 10.57

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(265); C2H4(115), C7H11(265); C5H7(210)+C2H4(115)(+M)=>C7H11(265)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.058e+01 -9.566e-01 -3.771e-01 -5.845e-02 / CHEB/ 1.392e+01 9.918e-01 3.046e-01 -1.383e-02 / CHEB/ 8.897e-01 -1.303e-01 1.979e-02 4.832e-02 / CHEB/ -1.340e-01 5.281e-02 3.084e-02 7.683e-03 / CHEB/ 1.155e-03 2.708e-02 -8.497e-03 -8.732e-03 / CHEB/ 2.874e-02 -6.721e-02 -1.839e-02 5.840e-03 /

2810.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-2.7	-1.0	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-3.2	-1.2	-0.3

Chebyshev(coeffs=[[-1.90117,-1.96851,-0.356417,0.00972565],[7.4296,1.65067,0.0864257,-0.0835067],[0.247055,0.308331,0.160335,0.00101733],[-0.0152903,-0.034818,0.0452424,0.0225511],[-0.0538625,-0.0767639,-0.00325593,0.0135407],[-0.0250113,-0.0315744,-0.00897156,0.00342757]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.01
S298 (cal/mol*K) = -45.37
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(266); C2H4(115), C7H11(266); C5H7(210)+C2H4(115)(+M)=>C7H11(266)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.901e+00 -1.969e+00 -3.564e-01 9.726e-03 / CHEB/ 7.430e+00 1.651e+00 8.643e-02 -8.351e-02 / CHEB/ 2.471e-01 3.083e-01 1.603e-01 1.017e-03 / CHEB/ -1.529e-02 -3.482e-02 4.524e-02 2.255e-02 / CHEB/ -5.386e-02 -7.676e-02 -3.256e-03 1.354e-02 / CHEB/ -2.501e-02 -3.157e-02 -8.972e-03 3.428e-03 /

2811.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.5	-12.7	-7.4	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-28.7	-12.8	-7.4	-4.7

Chebyshev(coeffs=[[-21.3053,-0.227977,-0.14074,-0.0624804],[22.4431,0.108731,0.0661222,0.0283094],[0.0979679,0.0806046,0.0461179,0.0170422],[0.0557005,0.0323667,0.0186948,0.0070988],[-0.0127518,-0.0185656,-0.0084205,-0.000905422],[-0.0201926,-0.0187953,-0.0093919,-0.00211017]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.59
S298 (cal/mol*K) = -20.38
G298 (kcal/mol) = 77.66

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(28); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.131e+01 -2.280e-01 -1.407e-01 -6.248e-02 / CHEB/ 2.244e+01 1.087e-01 6.612e-02 2.831e-02 / CHEB/ 9.797e-02 8.060e-02 4.612e-02 1.704e-02 / CHEB/ 5.570e-02 3.237e-02 1.869e-02 7.099e-03 / CHEB/ -1.275e-02 -1.857e-02 -8.421e-03 -9.054e-04 / CHEB/ -2.019e-02 -1.880e-02 -9.392e-03 -2.110e-03 /

2812.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.8	-11.4	-6.8	-4.4
log₁₀(k(10 bar)/[mole,m,s])	-25.1	-11.5	-6.8	-4.5

Chebyshev(coeffs=[[-17.8305,-0.344223,-0.203647,-0.0824974],[19.1284,0.199527,0.115394,0.04397],[0.165104,0.102965,0.0555934,0.0175876],[0.114838,0.0313782,0.0171038,0.00560541],[-0.0120269,-0.0233492,-0.00894431,0.000814894],[-0.0386719,-0.0212248,-0.00935598,-0.000850527]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.74
S298 (cal/mol*K) = -30.47
G298 (kcal/mol) = 67.82

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(33); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.783e+01 -3.442e-01 -2.036e-01 -8.250e-02 / CHEB/ 1.913e+01 1.995e-01 1.154e-01 4.397e-02 / CHEB/ 1.651e-01 1.030e-01 5.559e-02 1.759e-02 / CHEB/ 1.148e-01 3.138e-02 1.710e-02 5.605e-03 / CHEB/ -1.203e-02 -2.335e-02 -8.944e-03 8.149e-04 / CHEB/ -3.867e-02 -2.122e-02 -9.356e-03 -8.505e-04 /

2813.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.2	-15.0	-8.7	-5.6
log₁₀(k(10 bar)/[mole,m,s])	-33.3	-15.0	-8.8	-5.6

Chebyshev(coeffs=[[-25.7073,-0.173066,-0.109467,-0.0510576],[25.8628,0.0737392,0.0461265,0.0209813],[0.149767,0.0664308,0.0394799,0.0160203],[0.077632,0.0286286,0.0171828,0.00714752],[-0.0117701,-0.0152226,-0.00759876,-0.00164471],[-0.0213648,-0.0161324,-0.00866351,-0.00260097]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.14
S298 (cal/mol*K) = -23.47
G298 (kcal/mol) = 89.13

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(32); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.571e+01 -1.731e-01 -1.095e-01 -5.106e-02 / CHEB/ 2.586e+01 7.374e-02 4.613e-02 2.098e-02 / CHEB/ 1.498e-01 6.643e-02 3.948e-02 1.602e-02 / CHEB/ 7.763e-02 2.863e-02 1.718e-02 7.148e-03 / CHEB/ -1.177e-02 -1.522e-02 -7.599e-03 -1.645e-03 / CHEB/ -2.136e-02 -1.613e-02 -8.664e-03 -2.601e-03 /

2814.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.0	-15.7	-9.4	-6.3
log₁₀(k(10 bar)/[mole,m,s])	-34.1	-15.7	-9.4	-6.3

Chebyshev(coeffs=[[-26.4062,-0.173922,-0.10997,-0.0512568],[25.8718,0.0749429,0.0468334,0.0212596],[0.21209,0.0655471,0.0389529,0.015805],[0.0568195,0.0292962,0.0175698,0.0072949],[-0.00434167,-0.0152555,-0.00761293,-0.00164533],[-0.0095208,-0.0165568,-0.00890714,-0.00269146]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.14
S298 (cal/mol*K) = -24.85
G298 (kcal/mol) = 89.54

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(34); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.641e+01 -1.739e-01 -1.100e-01 -5.126e-02 / CHEB/ 2.587e+01 7.494e-02 4.683e-02 2.126e-02 / CHEB/ 2.121e-01 6.555e-02 3.895e-02 1.580e-02 / CHEB/ 5.682e-02 2.930e-02 1.757e-02 7.295e-03 / CHEB/ -4.342e-03 -1.526e-02 -7.613e-03 -1.645e-03 / CHEB/ -9.521e-03 -1.656e-02 -8.907e-03 -2.691e-03 /

2815.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-7.2	-4.6	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-7.5	-4.7	-3.4

Chebyshev(coeffs=[[-8.4285,-1.15402,-0.457618,-0.0528135],[10.7727,0.924457,0.300228,-0.0199178],[0.264681,0.205129,0.104726,0.0256076],[0.0483685,-0.00268788,0.0121522,0.0129085],[-0.0364323,-0.0538616,-0.0115294,0.0068746],[-0.0233864,-0.0286286,-0.00722319,0.00259025]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.90
S298 (cal/mol*K) = -45.68
G298 (kcal/mol) = 19.51

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(267); C2H4(115), C7H11(267); C5H7(210)+C2H4(115)(+M)=>C7H11(267)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.428e+00 -1.154e+00 -4.576e-01 -5.281e-02 / CHEB/ 1.077e+01 9.245e-01 3.002e-01 -1.992e-02 / CHEB/ 2.647e-01 2.051e-01 1.047e-01 2.561e-02 / CHEB/ 4.837e-02 -2.688e-03 1.215e-02 1.291e-02 / CHEB/ -3.643e-02 -5.386e-02 -1.153e-02 6.875e-03 / CHEB/ -2.339e-02 -2.863e-02 -7.223e-03 2.590e-03 /

2816.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.0	-7.6	-5.0	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-7.9	-5.1	-3.8

Chebyshev(coeffs=[[-8.3805,-1.50099,-0.434896,-0.0293706],[10.1149,1.37551,0.241938,-0.0605416],[0.561823,0.102025,0.131037,0.031219],[-0.0515029,-0.0379971,0.0154709,0.0237212],[-0.0323376,-0.0386238,-0.0126731,0.00657126],[-0.0073253,-0.0155115,-0.00793463,-0.000188946]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.33
S298 (cal/mol*K) = -24.67
G298 (kcal/mol) = 25.68

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(65); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.381e+00 -1.501e+00 -4.349e-01 -2.937e-02 / CHEB/ 1.011e+01 1.376e+00 2.419e-01 -6.054e-02 / CHEB/ 5.618e-01 1.020e-01 1.310e-01 3.122e-02 / CHEB/ -5.150e-02 -3.800e-02 1.547e-02 2.372e-02 / CHEB/ -3.234e-02 -3.862e-02 -1.267e-02 6.571e-03 / CHEB/ -7.325e-03 -1.551e-02 -7.935e-03 -1.889e-04 /

2817.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.3	-18.5	-12.3	-9.2
log₁₀(k(10 bar)/[mole,m,s])	-37.5	-18.6	-12.3	-9.2

Chebyshev(coeffs=[[-29.8438,-0.165599,-0.105496,-0.0499148],[26.5967,0.0673991,0.0424454,0.0195795],[0.0761288,0.063464,0.0380572,0.0157726],[-0.0223653,0.0290071,0.0176587,0.007589],[-0.00288868,-0.013877,-0.00695186,-0.00152323],[0.0008079,-0.0155589,-0.0084892,-0.00268891]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.44
S298 (cal/mol*K) = -13.05
G298 (kcal/mol) = 88.33

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(31); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.984e+01 -1.656e-01 -1.055e-01 -4.991e-02 / CHEB/ 2.660e+01 6.740e-02 4.245e-02 1.958e-02 / CHEB/ 7.613e-02 6.346e-02 3.806e-02 1.577e-02 / CHEB/ -2.237e-02 2.901e-02 1.766e-02 7.589e-03 / CHEB/ -2.889e-03 -1.388e-02 -6.952e-03 -1.523e-03 / CHEB/ 8.079e-04 -1.556e-02 -8.489e-03 -2.689e-03 /

2818.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.3	-18.4	-12.1	-8.9
log₁₀(k(10 bar)/[mole,m,s])	-37.4	-18.4	-12.1	-8.9

Chebyshev(coeffs=[[-29.7287,-0.165599,-0.105496,-0.0499148],[26.7036,0.0673991,0.0424454,0.0195795],[0.0997273,0.063464,0.0380572,0.0157726],[-0.0154175,0.0290071,0.0176587,0.007589],[-0.000588263,-0.013877,-0.00695186,-0.00152323],[0.00161833,-0.0155589,-0.0084892,-0.00268891]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.44
S298 (cal/mol*K) = -11.67
G298 (kcal/mol) = 87.92

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(35); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.973e+01 -1.656e-01 -1.055e-01 -4.991e-02 / CHEB/ 2.670e+01 6.740e-02 4.245e-02 1.958e-02 / CHEB/ 9.973e-02 6.346e-02 3.806e-02 1.577e-02 / CHEB/ -1.542e-02 2.901e-02 1.766e-02 7.589e-03 / CHEB/ -5.883e-04 -1.388e-02 -6.952e-03 -1.523e-03 / CHEB/ 1.618e-03 -1.556e-02 -8.489e-03 -2.689e-03 /

2819.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-42.8	-21.6	-14.6	-11.0
log₁₀(k(10 bar)/[mole,m,s])	-42.9	-21.7	-14.6	-11.0

Chebyshev(coeffs=[[-35.0518,-0.1318,-0.0853507,-0.0416841],[29.9051,0.049537,0.0318255,0.0152845],[0.15234,0.052919,0.0326042,0.0143594],[-0.0194097,0.0253329,0.0157822,0.00712584],[-0.00125447,-0.0117071,-0.00629065,-0.00186606],[0.00652125,-0.0135633,-0.00776234,-0.0028384]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 94.99
S298 (cal/mol*K) = -14.76
G298 (kcal/mol) = 99.39

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(30); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.505e+01 -1.318e-01 -8.535e-02 -4.168e-02 / CHEB/ 2.991e+01 4.954e-02 3.183e-02 1.528e-02 / CHEB/ 1.523e-01 5.292e-02 3.260e-02 1.436e-02 / CHEB/ -1.941e-02 2.533e-02 1.578e-02 7.126e-03 / CHEB/ -1.254e-03 -1.171e-02 -6.291e-03 -1.866e-03 / CHEB/ 6.521e-03 -1.356e-02 -7.762e-03 -2.838e-03 /

2820.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-42.8	-21.6	-14.6	-11.0
log₁₀(k(10 bar)/[mole,m,s])	-42.9	-21.7	-14.6	-11.0

H298 (kcal/mol) = 94.99
S298 (cal/mol*K) = -14.76
G298 (kcal/mol) = 99.39

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(29); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.505e+01 -1.318e-01 -8.535e-02 -4.168e-02 / CHEB/ 2.991e+01 4.954e-02 3.183e-02 1.528e-02 / CHEB/ 1.523e-01 5.292e-02 3.260e-02 1.436e-02 / CHEB/ -1.941e-02 2.533e-02 1.578e-02 7.126e-03 / CHEB/ -1.254e-03 -1.171e-02 -6.291e-03 -1.866e-03 / CHEB/ 6.521e-03 -1.356e-02 -7.762e-03 -2.838e-03 /

2821.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-4.1	-2.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-4.5	-2.2	-1.3

Chebyshev(coeffs=[[-4.32016,-1.64845,-0.430076,-0.0217745],[8.85358,1.46633,0.20101,-0.0710554],[0.373575,0.13949,0.141372,0.0227282],[-0.121863,-0.0421516,0.0251312,0.0263991],[-0.0664314,-0.0441805,-0.0108705,0.0090351],[-0.0196575,-0.0157386,-0.00854853,0.000410547]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.29
S298 (cal/mol*K) = -47.71
G298 (kcal/mol) = 11.92

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(283); C2H4(115), C7H11(283); C5H7(210)+C2H4(115)(+M)=>C7H11(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.320e+00 -1.648e+00 -4.301e-01 -2.177e-02 / CHEB/ 8.854e+00 1.466e+00 2.010e-01 -7.106e-02 / CHEB/ 3.736e-01 1.395e-01 1.414e-01 2.273e-02 / CHEB/ -1.219e-01 -4.215e-02 2.513e-02 2.640e-02 / CHEB/ -6.643e-02 -4.418e-02 -1.087e-02 9.035e-03 / CHEB/ -1.966e-02 -1.574e-02 -8.549e-03 4.105e-04 /

2822.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-3.4	-2.1	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-4.0	-2.3	-1.8

Chebyshev(coeffs=[[-2.60894,-2.08548,-0.387239,-0.0104363],[7.02963,1.66163,0.0654944,-0.07541],[0.0591528,0.298149,0.146048,-0.00531219],[-0.179502,-0.0241933,0.0592283,0.0245213],[-0.100666,-0.0630361,0.00231853,0.0156353],[-0.0354381,-0.0245649,-0.00889238,0.00378922]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.50
S298 (cal/mol*K) = -44.31
G298 (kcal/mol) = 5.70

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(284); C2H4(115), C7H11(284); C5H7(210)+C2H4(115)(+M)=>C7H11(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.609e+00 -2.085e+00 -3.872e-01 -1.044e-02 / CHEB/ 7.030e+00 1.662e+00 6.549e-02 -7.541e-02 / CHEB/ 5.915e-02 2.981e-01 1.460e-01 -5.312e-03 / CHEB/ -1.795e-01 -2.419e-02 5.923e-02 2.452e-02 / CHEB/ -1.007e-01 -6.304e-02 2.319e-03 1.564e-02 / CHEB/ -3.544e-02 -2.456e-02 -8.892e-03 3.789e-03 /

2823.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-5.6	-2.9	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-5.9	-3.0	-1.7

Chebyshev(coeffs=[[-6.92328,-1.31832,-0.459948,-0.0437171],[10.8556,1.15891,0.289868,-0.0452332],[0.473996,0.117657,0.105232,0.0342334],[-0.0665603,-0.0225116,0.0130553,0.0188682],[-0.039354,-0.0369027,-0.0103113,0.00559324],[-0.0102188,-0.018269,-0.00643516,0.000503342]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.72
S298 (cal/mol*K) = -26.72
G298 (kcal/mol) = 23.68

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(285); C2H4(115), C7H11(285); C5H7(210)+C2H4(115)(+M)=>C7H11(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.923e+00 -1.318e+00 -4.599e-01 -4.372e-02 / CHEB/ 1.086e+01 1.159e+00 2.899e-01 -4.523e-02 / CHEB/ 4.740e-01 1.177e-01 1.052e-01 3.423e-02 / CHEB/ -6.656e-02 -2.251e-02 1.306e-02 1.887e-02 / CHEB/ -3.935e-02 -3.690e-02 -1.031e-02 5.593e-03 / CHEB/ -1.022e-02 -1.827e-02 -6.435e-03 5.033e-04 /

2824.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-5.8	-3.8	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-6.2	-3.9	-3.0

Chebyshev(coeffs=[[-5.80896,-1.7958,-0.408841,-0.0174267],[8.64651,1.58035,0.153166,-0.0726889],[0.347104,0.174619,0.152606,0.0137177],[-0.102979,-0.0490175,0.0350685,0.0282085],[-0.0546052,-0.0516339,-0.00934609,0.0113749],[-0.022106,-0.0158702,-0.00999991,0.00100165]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.15
S298 (cal/mol*K) = -25.13
G298 (kcal/mol) = 10.64

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(286); C2H4(115), C7H11(286); C5H7(210)+C2H4(115)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.809e+00 -1.796e+00 -4.088e-01 -1.743e-02 / CHEB/ 8.647e+00 1.580e+00 1.532e-01 -7.269e-02 / CHEB/ 3.471e-01 1.746e-01 1.526e-01 1.372e-02 / CHEB/ -1.030e-01 -4.902e-02 3.507e-02 2.821e-02 / CHEB/ -5.461e-02 -5.163e-02 -9.346e-03 1.137e-02 / CHEB/ -2.211e-02 -1.587e-02 -1.000e-02 1.002e-03 /

2825.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.1	-13.9	-9.9	-7.9
log₁₀(k(10 bar)/[mole,m,s])	-25.6	-14.1	-10.0	-7.9

Chebyshev(coeffs=[[-18.1544,-0.607267,-0.326905,-0.105293],[15.7388,0.457256,0.230957,0.0591326],[0.46339,0.114982,0.0601251,0.0181118],[0.0384137,0.0110554,0.00955416,0.00652727],[-0.0098346,-0.0241862,-0.00684567,0.00311849],[-0.00341804,-0.0185837,-0.00743103,3.79184e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.83
S298 (cal/mol*K) = -42.24
G298 (kcal/mol) = -5.24

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(287); C2H4(115), C7H11(287); C5H7(210)+C2H4(115)(+M)=>C7H11(287)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.815e+01 -6.073e-01 -3.269e-01 -1.053e-01 / CHEB/ 1.574e+01 4.573e-01 2.310e-01 5.913e-02 / CHEB/ 4.634e-01 1.150e-01 6.013e-02 1.811e-02 / CHEB/ 3.841e-02 1.106e-02 9.554e-03 6.527e-03 / CHEB/ -9.835e-03 -2.419e-02 -6.846e-03 3.118e-03 / CHEB/ -3.418e-03 -1.858e-02 -7.431e-03 3.792e-05 /

2826.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-45.9	-23.7	-16.1	-12.3
log₁₀(k(10 bar)/[mole,m,s])	-46.0	-23.7	-16.2	-12.4

Chebyshev(coeffs=[[-37.9326,-0.120531,-0.0784728,-0.0387171],[31.3187,0.0459944,0.0297481,0.0144767],[0.222808,0.049826,0.0310158,0.0139665],[0.048247,0.022719,0.0143006,0.00659763],[-0.00490546,-0.0112538,-0.00621061,-0.0020213],[-0.00783251,-0.0124123,-0.00722838,-0.00277094]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.84
S298 (cal/mol*K) = -21.47
G298 (kcal/mol) = 105.24

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(288); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.793e+01 -1.205e-01 -7.847e-02 -3.872e-02 / CHEB/ 3.132e+01 4.599e-02 2.975e-02 1.448e-02 / CHEB/ 2.228e-01 4.983e-02 3.102e-02 1.397e-02 / CHEB/ 4.825e-02 2.272e-02 1.430e-02 6.598e-03 / CHEB/ -4.905e-03 -1.125e-02 -6.211e-03 -2.021e-03 / CHEB/ -7.833e-03 -1.241e-02 -7.228e-03 -2.771e-03 /

2827.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.7	+6.3	+5.7	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+7.5	+7.2	+6.7	+6.3

Chebyshev(coeffs=[[12.2441,1.75377,-0.144479,-0.0572774],[-0.428368,0.125903,0.0701243,0.024097],[-0.32533,0.0847691,0.0474491,0.0165278],[-0.175579,0.0332603,0.019691,0.00799681],[-0.0399073,-0.0123966,-0.00435719,0.00106209],[-5.86282e-05,-0.0145049,-0.00696887,-0.00127401]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.18
S298 (cal/mol*K) = -38.53
G298 (kcal/mol) = -54.70

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(46); C2H4(72), C7H11(46); C5H7(210)+C2H4(72)(+M)=>C7H11(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.224e+01 1.754e+00 -1.445e-01 -5.728e-02 / CHEB/ -4.284e-01 1.259e-01 7.012e-02 2.410e-02 / CHEB/ -3.253e-01 8.477e-02 4.745e-02 1.653e-02 / CHEB/ -1.756e-01 3.326e-02 1.969e-02 7.997e-03 / CHEB/ -3.991e-02 -1.240e-02 -4.357e-03 1.062e-03 / CHEB/ -5.863e-05 -1.450e-02 -6.969e-03 -1.274e-03 /

2828.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+2.0	+1.8	+1.6
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+2.9	+2.7	+2.6

Chebyshev(coeffs=[[8.3139,1.68323,-0.189898,-0.0793432],[-0.68223,0.157063,0.091165,0.0351479],[-0.110207,0.082636,0.0452966,0.0148568],[0.0475431,0.0295851,0.0164403,0.00566892],[0.0118284,-0.0118556,-0.00418157,0.000977291],[-0.0342617,-0.0118165,-0.00503094,-0.000173638]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -91.93
S298 (cal/mol*K) = -63.52
G298 (kcal/mol) = -73.01

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(22); C2H4(72), C7H11(22); C5H7(210)+C2H4(72)(+M)=>C7H11(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.314e+00 1.683e+00 -1.899e-01 -7.934e-02 / CHEB/ -6.822e-01 1.571e-01 9.117e-02 3.515e-02 / CHEB/ -1.102e-01 8.264e-02 4.530e-02 1.486e-02 / CHEB/ 4.754e-02 2.959e-02 1.644e-02 5.669e-03 / CHEB/ 1.183e-02 -1.186e-02 -4.182e-03 9.773e-04 / CHEB/ -3.426e-02 -1.182e-02 -5.031e-03 -1.736e-04 /

2829.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.2	+3.0	+2.2	+1.3
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+3.6	+2.9	+2.2

Chebyshev(coeffs=[[8.54692,1.30101,-0.391487,-0.142229],[-0.591497,0.177851,0.104147,0.0412435],[-0.330518,0.141788,0.0686834,0.0164619],[-0.256377,0.133321,0.0643987,0.0146987],[-0.164842,0.0447578,0.024172,0.00756374],[-0.0658746,-0.00341768,0.000576964,0.00189244]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.08
S298 (cal/mol*K) = -53.43
G298 (kcal/mol) = -63.16

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(40); C2H4(72), C7H11(40); C5H7(210)+C2H4(72)(+M)=>C7H11(40)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.547e+00 1.301e+00 -3.915e-01 -1.422e-01 / CHEB/ -5.915e-01 1.779e-01 1.041e-01 4.124e-02 / CHEB/ -3.305e-01 1.418e-01 6.868e-02 1.646e-02 / CHEB/ -2.564e-01 1.333e-01 6.440e-02 1.470e-02 / CHEB/ -1.648e-01 4.476e-02 2.417e-02 7.564e-03 / CHEB/ -6.587e-02 -3.418e-03 5.770e-04 1.892e-03 /

2830.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+8.0	+8.0	+8.0	+8.0
log₁₀(k(10 bar)/[mole,m,s])	+7.8	+7.9	+8.0	+8.0

Chebyshev(coeffs=[[13.8519,-0.240526,-0.141474,-0.0564058],[0.0903034,0.129088,0.0721456,0.0250441],[0.042876,0.0823725,0.0465794,0.0166887],[0.0102996,0.030541,0.0183649,0.00773016],[-0.0148798,-0.0134395,-0.00509,0.000669651],[-0.0130492,-0.0144303,-0.00713109,-0.00152757]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.07
S298 (cal/mol*K) = -9.44
G298 (kcal/mol) = -62.26

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(210); C2H4(72), C2H4(115); C5H7(210)+C2H4(72)(+M)=>C5H7(210)+C2H4(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.385e+01 -2.405e-01 -1.415e-01 -5.641e-02 / CHEB/ 9.030e-02 1.291e-01 7.215e-02 2.504e-02 / CHEB/ 4.288e-02 8.237e-02 4.658e-02 1.669e-02 / CHEB/ 1.030e-02 3.054e-02 1.836e-02 7.730e-03 / CHEB/ -1.488e-02 -1.344e-02 -5.090e-03 6.697e-04 / CHEB/ -1.305e-02 -1.443e-02 -7.131e-03 -1.528e-03 /

2831.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+3.6	+3.6	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+4.5	+4.5	+4.6	+4.4

Chebyshev(coeffs=[[9.63326,1.71831,-0.1672,-0.0683266],[-0.286736,0.129437,0.0732808,0.026499],[0.119471,0.0735428,0.0395262,0.0121108],[0.0350363,0.0327654,0.0187444,0.00702241],[-0.0770122,-0.00902266,-0.00240669,0.00181651],[-0.0783121,-0.0115406,-0.00507902,-0.000395329]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.69
S298 (cal/mol*K) = -47.57
G298 (kcal/mol) = -56.52

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(269); C2H4(72), C7H11(269); C5H7(210)+C2H4(72)(+M)=>C7H11(269)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.633e+00 1.718e+00 -1.672e-01 -6.833e-02 / CHEB/ -2.867e-01 1.294e-01 7.328e-02 2.650e-02 / CHEB/ 1.195e-01 7.354e-02 3.953e-02 1.211e-02 / CHEB/ 3.504e-02 3.277e-02 1.874e-02 7.022e-03 / CHEB/ -7.701e-02 -9.023e-03 -2.407e-03 1.817e-03 / CHEB/ -7.831e-02 -1.154e-02 -5.079e-03 -3.953e-04 /

2832.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+4.0	+3.4	+2.8
log₁₀(k(10 bar)/[mole,m,s])	+4.8	+4.7	+4.3	+3.8

Chebyshev(coeffs=[[9.66812,1.46288,-0.305247,-0.113924],[-0.403105,0.156273,0.0889932,0.032078],[-0.201701,0.131499,0.067206,0.0188217],[-0.178917,0.0999856,0.0489633,0.0118102],[-0.112389,0.0228322,0.012412,0.004266],[-0.0393543,-0.0104756,-0.00348967,0.000666949]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -82.65
S298 (cal/mol*K) = -51.69
G298 (kcal/mol) = -67.25

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(268); C2H4(72), C7H11(268); C5H7(210)+C2H4(72)(+M)=>C7H11(268)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.668e+00 1.463e+00 -3.052e-01 -1.139e-01 / CHEB/ -4.031e-01 1.563e-01 8.899e-02 3.208e-02 / CHEB/ -2.017e-01 1.315e-01 6.721e-02 1.882e-02 / CHEB/ -1.789e-01 9.999e-02 4.896e-02 1.181e-02 / CHEB/ -1.124e-01 2.283e-02 1.241e-02 4.266e-03 / CHEB/ -3.935e-02 -1.048e-02 -3.490e-03 6.669e-04 /

2833.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.7	+5.7	+6.3	+6.7
log₁₀(k(10 bar)/[mole,m,s])	+4.5	+5.6	+6.3	+6.7

Chebyshev(coeffs=[[10.9759,-0.227239,-0.13392,-0.053994],[1.18989,0.133907,0.0751623,0.0266408],[0.441073,0.0739753,0.0427813,0.0163651],[0.119714,0.024157,0.0149283,0.00674934],[0.00811416,-0.0145348,-0.00626159,-0.00027602],[-0.0106993,-0.0132753,-0.00696267,-0.00196169]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.63
S298 (cal/mol*K) = -16.19
G298 (kcal/mol) = -27.80

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(146); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>C7H10(146)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.098e+01 -2.272e-01 -1.339e-01 -5.399e-02 / CHEB/ 1.190e+00 1.339e-01 7.516e-02 2.664e-02 / CHEB/ 4.411e-01 7.398e-02 4.278e-02 1.637e-02 / CHEB/ 1.197e-01 2.416e-02 1.493e-02 6.749e-03 / CHEB/ 8.114e-03 -1.453e-02 -6.262e-03 -2.760e-04 / CHEB/ -1.070e-02 -1.328e-02 -6.963e-03 -1.962e-03 /

2834.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+4.4	+3.9	+3.6
log₁₀(k(10 bar)/[mole,m,s])	+4.7	+4.7	+4.6	+4.5

Chebyshev(coeffs=[[9.79696,0.841878,-0.56152,-0.14698],[-0.0730791,0.530082,0.246988,0.0517865],[-0.136617,0.274071,0.125514,0.0292304],[-0.083774,0.17863,0.0740455,0.0106144],[-0.033222,0.0213505,0.0128058,0.00599879],[-0.0127156,-0.0324076,-0.0112126,0.00114374]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.83
S298 (cal/mol*K) = -36.81
G298 (kcal/mol) = -57.86

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(270); C2H4(72), C7H11(270); C5H7(210)+C2H4(72)(+M)=>C7H11(270)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.797e+00 8.419e-01 -5.615e-01 -1.470e-01 / CHEB/ -7.308e-02 5.301e-01 2.470e-01 5.179e-02 / CHEB/ -1.366e-01 2.741e-01 1.255e-01 2.923e-02 / CHEB/ -8.377e-02 1.786e-01 7.405e-02 1.061e-02 / CHEB/ -3.322e-02 2.135e-02 1.281e-02 5.999e-03 / CHEB/ -1.272e-02 -3.241e-02 -1.121e-02 1.144e-03 /

2835.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.8	+5.1	+4.9	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+4.7	+5.3	+5.5	+5.3

Chebyshev(coeffs=[[10.4818,0.417997,-0.350968,-0.0162022],[0.0643943,0.825422,0.00893244,-0.0308768],[0.0191471,0.297672,0.10638,-0.0175939],[-0.0621328,0.124927,0.0544892,0.00267562],[-0.0978996,0.0513053,0.0109059,0.00090835],[-0.0681245,0.0137985,0.00628546,-0.000463082]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.22
S298 (cal/mol*K) = -42.14
G298 (kcal/mol) = -77.67

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(271); C2H4(72), C7H11(271); C5H7(210)+C2H4(72)(+M)=>C7H11(271)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.048e+01 4.180e-01 -3.510e-01 -1.620e-02 / CHEB/ 6.439e-02 8.254e-01 8.932e-03 -3.088e-02 / CHEB/ 1.915e-02 2.977e-01 1.064e-01 -1.759e-02 / CHEB/ -6.213e-02 1.249e-01 5.449e-02 2.676e-03 / CHEB/ -9.790e-02 5.131e-02 1.091e-02 9.084e-04 / CHEB/ -6.812e-02 1.380e-02 6.285e-03 -4.631e-04 /

2836.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.7	+4.9	+4.4	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+5.3	+5.6	+5.3	+4.8

Chebyshev(coeffs=[[10.3916,1.41143,-0.329129,-0.116728],[-0.198575,0.319237,0.162615,0.0427475],[-0.0800594,0.119771,0.0727686,0.0302508],[-0.172463,0.0932156,0.0485231,0.0142107],[-0.134103,0.0139953,0.00981938,0.00541175],[-0.0544875,-0.0190611,-0.00758594,0.000285988]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.28
S298 (cal/mol*K) = -40.13
G298 (kcal/mol) = -46.32

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(272); C2H4(72), C7H11(272); C5H7(210)+C2H4(72)(+M)=>C7H11(272)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.039e+01 1.411e+00 -3.291e-01 -1.167e-01 / CHEB/ -1.986e-01 3.192e-01 1.626e-01 4.275e-02 / CHEB/ -8.006e-02 1.198e-01 7.277e-02 3.025e-02 / CHEB/ -1.725e-01 9.322e-02 4.852e-02 1.421e-02 / CHEB/ -1.341e-01 1.400e-02 9.819e-03 5.412e-03 / CHEB/ -5.449e-02 -1.906e-02 -7.586e-03 2.860e-04 /

2837.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+4.2	+3.7	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+4.7	+4.8	+4.5	+4.1

Chebyshev(coeffs=[[9.72331,1.36605,-0.338117,-0.112884],[-0.227889,0.284109,0.140785,0.0359837],[-0.0814215,0.119701,0.0655002,0.0240862],[-0.155804,0.101192,0.0476415,0.0113549],[-0.117755,0.0209524,0.0115897,0.00441453],[-0.0439474,-0.0149743,-0.00556213,0.000336866]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.48
S298 (cal/mol*K) = -41.23
G298 (kcal/mol) = -55.20

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(273); C2H4(72), C7H11(273); C5H7(210)+C2H4(72)(+M)=>C7H11(273)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.723e+00 1.366e+00 -3.381e-01 -1.129e-01 / CHEB/ -2.279e-01 2.841e-01 1.408e-01 3.598e-02 / CHEB/ -8.142e-02 1.197e-01 6.550e-02 2.409e-02 / CHEB/ -1.558e-01 1.012e-01 4.764e-02 1.135e-02 / CHEB/ -1.178e-01 2.095e-02 1.159e-02 4.415e-03 / CHEB/ -4.395e-02 -1.497e-02 -5.562e-03 3.369e-04 /

2838.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+4.4	+4.0	+3.3
log₁₀(k(10 bar)/[mole,m,s])	+4.4	+4.8	+4.6	+4.2

Chebyshev(coeffs=[[9.79675,0.672686,-0.478898,-0.0638212],[-0.193715,0.774623,0.146003,-0.0461817],[-0.0789551,0.223418,0.139106,0.0281646],[-0.116202,0.124616,0.0593257,0.0160624],[-0.126322,0.0465951,0.01791,0.00458784],[-0.0792975,-0.00584826,0.00407714,0.00426918]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.48
S298 (cal/mol*K) = -41.23
G298 (kcal/mol) = -55.20

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(274); C2H4(72), C7H11(274); C5H7(210)+C2H4(72)(+M)=>C7H11(274)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.797e+00 6.727e-01 -4.789e-01 -6.382e-02 / CHEB/ -1.937e-01 7.746e-01 1.460e-01 -4.618e-02 / CHEB/ -7.896e-02 2.234e-01 1.391e-01 2.816e-02 / CHEB/ -1.162e-01 1.246e-01 5.933e-02 1.606e-02 / CHEB/ -1.263e-01 4.660e-02 1.791e-02 4.588e-03 / CHEB/ -7.930e-02 -5.848e-03 4.077e-03 4.269e-03 /

2839.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+3.1	+3.8	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+2.7	+3.7	+4.3

Chebyshev(coeffs=[[8.14967,-1.2001,-0.18948,0.0380353],[1.5233,0.830518,-0.0141698,-0.0552108],[0.433128,0.285826,0.127832,-0.0150476],[0.146754,0.0472613,0.0417914,0.00789774],[0.0469558,-0.013654,-0.0108677,0.000413399],[0.00437015,-0.0156171,-0.00541512,-0.00099504]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.08
S298 (cal/mol*K) = -40.55
G298 (kcal/mol) = -44.00

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(275); C2H4(72), C7H11(275); C5H7(210)+C2H4(72)(+M)=>C7H11(275)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.150e+00 -1.200e+00 -1.895e-01 3.804e-02 / CHEB/ 1.523e+00 8.305e-01 -1.417e-02 -5.521e-02 / CHEB/ 4.331e-01 2.858e-01 1.278e-01 -1.505e-02 / CHEB/ 1.468e-01 4.726e-02 4.179e-02 7.898e-03 / CHEB/ 4.696e-02 -1.365e-02 -1.087e-02 4.134e-04 / CHEB/ 4.370e-03 -1.562e-02 -5.415e-03 -9.950e-04 /

2840.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-1.7	+1.4	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-1.7	+1.4	+3.0

Chebyshev(coeffs=[[-3.12705,-0.105029,-0.0682846,-0.0336001],[11.6477,0.0547179,0.0349542,0.0166127],[0.411508,0.0396518,0.0253613,0.0120756],[0.0986193,0.0152456,0.00990412,0.00486861],[-0.00405953,-0.00815174,-0.00465085,-0.00167649],[-0.0164091,-0.00805327,-0.00489944,-0.00209285]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.14
S298 (cal/mol*K) = 2.97
G298 (kcal/mol) = 33.26

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H5(99); C2H4(72), C3H6(276); C5H7(210)+C2H4(72)(+M)=>C3H6(276)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.127e+00 -1.050e-01 -6.828e-02 -3.360e-02 / CHEB/ 1.165e+01 5.472e-02 3.495e-02 1.661e-02 / CHEB/ 4.115e-01 3.965e-02 2.536e-02 1.208e-02 / CHEB/ 9.862e-02 1.525e-02 9.904e-03 4.869e-03 / CHEB/ -4.060e-03 -8.152e-03 -4.651e-03 -1.676e-03 / CHEB/ -1.641e-02 -8.053e-03 -4.899e-03 -2.093e-03 /

2841.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	-0.0	+2.3	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-4.9	-0.1	+2.3	+3.7

Chebyshev(coeffs=[[2.132,-0.161837,-0.0989914,-0.0444642],[6.47341,0.0922233,0.0547066,0.0236006],[0.788648,0.0503988,0.0309754,0.0134179],[0.215577,0.0184637,0.0112734,0.00498075],[0.0822312,-0.00966919,-0.00541832,-0.00170006],[0.0111306,-0.0091091,-0.00541422,-0.00219061]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.88
S298 (cal/mol*K) = -11.31
G298 (kcal/mol) = 14.25

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(18); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>C7H10(18)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.132e+00 -1.618e-01 -9.899e-02 -4.446e-02 / CHEB/ 6.473e+00 9.222e-02 5.471e-02 2.360e-02 / CHEB/ 7.886e-01 5.040e-02 3.098e-02 1.342e-02 / CHEB/ 2.156e-01 1.846e-02 1.127e-02 4.981e-03 / CHEB/ 8.223e-02 -9.669e-03 -5.418e-03 -1.700e-03 / CHEB/ 1.113e-02 -9.109e-03 -5.414e-03 -2.191e-03 /

2842.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-0.1	+2.1	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.2	+2.1	+3.3

Chebyshev(coeffs=[[1.93589,-0.162766,-0.101076,-0.0454634],[6.34786,0.0988747,0.0592321,0.0245822],[0.911684,0.0517405,0.0319614,0.0141607],[0.145135,0.0176043,0.0112996,0.00544105],[-0.0308311,-0.0113579,-0.00580153,-0.00140854],[-0.0237196,-0.0101153,-0.00582527,-0.00217561]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.31
S298 (cal/mol*K) = -15.15
G298 (kcal/mol) = 14.82

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(89); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.936e+00 -1.628e-01 -1.011e-01 -4.546e-02 / CHEB/ 6.348e+00 9.887e-02 5.923e-02 2.458e-02 / CHEB/ 9.117e-01 5.174e-02 3.196e-02 1.416e-02 / CHEB/ 1.451e-01 1.760e-02 1.130e-02 5.441e-03 / CHEB/ -3.083e-02 -1.136e-02 -5.802e-03 -1.409e-03 / CHEB/ -2.372e-02 -1.012e-02 -5.825e-03 -2.176e-03 /

2843.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-5.0	-1.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-5.0	-1.1	+0.9

Chebyshev(coeffs=[[-8.39321,-0.152488,-0.0997785,-0.0497033],[14.691,0.0890118,0.0570327,0.0272781],[0.459116,0.0400171,0.0266243,0.0136569],[0.111282,0.0270739,0.0173401,0.00828851],[0.00872745,-0.00356664,-0.00179334,-0.000385255],[-0.0108896,-0.0105074,-0.00651312,-0.00290154]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.82
S298 (cal/mol*K) = -9.30
G298 (kcal/mol) = 45.59

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(95); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.393e+00 -1.525e-01 -9.978e-02 -4.970e-02 / CHEB/ 1.469e+01 8.901e-02 5.703e-02 2.728e-02 / CHEB/ 4.591e-01 4.002e-02 2.662e-02 1.366e-02 / CHEB/ 1.113e-01 2.707e-02 1.734e-02 8.289e-03 / CHEB/ 8.727e-03 -3.567e-03 -1.793e-03 -3.853e-04 / CHEB/ -1.089e-02 -1.051e-02 -6.513e-03 -2.902e-03 /

2844.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-3.4	+0.9	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-3.4	+0.9	+3.0

Chebyshev(coeffs=[[-8.05453,-0.0794251,-0.0525529,-0.0267216],[16.6569,0.0383246,0.0250621,0.0124654],[0.346088,0.0317242,0.0206746,0.0102141],[0.0975127,0.0130733,0.008606,0.00433447],[0.00476617,-0.00633524,-0.00379409,-0.00155755],[-0.0114838,-0.00667876,-0.00418945,-0.00191495]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.97
S298 (cal/mol*K) = 6.71
G298 (kcal/mol) = 48.97

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(277); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C5H8(277)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.055e+00 -7.943e-02 -5.255e-02 -2.672e-02 / CHEB/ 1.666e+01 3.832e-02 2.506e-02 1.247e-02 / CHEB/ 3.461e-01 3.172e-02 2.067e-02 1.021e-02 / CHEB/ 9.751e-02 1.307e-02 8.606e-03 4.334e-03 / CHEB/ 4.766e-03 -6.335e-03 -3.794e-03 -1.558e-03 / CHEB/ -1.148e-02 -6.679e-03 -4.189e-03 -1.915e-03 /

2845.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-3.0	+0.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-3.1	+0.5	+2.4

Chebyshev(coeffs=[[-4.89991,-0.108963,-0.0704159,-0.0343187],[12.4731,0.0573302,0.036265,0.0169783],[0.660439,0.0402934,0.0257526,0.0122252],[0.170156,0.0157352,0.0101446,0.00492223],[0.0190415,-0.00815541,-0.00463049,-0.00164574],[-0.00838595,-0.00817255,-0.00494469,-0.00208833]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.62
S298 (cal/mol*K) = -10.40
G298 (kcal/mol) = 36.71

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(96); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.900e+00 -1.090e-01 -7.042e-02 -3.432e-02 / CHEB/ 1.247e+01 5.733e-02 3.627e-02 1.698e-02 / CHEB/ 6.604e-01 4.029e-02 2.575e-02 1.223e-02 / CHEB/ 1.702e-01 1.574e-02 1.014e-02 4.922e-03 / CHEB/ 1.904e-02 -8.155e-03 -4.630e-03 -1.646e-03 / CHEB/ -8.386e-03 -8.173e-03 -4.945e-03 -2.088e-03 /

2846.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-3.0	+0.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-3.1	+0.5	+2.4

Chebyshev(coeffs=[[-4.89144,-0.116762,-0.0729882,-0.0337538],[12.4658,0.0655712,0.0382491,0.0156302],[0.658046,0.0403731,0.0267397,0.0131367],[0.169926,0.0155758,0.00997555,0.00492058],[0.0196101,-0.00829156,-0.00478684,-0.00179305],[-0.00811195,-0.00831983,-0.00498218,-0.00206862]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.62
S298 (cal/mol*K) = -10.40
G298 (kcal/mol) = 36.71

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(97); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.891e+00 -1.168e-01 -7.299e-02 -3.375e-02 / CHEB/ 1.247e+01 6.557e-02 3.825e-02 1.563e-02 / CHEB/ 6.580e-01 4.037e-02 2.674e-02 1.314e-02 / CHEB/ 1.699e-01 1.558e-02 9.976e-03 4.921e-03 / CHEB/ 1.961e-02 -8.292e-03 -4.787e-03 -1.793e-03 / CHEB/ -8.112e-03 -8.320e-03 -4.982e-03 -2.069e-03 /

2847.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-5.1	-0.9	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-5.2	-1.0	+1.3

Chebyshev(coeffs=[[-8.91145,-0.0891884,-0.0586633,-0.0295006],[15.4286,0.0442043,0.0286946,0.0140707],[0.580354,0.034969,0.0226303,0.0110283],[0.16041,0.0140715,0.0092052,0.00458327],[0.0219175,-0.00704494,-0.00414522,-0.00162609],[-0.0063185,-0.00725781,-0.00449763,-0.00200232]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.02
S298 (cal/mol*K) = -9.72
G298 (kcal/mol) = 47.91

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(37); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.911e+00 -8.919e-02 -5.866e-02 -2.950e-02 / CHEB/ 1.543e+01 4.420e-02 2.869e-02 1.407e-02 / CHEB/ 5.804e-01 3.497e-02 2.263e-02 1.103e-02 / CHEB/ 1.604e-01 1.407e-02 9.205e-03 4.583e-03 / CHEB/ 2.192e-02 -7.045e-03 -4.145e-03 -1.626e-03 / CHEB/ -6.318e-03 -7.258e-03 -4.498e-03 -2.002e-03 /

2848.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+4.5	+3.9	+3.3
log₁₀(k(10 bar)/[mole,m,s])	+4.9	+5.0	+4.7	+4.2

Chebyshev(coeffs=[[10.0366,1.10003,-0.42025,-0.0950341],[-0.381502,0.428606,0.161338,0.00707726],[-0.161233,0.159992,0.0880419,0.0248411],[-0.151049,0.108483,0.046598,0.00845793],[-0.127441,0.0400297,0.0151473,0.00140882],[-0.0679209,0.00124483,0.00233226,0.00165253]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -77.40
S298 (cal/mol*K) = -44.42
G298 (kcal/mol) = -64.17

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(278); C2H4(72), C7H11(278); C5H7(210)+C2H4(72)(+M)=>C7H11(278)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.004e+01 1.100e+00 -4.202e-01 -9.503e-02 / CHEB/ -3.815e-01 4.286e-01 1.613e-01 7.077e-03 / CHEB/ -1.612e-01 1.600e-01 8.804e-02 2.484e-02 / CHEB/ -1.510e-01 1.085e-01 4.660e-02 8.458e-03 / CHEB/ -1.274e-01 4.003e-02 1.515e-02 1.409e-03 / CHEB/ -6.792e-02 1.245e-03 2.332e-03 1.653e-03 /

2849.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+4.3	+4.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+3.8	+4.7	+5.3

Chebyshev(coeffs=[[9.26333,-1.1643,-0.170306,0.0420989],[1.48157,0.730892,-0.0617521,-0.063944],[0.390764,0.280609,0.120935,-0.0208268],[0.111367,0.0545131,0.0446436,0.0082137],[0.0273635,-0.00528063,-0.00785606,0.00041086],[-0.00347124,-0.00691756,-0.00236979,-0.00134221]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.12
S298 (cal/mol*K) = -39.36
G298 (kcal/mol) = -57.39

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(279); C2H4(72), C7H11(279); C5H7(210)+C2H4(72)(+M)=>C7H11(279)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.263e+00 -1.164e+00 -1.703e-01 4.210e-02 / CHEB/ 1.482e+00 7.309e-01 -6.175e-02 -6.394e-02 / CHEB/ 3.908e-01 2.806e-01 1.209e-01 -2.083e-02 / CHEB/ 1.114e-01 5.451e-02 4.464e-02 8.214e-03 / CHEB/ 2.736e-02 -5.281e-03 -7.856e-03 4.109e-04 / CHEB/ -3.471e-03 -6.918e-03 -2.370e-03 -1.342e-03 /

2850.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+3.1	+2.9	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+3.9	+3.9	+3.6

Chebyshev(coeffs=[[8.53894,1.53721,-0.271832,-0.108633],[0.237275,0.224652,0.125234,0.0432587],[0.0639254,0.111056,0.0627323,0.0228571],[-0.106552,0.0749226,0.0415361,0.0144206],[-0.0880443,0.0024286,0.00419105,0.00424131],[-0.0270731,-0.0189912,-0.00859303,-0.00109723]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.98
S298 (cal/mol*K) = -43.33
G298 (kcal/mol) = -41.07

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(280); C2H4(72), C7H11(280); C5H7(210)+C2H4(72)(+M)=>C7H11(280)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.539e+00 1.537e+00 -2.718e-01 -1.086e-01 / CHEB/ 2.373e-01 2.247e-01 1.252e-01 4.326e-02 / CHEB/ 6.393e-02 1.111e-01 6.273e-02 2.286e-02 / CHEB/ -1.066e-01 7.492e-02 4.154e-02 1.442e-02 / CHEB/ -8.804e-02 2.429e-03 4.191e-03 4.241e-03 / CHEB/ -2.707e-02 -1.899e-02 -8.593e-03 -1.097e-03 /

2851.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-3.2	+0.6	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-3.2	+0.6	+2.6

Chebyshev(coeffs=[[-6.11877,-0.0946659,-0.0620184,-0.0309576],[14.061,0.0477553,0.0308294,0.014958],[0.522578,0.0366435,0.0236169,0.011417],[0.139605,0.0145163,0.00947121,0.00469289],[0.0130901,-0.00743392,-0.00432756,-0.00165013],[-0.00981716,-0.00754662,-0.00464619,-0.00203886]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.31
S298 (cal/mol*K) = -1.31
G298 (kcal/mol) = 32.70

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(281); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>C6H9(281)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.119e+00 -9.467e-02 -6.202e-02 -3.096e-02 / CHEB/ 1.406e+01 4.776e-02 3.083e-02 1.496e-02 / CHEB/ 5.226e-01 3.664e-02 2.362e-02 1.142e-02 / CHEB/ 1.396e-01 1.452e-02 9.471e-03 4.693e-03 / CHEB/ 1.309e-02 -7.434e-03 -4.328e-03 -1.650e-03 / CHEB/ -9.817e-03 -7.547e-03 -4.646e-03 -2.039e-03 /

2852.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-6.6	-2.4	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-6.6	-2.4	-0.2

Chebyshev(coeffs=[[-10.1917,-0.0900383,-0.0591773,-0.0297173],[15.2149,0.0453591,0.0294091,0.0143882],[0.612038,0.0350734,0.0226946,0.0110565],[0.172271,0.0139403,0.0091225,0.0045452],[0.02961,-0.00719515,-0.00423296,-0.00166001],[-0.00424273,-0.00729045,-0.00451813,-0.00201179]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.02
S298 (cal/mol*K) = -12.34
G298 (kcal/mol) = 47.69

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(282); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(282)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.019e+01 -9.004e-02 -5.918e-02 -2.972e-02 / CHEB/ 1.521e+01 4.536e-02 2.941e-02 1.439e-02 / CHEB/ 6.120e-01 3.507e-02 2.269e-02 1.106e-02 / CHEB/ 1.723e-01 1.394e-02 9.122e-03 4.545e-03 / CHEB/ 2.961e-02 -7.195e-03 -4.233e-03 -1.660e-03 / CHEB/ -4.243e-03 -7.290e-03 -4.518e-03 -2.012e-03 /

2853.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	-0.1	+0.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-1.0	-0.2	+0.3	+0.5

Chebyshev(coeffs=[[5.28684,-0.306401,-0.181045,-0.073686],[0.882055,0.18025,0.104174,0.0399451],[0.272335,0.0835117,0.0457751,0.0153827],[0.0646592,0.0259228,0.0141309,0.00479511],[-0.0105046,-0.0144955,-0.00590657,4.73769e-05],[-0.0165799,-0.0133497,-0.00606771,-0.000845515]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.71
S298 (cal/mol*K) = -53.97
G298 (kcal/mol) = -32.63

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(1); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.287e+00 -3.064e-01 -1.810e-01 -7.369e-02 / CHEB/ 8.821e-01 1.802e-01 1.042e-01 3.995e-02 / CHEB/ 2.723e-01 8.351e-02 4.578e-02 1.538e-02 / CHEB/ 6.466e-02 2.592e-02 1.413e-02 4.795e-03 / CHEB/ -1.050e-02 -1.450e-02 -5.907e-03 4.738e-05 / CHEB/ -1.658e-02 -1.335e-02 -6.068e-03 -8.455e-04 /

2854.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	-0.6	+0.6	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-3.0	-0.7	+0.6	+1.4

Chebyshev(coeffs=[[3.87295,-0.259884,-0.157724,-0.0676443],[2.5713,0.17294,0.101889,0.0407757],[0.781652,0.0626716,0.0365215,0.0141273],[0.177054,0.0165666,0.0101874,0.00449933],[0.0086951,-0.014469,-0.00652122,-0.000654703],[-0.0165239,-0.0113355,-0.00591302,-0.00159974]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.87
S298 (cal/mol*K) = -33.33
G298 (kcal/mol) = -9.94

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(264); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(264)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.873e+00 -2.599e-01 -1.577e-01 -6.764e-02 / CHEB/ 2.571e+00 1.729e-01 1.019e-01 4.078e-02 / CHEB/ 7.817e-01 6.267e-02 3.652e-02 1.413e-02 / CHEB/ 1.771e-01 1.657e-02 1.019e-02 4.499e-03 / CHEB/ 8.695e-03 -1.447e-02 -6.521e-03 -6.547e-04 / CHEB/ -1.652e-02 -1.134e-02 -5.913e-03 -1.600e-03 /

2855.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+0.3	+1.1	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+0.1	+1.1	+1.8

Chebyshev(coeffs=[[5.67287,-0.537446,-0.299511,-0.107256],[1.27336,0.353434,0.203418,0.0781423],[0.501874,0.160253,0.0799783,0.0208525],[0.225741,0.0637639,0.0270573,0.00195894],[0.0646534,-0.0290835,-0.0149522,-0.00477985],[0.00204052,-0.041377,-0.0184735,-0.00271435]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.53
S298 (cal/mol*K) = -56.52
G298 (kcal/mol) = -51.69

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(265); C2H4(72), C7H11(265); C5H7(210)+C2H4(72)(+M)=>C7H11(265)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.673e+00 -5.374e-01 -2.995e-01 -1.073e-01 / CHEB/ 1.273e+00 3.534e-01 2.034e-01 7.814e-02 / CHEB/ 5.019e-01 1.603e-01 7.998e-02 2.085e-02 / CHEB/ 2.257e-01 6.376e-02 2.706e-02 1.959e-03 / CHEB/ 6.465e-02 -2.908e-02 -1.495e-02 -4.780e-03 / CHEB/ 2.041e-03 -4.138e-02 -1.847e-02 -2.714e-03 /

2856.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+2.5	+2.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+1.8	+2.3	+2.6	+2.7

Chebyshev(coeffs=[[7.9536,-0.312293,-0.184084,-0.0745686],[0.591569,0.177486,0.102522,0.0392345],[0.15086,0.0853857,0.0463738,0.0152115],[0.0173419,0.0276503,0.0147761,0.00475751],[-0.0274629,-0.0139108,-0.00559527,0.0001412],[-0.0223514,-0.0133466,-0.00593651,-0.000695709]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.08
S298 (cal/mol*K) = -54.81
G298 (kcal/mol) = -62.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(266); C2H4(72), C7H11(266); C5H7(210)+C2H4(72)(+M)=>C7H11(266)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.954e+00 -3.123e-01 -1.841e-01 -7.457e-02 / CHEB/ 5.916e-01 1.775e-01 1.025e-01 3.923e-02 / CHEB/ 1.509e-01 8.539e-02 4.637e-02 1.521e-02 / CHEB/ 1.734e-02 2.765e-02 1.478e-02 4.758e-03 / CHEB/ -2.746e-02 -1.391e-02 -5.595e-03 1.412e-04 / CHEB/ -2.235e-02 -1.335e-02 -5.937e-03 -6.957e-04 /

2857.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-3.9	-1.9	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-4.0	-1.9	-0.8

Chebyshev(coeffs=[[-1.07004,-0.22428,-0.135119,-0.0575017],[5.20491,0.138755,0.0819981,0.0332739],[0.922102,0.0635663,0.0359085,0.0132251],[0.178624,0.0194019,0.0114675,0.00468409],[0.000268323,-0.0131298,-0.0059881,-0.000881072],[-0.0196101,-0.011774,-0.00606886,-0.00168272]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.52
S298 (cal/mol*K) = -29.82
G298 (kcal/mol) = 15.40

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(28); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.070e+00 -2.243e-01 -1.351e-01 -5.750e-02 / CHEB/ 5.205e+00 1.388e-01 8.200e-02 3.327e-02 / CHEB/ 9.221e-01 6.357e-02 3.591e-02 1.323e-02 / CHEB/ 1.786e-01 1.940e-02 1.147e-02 4.684e-03 / CHEB/ 2.683e-04 -1.313e-02 -5.988e-03 -8.811e-04 / CHEB/ -1.961e-02 -1.177e-02 -6.069e-03 -1.683e-03 /

2858.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-3.4	-1.8	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-3.5	-1.8	-0.9

Chebyshev(coeffs=[[0.532832,-0.34281,-0.193193,-0.0709532],[3.4689,0.255334,0.139909,0.0472042],[0.932017,0.0733351,0.0387668,0.0123412],[0.197348,0.0165452,0.00894291,0.00296354],[0.00414645,-0.020501,-0.00819533,-0.000193243],[-0.019793,-0.0152224,-0.00688957,-0.0010813]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.33
S298 (cal/mol*K) = -39.91
G298 (kcal/mol) = 5.56

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(33); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.328e-01 -3.428e-01 -1.932e-01 -7.095e-02 / CHEB/ 3.469e+00 2.553e-01 1.399e-01 4.720e-02 / CHEB/ 9.320e-01 7.334e-02 3.877e-02 1.234e-02 / CHEB/ 1.973e-01 1.655e-02 8.943e-03 2.964e-03 / CHEB/ 4.146e-03 -2.050e-02 -8.195e-03 -1.932e-04 / CHEB/ -1.979e-02 -1.522e-02 -6.890e-03 -1.081e-03 /

2859.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-5.7	-3.0	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-5.8	-3.0	-1.5

Chebyshev(coeffs=[[-4.49499,-0.164557,-0.104069,-0.0485518],[7.80883,0.095442,0.0589597,0.0261818],[0.922576,0.0503812,0.0309404,0.0135248],[0.220259,0.015843,0.0100418,0.00471011],[0.0104579,-0.0111585,-0.00584676,-0.00158064],[-0.0172207,-0.00968068,-0.00555864,-0.00205516]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.07
S298 (cal/mol*K) = -32.91
G298 (kcal/mol) = 26.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(32); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.495e+00 -1.646e-01 -1.041e-01 -4.855e-02 / CHEB/ 7.809e+00 9.544e-02 5.896e-02 2.618e-02 / CHEB/ 9.226e-01 5.038e-02 3.094e-02 1.352e-02 / CHEB/ 2.203e-01 1.584e-02 1.004e-02 4.710e-03 / CHEB/ 1.046e-02 -1.116e-02 -5.847e-03 -1.581e-03 / CHEB/ -1.722e-02 -9.681e-03 -5.559e-03 -2.055e-03 /

2860.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-6.4	-3.7	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-6.5	-3.7	-2.2

Chebyshev(coeffs=[[-5.22506,-0.165029,-0.104342,-0.048656],[7.869,0.0959286,0.0592401,0.0262874],[0.945716,0.0503473,0.0309154,0.0135097],[0.2253,0.0158392,0.0100394,0.00470909],[0.0123299,-0.0111529,-0.00583928,-0.00157364],[-0.0164347,-0.00969442,-0.00556533,-0.00205643]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.07
S298 (cal/mol*K) = -34.29
G298 (kcal/mol) = 27.28

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(34); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.225e+00 -1.650e-01 -1.043e-01 -4.866e-02 / CHEB/ 7.869e+00 9.593e-02 5.924e-02 2.629e-02 / CHEB/ 9.457e-01 5.035e-02 3.092e-02 1.351e-02 / CHEB/ 2.253e-01 1.584e-02 1.004e-02 4.709e-03 / CHEB/ 1.233e-02 -1.115e-02 -5.839e-03 -1.574e-03 / CHEB/ -1.643e-02 -9.694e-03 -5.565e-03 -2.056e-03 /

2861.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	-0.7	+0.0	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-2.0	-0.8	-0.0	+0.5

Chebyshev(coeffs=[[4.4823,-0.349763,-0.202329,-0.0788084],[1.36722,0.148727,0.0860217,0.0330003],[0.457124,0.0994303,0.0502395,0.0133297],[0.121657,0.0441761,0.0213692,0.00471711],[0.0164922,-0.00600968,-0.00155872,0.000879287],[-0.00269992,-0.0119448,-0.00424654,0.000474805]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.18
S298 (cal/mol*K) = -55.13
G298 (kcal/mol) = -42.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(267); C2H4(72), C7H11(267); C5H7(210)+C2H4(72)(+M)=>C7H11(267)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.482e+00 -3.498e-01 -2.023e-01 -7.881e-02 / CHEB/ 1.367e+00 1.487e-01 8.602e-02 3.300e-02 / CHEB/ 4.571e-01 9.943e-02 5.024e-02 1.333e-02 / CHEB/ 1.217e-01 4.418e-02 2.137e-02 4.717e-03 / CHEB/ 1.649e-02 -6.010e-03 -1.559e-03 8.793e-04 / CHEB/ -2.700e-03 -1.194e-02 -4.247e-03 4.748e-04 /

2862.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+2.8	+2.7	+2.5
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+2.4	+2.5	+2.4

Chebyshev(coeffs=[[8.12288,-0.643335,-0.363351,-0.134631],[0.377959,0.232278,0.131399,0.0484121],[-0.00236793,0.14798,0.0729467,0.0184866],[-0.0156536,0.119404,0.0599362,0.0156156],[-0.0318318,0.0307578,0.0192743,0.00811184],[-0.0284718,-0.0108422,-0.00235061,0.00191749]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -46.75
S298 (cal/mol*K) = -34.11
G298 (kcal/mol) = -36.58

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(65); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.123e+00 -6.433e-01 -3.634e-01 -1.346e-01 / CHEB/ 3.780e-01 2.323e-01 1.314e-01 4.841e-02 / CHEB/ -2.368e-03 1.480e-01 7.295e-02 1.849e-02 / CHEB/ -1.565e-02 1.194e-01 5.994e-02 1.562e-02 / CHEB/ -3.183e-02 3.076e-02 1.927e-02 8.112e-03 / CHEB/ -2.847e-02 -1.084e-02 -2.351e-03 1.917e-03 /

2863.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-5.5	-3.4	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-5.7	-3.5	-2.3

Chebyshev(coeffs=[[-4.36452,-0.383928,-0.224117,-0.0891336],[7.43307,0.169058,0.0929121,0.0315275],[0.519745,0.105801,0.055846,0.016999],[0.125832,0.0628276,0.0373548,0.0153518],[-0.00766163,0.00413997,0.00698902,0.00657955],[-0.0221319,-0.0134489,-0.00546938,-0.000108322]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.37
S298 (cal/mol*K) = -22.49
G298 (kcal/mol) = 26.07

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(31); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.365e+00 -3.839e-01 -2.241e-01 -8.913e-02 / CHEB/ 7.433e+00 1.691e-01 9.291e-02 3.153e-02 / CHEB/ 5.197e-01 1.058e-01 5.585e-02 1.700e-02 / CHEB/ 1.258e-01 6.283e-02 3.735e-02 1.535e-02 / CHEB/ -7.662e-03 4.140e-03 6.989e-03 6.580e-03 / CHEB/ -2.213e-02 -1.345e-02 -5.469e-03 -1.083e-04 /

2864.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-5.4	-3.2	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-5.5	-3.2	-2.1

Chebyshev(coeffs=[[-4.2494,-0.383928,-0.224117,-0.0891336],[7.53993,0.169058,0.0929121,0.0315275],[0.543344,0.105801,0.055846,0.016999],[0.13278,0.0628276,0.0373548,0.0153518],[-0.00536121,0.00413997,0.00698902,0.00657955],[-0.0213215,-0.0134489,-0.00546938,-0.000108322]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.37
S298 (cal/mol*K) = -21.11
G298 (kcal/mol) = 25.66

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(35); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.249e+00 -3.839e-01 -2.241e-01 -8.913e-02 / CHEB/ 7.540e+00 1.691e-01 9.291e-02 3.153e-02 / CHEB/ 5.433e-01 1.058e-01 5.585e-02 1.700e-02 / CHEB/ 1.328e-01 6.283e-02 3.735e-02 1.535e-02 / CHEB/ -5.361e-03 4.140e-03 6.989e-03 6.580e-03 / CHEB/ -2.132e-02 -1.345e-02 -5.469e-03 -1.083e-04 /

2865.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-8.3	-5.5	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-8.5	-5.6	-4.0

Chebyshev(coeffs=[[-9.07173,-0.314688,-0.18729,-0.0773936],[10.4183,0.129682,0.072161,0.0249681],[0.4884,0.0938217,0.0512772,0.017122],[0.14296,0.0529698,0.0325164,0.0143225],[0.00311026,0.00215753,0.00515874,0.00549846],[-0.0176059,-0.0117946,-0.00518623,-0.000516911]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.92
S298 (cal/mol*K) = -24.20
G298 (kcal/mol) = 37.13

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(30); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.072e+00 -3.147e-01 -1.873e-01 -7.739e-02 / CHEB/ 1.042e+01 1.297e-01 7.216e-02 2.497e-02 / CHEB/ 4.884e-01 9.382e-02 5.128e-02 1.712e-02 / CHEB/ 1.430e-01 5.297e-02 3.252e-02 1.432e-02 / CHEB/ 3.110e-03 2.158e-03 5.159e-03 5.498e-03 / CHEB/ -1.761e-02 -1.179e-02 -5.186e-03 -5.169e-04 /

2866.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-8.3	-5.5	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-8.5	-5.6	-4.0

H298 (kcal/mol) = 29.92
S298 (cal/mol*K) = -24.20
G298 (kcal/mol) = 37.13

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(29); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.072e+00 -3.147e-01 -1.873e-01 -7.739e-02 / CHEB/ 1.042e+01 1.297e-01 7.216e-02 2.497e-02 / CHEB/ 4.884e-01 9.382e-02 5.128e-02 1.712e-02 / CHEB/ 1.430e-01 5.297e-02 3.252e-02 1.432e-02 / CHEB/ 3.110e-03 2.158e-03 5.159e-03 5.498e-03 / CHEB/ -1.761e-02 -1.179e-02 -5.186e-03 -5.169e-04 /

2867.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+0.3	-0.3	-1.0
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+0.8	+0.5	-0.1

Chebyshev(coeffs=[[5.89941,1.31697,-0.383056,-0.139605],[-0.465027,0.19658,0.11401,0.044352],[-0.190917,0.147642,0.0722616,0.0179793],[-0.103943,0.132286,0.0646475,0.01542],[-0.129139,0.0421164,0.0234072,0.00783673],[-0.0959411,-0.00528002,-0.000143778,0.00189373]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.37
S298 (cal/mol*K) = -57.15
G298 (kcal/mol) = -50.34

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(283); C2H4(72), C7H11(283); C5H7(210)+C2H4(72)(+M)=>C7H11(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.899e+00 1.317e+00 -3.831e-01 -1.396e-01 / CHEB/ -4.650e-01 1.966e-01 1.140e-01 4.435e-02 / CHEB/ -1.909e-01 1.476e-01 7.226e-02 1.798e-02 / CHEB/ -1.039e-01 1.323e-01 6.465e-02 1.542e-02 / CHEB/ -1.291e-01 4.212e-02 2.341e-02 7.837e-03 / CHEB/ -9.594e-02 -5.280e-03 -1.438e-04 1.894e-03 /

2868.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+2.1	+1.3	+0.7
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+2.7	+2.1	+1.6

Chebyshev(coeffs=[[7.94554,1.37025,-0.353373,-0.128732],[-0.715876,0.19961,0.114293,0.0427087],[-0.454626,0.148122,0.0737984,0.0194274],[-0.130373,0.119537,0.0575727,0.012883],[-0.039206,0.0324283,0.0175401,0.00548886],[-0.0218093,-0.00943014,-0.00256593,0.00104608]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.58
S298 (cal/mol*K) = -53.75
G298 (kcal/mol) = -56.56

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(284); C2H4(72), C7H11(284); C5H7(210)+C2H4(72)(+M)=>C7H11(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.946e+00 1.370e+00 -3.534e-01 -1.287e-01 / CHEB/ -7.159e-01 1.996e-01 1.143e-01 4.271e-02 / CHEB/ -4.546e-01 1.481e-01 7.380e-02 1.943e-02 / CHEB/ -1.304e-01 1.195e-01 5.757e-02 1.288e-02 / CHEB/ -3.921e-02 3.243e-02 1.754e-02 5.489e-03 / CHEB/ -2.181e-02 -9.430e-03 -2.566e-03 1.046e-03 /

2869.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+3.7	+3.0	+2.3
log₁₀(k(10 bar)/[mole,m,s])	+4.3	+4.2	+3.7	+3.2

Chebyshev(coeffs=[[9.07039,0.965539,-0.570074,-0.1969],[-0.238757,0.374731,0.200772,0.0627582],[-0.370357,0.261058,0.124374,0.0263062],[-0.181893,0.159625,0.0797896,0.0205129],[-0.0623127,0.0174365,0.0166887,0.0113952],[-0.029778,-0.0240948,-0.00680349,0.00285972]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.35
S298 (cal/mol*K) = -36.16
G298 (kcal/mol) = -38.58

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(285); C2H4(72), C7H11(285); C5H7(210)+C2H4(72)(+M)=>C7H11(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.070e+00 9.655e-01 -5.701e-01 -1.969e-01 / CHEB/ -2.388e-01 3.747e-01 2.008e-01 6.276e-02 / CHEB/ -3.704e-01 2.611e-01 1.244e-01 2.631e-02 / CHEB/ -1.819e-01 1.596e-01 7.979e-02 2.051e-02 / CHEB/ -6.231e-02 1.744e-02 1.669e-02 1.140e-02 / CHEB/ -2.978e-02 -2.409e-02 -6.803e-03 2.860e-03 /

2870.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+3.9	+3.9	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+3.5	+3.7	+3.9

Chebyshev(coeffs=[[9.54252,-0.691445,-0.370004,-0.134218],[0.198739,0.19827,0.115586,0.0528765],[0.0235821,0.148608,0.0697614,0.0182327],[0.0694177,0.134931,0.062466,0.0137467],[0.0442519,0.0488111,0.022898,0.0059555],[0.0217568,0.00402736,0.00113285,-0.000112087]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.92
S298 (cal/mol*K) = -34.57
G298 (kcal/mol) = -51.62

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(286); C2H4(72), C7H11(286); C5H7(210)+C2H4(72)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.543e+00 -6.914e-01 -3.700e-01 -1.342e-01 / CHEB/ 1.987e-01 1.983e-01 1.156e-01 5.288e-02 / CHEB/ 2.358e-02 1.486e-01 6.976e-02 1.823e-02 / CHEB/ 6.942e-02 1.349e-01 6.247e-02 1.375e-02 / CHEB/ 4.425e-02 4.881e-02 2.290e-02 5.956e-03 / CHEB/ 2.176e-02 4.027e-03 1.133e-03 -1.121e-04 /

2871.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	-2.3	-1.6	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-4.1	-2.6	-1.8	-1.4

Chebyshev(coeffs=[[2.39946,-0.589839,-0.335618,-0.126546],[1.72903,0.261956,0.146383,0.0524679],[0.425996,0.135978,0.0677532,0.0177247],[0.0868335,0.0999242,0.0522101,0.0153948],[-0.0116866,0.0184534,0.0144033,0.00811824],[-0.023175,-0.0147788,-0.00437624,0.00150976]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -82.90
S298 (cal/mol*K) = -51.69
G298 (kcal/mol) = -67.50

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(287); C2H4(72), C7H11(287); C5H7(210)+C2H4(72)(+M)=>C7H11(287)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.399e+00 -5.898e-01 -3.356e-01 -1.265e-01 / CHEB/ 1.729e+00 2.620e-01 1.464e-01 5.247e-02 / CHEB/ 4.260e-01 1.360e-01 6.775e-02 1.772e-02 / CHEB/ 8.683e-02 9.992e-02 5.221e-02 1.539e-02 / CHEB/ -1.169e-02 1.845e-02 1.440e-02 8.118e-03 / CHEB/ -2.318e-02 -1.478e-02 -4.376e-03 1.510e-03 /

2872.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.8	-10.3	-7.0	-5.3
log₁₀(k(10 bar)/[mole,m,s])	-19.0	-10.4	-7.1	-5.3

Chebyshev(coeffs=[[-11.7915,-0.286295,-0.172162,-0.0726585],[11.7657,0.120457,0.0679178,0.0242771],[0.561536,0.0869518,0.0484259,0.0169687],[0.165511,0.0474884,0.0296348,0.0134974],[0.0120677,0.000543938,0.00384658,0.0047373],[-0.0137609,-0.0113287,-0.00524351,-0.000804192]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.77
S298 (cal/mol*K) = -30.91
G298 (kcal/mol) = 42.98

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(288); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.179e+01 -2.863e-01 -1.722e-01 -7.266e-02 / CHEB/ 1.177e+01 1.205e-01 6.792e-02 2.428e-02 / CHEB/ 5.615e-01 8.695e-02 4.843e-02 1.697e-02 / CHEB/ 1.655e-01 4.749e-02 2.963e-02 1.350e-02 / CHEB/ 1.207e-02 5.439e-04 3.847e-03 4.737e-03 / CHEB/ -1.376e-02 -1.133e-02 -5.244e-03 -8.042e-04 /

2873.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+5.6	+5.1	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+6.5	+6.5	+6.1	+5.7

Chebyshev(coeffs=[[11.2279,1.81112,-0.110106,-0.0484978],[0.0352974,0.0900965,0.0495217,0.0219769],[-0.315113,0.0634093,0.0375833,0.0146676],[-0.174181,0.0262857,0.0154623,0.00654466],[-0.0384077,-0.00977665,-0.00492885,-0.000874616],[0.000538622,-0.0111684,-0.00628769,-0.00219462]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -77.06
S298 (cal/mol*K) = -27.22
G298 (kcal/mol) = -68.95

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(46); H(25), C7H11(46); C7H10(18)+H(25)(+M)=>C7H11(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.123e+01 1.811e+00 -1.101e-01 -4.850e-02 / CHEB/ 3.530e-02 9.010e-02 4.952e-02 2.198e-02 / CHEB/ -3.151e-01 6.341e-02 3.758e-02 1.467e-02 / CHEB/ -1.742e-01 2.629e-02 1.546e-02 6.545e-03 / CHEB/ -3.841e-02 -9.777e-03 -4.929e-03 -8.746e-04 / CHEB/ 5.386e-04 -1.117e-02 -6.288e-03 -2.195e-03 /

2874.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+0.9	+0.9	+0.8
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+1.9	+1.8	+1.8

Chebyshev(coeffs=[[7.01321,1.78301,-0.128391,-0.0579421],[-0.183659,0.100077,0.0564739,0.0259708],[-0.0660948,0.061991,0.0363328,0.0137182],[0.0662671,0.0250411,0.0142916,0.00574185],[0.019289,-0.00973094,-0.00490356,-0.000778639],[-0.0326851,-0.0104851,-0.00571627,-0.00173578]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -102.81
S298 (cal/mol*K) = -52.21
G298 (kcal/mol) = -87.25

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(22); H(25), C7H11(22); C7H10(18)+H(25)(+M)=>C7H11(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.013e+00 1.783e+00 -1.284e-01 -5.794e-02 / CHEB/ -1.837e-01 1.001e-01 5.647e-02 2.597e-02 / CHEB/ -6.609e-02 6.199e-02 3.633e-02 1.372e-02 / CHEB/ 6.627e-02 2.504e-02 1.429e-02 5.742e-03 / CHEB/ 1.929e-02 -9.731e-03 -4.904e-03 -7.786e-04 / CHEB/ -3.269e-02 -1.049e-02 -5.716e-03 -1.736e-03 /

2875.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	-2.1	-2.3	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-2.1	-1.2	-1.3	-1.8

Chebyshev(coeffs=[[3.0619,1.78031,-0.130793,-0.0594943],[0.606013,0.104616,0.0595915,0.0275631],[-0.0390186,0.0613558,0.0360982,0.01378],[-0.184151,0.0256586,0.0148964,0.00617348],[-0.148844,-0.00913052,-0.00450313,-0.000612348],[-0.0558847,-0.010438,-0.00575561,-0.00184508]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -89.96
S298 (cal/mol*K) = -42.12
G298 (kcal/mol) = -77.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(40); H(25), C7H11(40); C7H10(18)+H(25)(+M)=>C7H11(40)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.062e+00 1.780e+00 -1.308e-01 -5.949e-02 / CHEB/ 6.060e-01 1.046e-01 5.959e-02 2.756e-02 / CHEB/ -3.902e-02 6.136e-02 3.610e-02 1.378e-02 / CHEB/ -1.842e-01 2.566e-02 1.490e-02 6.173e-03 / CHEB/ -1.488e-01 -9.131e-03 -4.503e-03 -6.123e-04 / CHEB/ -5.588e-02 -1.044e-02 -5.756e-03 -1.845e-03 /

2876.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.1	+7.5	+7.5	+7.6
log₁₀(k(10 bar)/[mole,m,s])	+7.0	+7.4	+7.5	+7.5

Chebyshev(coeffs=[[13.0375,-0.18538,-0.10832,-0.0478086],[0.498621,0.0919631,0.0507402,0.022485],[0.0277904,0.0621973,0.0369888,0.0145571],[0.00269866,0.0248877,0.014726,0.00626241],[-0.0158024,-0.0101968,-0.00521951,-0.00108823],[-0.0129822,-0.0110075,-0.006248,-0.00226465]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -75.95
S298 (cal/mol*K) = 1.87
G298 (kcal/mol) = -76.51

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(210); H(25), C2H4(115); C7H10(18)+H(25)(+M)=>C5H7(210)+C2H4(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.304e+01 -1.854e-01 -1.083e-01 -4.781e-02 / CHEB/ 4.986e-01 9.196e-02 5.074e-02 2.249e-02 / CHEB/ 2.779e-02 6.220e-02 3.699e-02 1.456e-02 / CHEB/ 2.699e-03 2.489e-02 1.473e-02 6.262e-03 / CHEB/ -1.580e-02 -1.020e-02 -5.220e-03 -1.088e-03 / CHEB/ -1.298e-02 -1.101e-02 -6.248e-03 -2.265e-03 /

2877.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+2.8	+2.9	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+3.7	+3.8	+3.6

Chebyshev(coeffs=[[8.49463,1.79593,-0.120207,-0.0538451],[0.161172,0.0930929,0.0516807,0.0232803],[0.117177,0.059035,0.0344872,0.0128949],[0.0239083,0.0264494,0.0154555,0.00647698],[-0.085682,-0.00814274,-0.00380878,-0.000234654],[-0.0843558,-0.00979198,-0.0053083,-0.00160995]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -81.57
S298 (cal/mol*K) = -36.26
G298 (kcal/mol) = -70.76

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(269); H(25), C7H11(269); C7H10(18)+H(25)(+M)=>C7H11(269)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.495e+00 1.796e+00 -1.202e-01 -5.385e-02 / CHEB/ 1.612e-01 9.309e-02 5.168e-02 2.328e-02 / CHEB/ 1.172e-01 5.904e-02 3.449e-02 1.289e-02 / CHEB/ 2.391e-02 2.645e-02 1.546e-02 6.477e-03 / CHEB/ -8.568e-02 -8.143e-03 -3.809e-03 -2.347e-04 / CHEB/ -8.436e-02 -9.792e-03 -5.308e-03 -1.610e-03 /

2878.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+4.7	+4.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+4.5	+4.6	+4.5	+4.4

Chebyshev(coeffs=[[10.4178,-0.186649,-0.108972,-0.0480642],[0.143266,0.0914048,0.0503501,0.0223152],[-0.0960136,0.0626956,0.0372304,0.0146005],[-0.0303876,0.0253655,0.0149716,0.00635084],[-0.0217041,-0.0101041,-0.00515015,-0.00103015],[-0.0144788,-0.011105,-0.00628638,-0.00225421]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -93.53
S298 (cal/mol*K) = -40.38
G298 (kcal/mol) = -81.50

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(268); H(25), C7H11(268); C7H10(18)+H(25)(+M)=>C7H11(268)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.042e+01 -1.866e-01 -1.090e-01 -4.806e-02 / CHEB/ 1.433e-01 9.140e-02 5.035e-02 2.232e-02 / CHEB/ -9.601e-02 6.270e-02 3.723e-02 1.460e-02 / CHEB/ -3.039e-02 2.537e-02 1.497e-02 6.351e-03 / CHEB/ -2.170e-02 -1.010e-02 -5.150e-03 -1.030e-03 / CHEB/ -1.448e-02 -1.111e-02 -6.286e-03 -2.254e-03 /

2879.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.9	+6.1	+6.7	+7.1
log₁₀(k(10 bar)/[mole,m,s])	+4.4	+5.7	+6.5	+7.0

Chebyshev(coeffs=[[11.1674,-0.650308,-0.112316,0.0178667],[1.36281,0.344394,-0.0631647,-0.0395286],[0.354591,0.150946,0.0736166,-0.020749],[0.104245,0.0633583,0.0357246,0.00380821],[0.014591,0.00718322,0.00247225,0.00363602],[-0.008045,-0.00371403,0.00213727,0.00272656]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.50
S298 (cal/mol*K) = -4.88
G298 (kcal/mol) = -42.05

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(146); H(25), H(25); C7H10(18)+H(25)(+M)=>C7H10(146)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.117e+01 -6.503e-01 -1.123e-01 1.787e-02 / CHEB/ 1.363e+00 3.444e-01 -6.316e-02 -3.953e-02 / CHEB/ 3.546e-01 1.509e-01 7.362e-02 -2.075e-02 / CHEB/ 1.042e-01 6.336e-02 3.572e-02 3.808e-03 / CHEB/ 1.459e-02 7.183e-03 2.472e-03 3.636e-03 / CHEB/ -8.045e-03 -3.714e-03 2.137e-03 2.727e-03 /

2880.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.1	+6.3	+5.8	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+5.9	+6.5	+6.5	+6.3

Chebyshev(coeffs=[[11.315,0.453649,-0.487969,-0.0316385],[0.382361,0.916848,0.13576,-0.0590583],[-0.231188,0.270448,0.140783,0.00593842],[-0.155773,0.121941,0.0617526,0.0149305],[-0.0314937,0.0439861,0.0180143,0.00765401],[-0.00351297,-0.000435881,0.00552166,0.00409917]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.71
S298 (cal/mol*K) = -25.50
G298 (kcal/mol) = -72.11

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(270); H(25), C7H11(270); C7H10(18)+H(25)(+M)=>C7H11(270)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.131e+01 4.536e-01 -4.880e-01 -3.164e-02 / CHEB/ 3.824e-01 9.168e-01 1.358e-01 -5.906e-02 / CHEB/ -2.312e-01 2.704e-01 1.408e-01 5.938e-03 / CHEB/ -1.558e-01 1.219e-01 6.175e-02 1.493e-02 / CHEB/ -3.149e-02 4.399e-02 1.801e-02 7.654e-03 / CHEB/ -3.513e-03 -4.359e-04 5.522e-03 4.099e-03 /

2881.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.8	+7.7	+7.2	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+7.9	+8.1	+7.9	+7.4

Chebyshev(coeffs=[[13.3567,0.823752,-0.275935,0.0327751],[-0.408582,0.631748,0.00642077,-0.0764188],[-0.198158,0.156711,0.0718522,-0.0148689],[-0.143995,0.0892389,0.0338558,0.00125328],[-0.115872,0.0684884,0.0197793,0.000319611],[-0.0668821,0.0272473,0.0152648,0.00283007]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -101.10
S298 (cal/mol*K) = -30.83
G298 (kcal/mol) = -91.91

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(271); H(25), C7H11(271); C7H10(18)+H(25)(+M)=>C7H11(271)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.336e+01 8.238e-01 -2.759e-01 3.278e-02 / CHEB/ -4.086e-01 6.317e-01 6.421e-03 -7.642e-02 / CHEB/ -1.982e-01 1.567e-01 7.185e-02 -1.487e-02 / CHEB/ -1.440e-01 8.924e-02 3.386e-02 1.253e-03 / CHEB/ -1.159e-01 6.849e-02 1.978e-02 3.196e-04 / CHEB/ -6.688e-02 2.725e-02 1.526e-02 2.830e-03 /

2882.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.1	+3.7	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+4.5	+5.0	+4.7	+4.2

Chebyshev(coeffs=[[9.50942,1.58455,-0.24381,-0.102377],[0.142287,0.221237,0.122454,0.0468111],[-0.120328,0.0806654,0.0517426,0.0241145],[-0.195788,0.0699427,0.0391226,0.01419],[-0.138759,0.00831339,0.00558908,0.00327041],[-0.0509829,-0.0160795,-0.00853116,-0.00236341]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.16
S298 (cal/mol*K) = -28.82
G298 (kcal/mol) = -60.57

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(272); H(25), C7H11(272); C7H10(18)+H(25)(+M)=>C7H11(272)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.509e+00 1.585e+00 -2.438e-01 -1.024e-01 / CHEB/ 1.423e-01 2.212e-01 1.225e-01 4.681e-02 / CHEB/ -1.203e-01 8.067e-02 5.174e-02 2.411e-02 / CHEB/ -1.958e-01 6.994e-02 3.912e-02 1.419e-02 / CHEB/ -1.388e-01 8.313e-03 5.589e-03 3.270e-03 / CHEB/ -5.098e-02 -1.608e-02 -8.531e-03 -2.363e-03 /

2883.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.4	+6.9	+7.0	+7.1
log₁₀(k(10 bar)/[mole,m,s])	+5.4	+6.3	+6.8	+7.0

Chebyshev(coeffs=[[12.0906,-1.26343,-0.325324,0.0400139],[0.725071,0.709968,-0.00335591,-0.128845],[0.114901,0.28,0.150777,0.0049705],[0.0494591,0.111678,0.0665062,0.0235766],[0.0115799,0.027729,0.0124856,0.00814746],[-0.0106465,-0.0027026,0.00512587,0.00476832]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -78.36
S298 (cal/mol*K) = -29.92
G298 (kcal/mol) = -69.44

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(273); H(25), C7H11(273); C7H10(18)+H(25)(+M)=>C7H11(273)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.209e+01 -1.263e+00 -3.253e-01 4.001e-02 / CHEB/ 7.251e-01 7.100e-01 -3.356e-03 -1.288e-01 / CHEB/ 1.149e-01 2.800e-01 1.508e-01 4.970e-03 / CHEB/ 4.946e-02 1.117e-01 6.651e-02 2.358e-02 / CHEB/ 1.158e-02 2.773e-02 1.249e-02 8.147e-03 / CHEB/ -1.065e-02 -2.703e-03 5.126e-03 4.768e-03 /

2884.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+5.2	+5.4	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+4.1	+4.9	+5.3	+5.5

Chebyshev(coeffs=[[10.5133,-0.645115,-0.170619,-0.033705],[0.791625,0.332737,-0.0079358,-0.00465299],[0.139853,0.126862,0.0658614,-0.00282146],[0.047827,0.071286,0.0379162,0.00521349],[6.419e-05,0.0130966,0.00504331,0.00191305],[-0.0139408,-0.00586619,-0.00158549,-0.000692342]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -78.36
S298 (cal/mol*K) = -29.92
G298 (kcal/mol) = -69.44

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(274); H(25), C7H11(274); C7H10(18)+H(25)(+M)=>C7H11(274)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.051e+01 -6.451e-01 -1.706e-01 -3.370e-02 / CHEB/ 7.916e-01 3.327e-01 -7.936e-03 -4.653e-03 / CHEB/ 1.399e-01 1.269e-01 6.586e-02 -2.821e-03 / CHEB/ 4.783e-02 7.129e-02 3.792e-02 5.213e-03 / CHEB/ 6.419e-05 1.310e-02 5.043e-03 1.913e-03 / CHEB/ -1.394e-02 -5.866e-03 -1.585e-03 -6.923e-04 /

2885.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.5	+6.0	+6.2	+6.3
log₁₀(k(10 bar)/[mole,m,s])	+4.7	+5.5	+6.0	+6.2

Chebyshev(coeffs=[[11.2768,-1.0914,-0.266257,0.0254747],[0.785059,0.708029,0.0365135,-0.0787027],[0.0828784,0.154165,0.0889129,-0.00523982],[0.0406926,0.0652452,0.0374964,0.0101536],[0.0329911,0.0485543,0.0182829,0.00505625],[0.00555891,0.0150901,0.012234,0.00474104]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.96
S298 (cal/mol*K) = -29.24
G298 (kcal/mol) = -58.25

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(275); H(25), C7H11(275); C7H10(18)+H(25)(+M)=>C7H11(275)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.128e+01 -1.091e+00 -2.663e-01 2.547e-02 / CHEB/ 7.851e-01 7.080e-01 3.651e-02 -7.870e-02 / CHEB/ 8.288e-02 1.542e-01 8.891e-02 -5.240e-03 / CHEB/ 4.069e-02 6.525e-02 3.750e-02 1.015e-02 / CHEB/ 3.299e-02 4.855e-02 1.828e-02 5.056e-03 / CHEB/ 5.559e-03 1.509e-02 1.223e-02 4.741e-03 /

2886.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+4.9	+6.1	+6.8
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+4.8	+6.1	+6.8

Chebyshev(coeffs=[[9.15761,-0.159837,-0.0952521,-0.0428753],[2.86219,0.093409,0.0528994,0.0234504],[0.679471,0.0490464,0.0300763,0.0125758],[0.110505,0.0175926,0.0109207,0.00480917],[-0.0088263,-0.00994526,-0.00546829,-0.00168654],[-0.0171979,-0.00894362,-0.00531485,-0.00217595]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.88
S298 (cal/mol*K) = 11.31
G298 (kcal/mol) = -14.25

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(210); H(25), C2H4(72); C7H10(18)+H(25)(+M)=>C5H7(210)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.158e+00 -1.598e-01 -9.525e-02 -4.288e-02 / CHEB/ 2.862e+00 9.341e-02 5.290e-02 2.345e-02 / CHEB/ 6.795e-01 4.905e-02 3.008e-02 1.258e-02 / CHEB/ 1.105e-01 1.759e-02 1.092e-02 4.809e-03 / CHEB/ -8.826e-03 -9.945e-03 -5.468e-03 -1.687e-03 / CHEB/ -1.720e-02 -8.944e-03 -5.315e-03 -2.176e-03 /

2887.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-0.8	+1.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-0.8	+1.8	+3.1

Chebyshev(coeffs=[[-0.472414,-0.107327,-0.0667074,-0.0313245],[8.97434,0.0575302,0.0340623,0.0154519],[0.560113,0.0375762,0.02402,0.0109365],[0.110268,0.0141215,0.00905307,0.0043611],[-0.00784164,-0.00735456,-0.00443762,-0.00178256],[-0.0178291,-0.00701489,-0.00431849,-0.00193994]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.26
S298 (cal/mol*K) = 14.28
G298 (kcal/mol) = 19.01

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H5(99); H(25), C3H6(276); C7H10(18)+H(25)(+M)=>C3H6(276)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.724e-01 -1.073e-01 -6.671e-02 -3.132e-02 / CHEB/ 8.974e+00 5.753e-02 3.406e-02 1.545e-02 / CHEB/ 5.601e-01 3.758e-02 2.402e-02 1.094e-02 / CHEB/ 1.103e-01 1.412e-02 9.053e-03 4.361e-03 / CHEB/ -7.842e-03 -7.355e-03 -4.438e-03 -1.783e-03 / CHEB/ -1.783e-02 -7.015e-03 -4.318e-03 -1.940e-03 /

2888.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+0.6	+2.5	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+0.4	+2.4	+3.5

Chebyshev(coeffs=[[3.58095,-0.326102,-0.0943319,-0.0174627],[4.8396,0.190809,0.00489349,-0.00313039],[0.958493,0.0919657,0.0531093,-0.00191216],[0.14521,0.0233359,0.0189898,0.00798426],[-0.0143386,-0.0140405,-0.00683886,0.00173428],[-0.0176188,-0.00931267,-0.00364697,-0.000465867]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.57
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = 0.58

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(89); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.581e+00 -3.261e-01 -9.433e-02 -1.746e-02 / CHEB/ 4.840e+00 1.908e-01 4.893e-03 -3.130e-03 / CHEB/ 9.585e-01 9.197e-02 5.311e-02 -1.912e-03 / CHEB/ 1.452e-01 2.334e-02 1.899e-02 7.984e-03 / CHEB/ -1.434e-02 -1.404e-02 -6.839e-03 1.734e-03 / CHEB/ -1.762e-02 -9.313e-03 -3.647e-03 -4.659e-04 /

2889.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-4.0	-0.7	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-4.1	-0.7	+1.1

Chebyshev(coeffs=[[-5.50627,-0.152067,-0.0967235,-0.0464874],[11.8375,0.0901936,0.0557829,0.0259274],[0.593196,0.0358157,0.0236647,0.0116745],[0.138108,0.0237617,0.0149687,0.00697565],[0.0146596,-0.00351057,-0.00210951,-0.000822476],[-0.00766216,-0.00876724,-0.00553005,-0.00259738]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.94
S298 (cal/mol*K) = 2.01
G298 (kcal/mol) = 31.34

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(95); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.506e+00 -1.521e-01 -9.672e-02 -4.649e-02 / CHEB/ 1.184e+01 9.019e-02 5.578e-02 2.593e-02 / CHEB/ 5.932e-01 3.582e-02 2.366e-02 1.167e-02 / CHEB/ 1.381e-01 2.376e-02 1.497e-02 6.976e-03 / CHEB/ 1.466e-02 -3.511e-03 -2.110e-03 -8.225e-04 / CHEB/ -7.662e-03 -8.767e-03 -5.530e-03 -2.597e-03 /

2890.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-2.2	+1.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-2.3	+1.4	+3.3

Chebyshev(coeffs=[[-4.93785,-0.0822362,-0.0525839,-0.0254021],[13.6371,0.0410009,0.0252241,0.0115399],[0.443075,0.0307796,0.0200713,0.00977634],[0.115139,0.0121707,0.00790064,0.00391105],[0.00456795,-0.00581607,-0.00365874,-0.00166598],[-0.0126806,-0.00591725,-0.00372031,-0.00172866]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.09
S298 (cal/mol*K) = 18.02
G298 (kcal/mol) = 34.72

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(277); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C5H8(277)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.938e+00 -8.224e-02 -5.258e-02 -2.540e-02 / CHEB/ 1.364e+01 4.100e-02 2.522e-02 1.154e-02 / CHEB/ 4.431e-01 3.078e-02 2.007e-02 9.776e-03 / CHEB/ 1.151e-01 1.217e-02 7.901e-03 3.911e-03 / CHEB/ 4.568e-03 -5.816e-03 -3.659e-03 -1.666e-03 / CHEB/ -1.268e-02 -5.917e-03 -3.720e-03 -1.729e-03 /

2891.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.2	+0.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-2.2	+0.9	+2.5

Chebyshev(coeffs=[[-2.28431,-0.108881,-0.06757,-0.0316926],[9.82772,0.0586207,0.0346448,0.0157236],[0.811598,0.0379301,0.0242174,0.0109841],[0.181254,0.0142187,0.0091085,0.00437607],[0.0151886,-0.00743994,-0.00447805,-0.00178355],[-0.00968279,-0.00707214,-0.00434821,-0.00194858]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.74
S298 (cal/mol*K) = 0.91
G298 (kcal/mol) = 22.47

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(96); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.284e+00 -1.089e-01 -6.757e-02 -3.169e-02 / CHEB/ 9.828e+00 5.862e-02 3.464e-02 1.572e-02 / CHEB/ 8.116e-01 3.793e-02 2.422e-02 1.098e-02 / CHEB/ 1.813e-01 1.422e-02 9.108e-03 4.376e-03 / CHEB/ 1.519e-02 -7.440e-03 -4.478e-03 -1.784e-03 / CHEB/ -9.683e-03 -7.072e-03 -4.348e-03 -1.949e-03 /

2892.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.2	+0.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-2.2	+0.9	+2.5

H298 (kcal/mol) = 22.74
S298 (cal/mol*K) = 0.91
G298 (kcal/mol) = 22.47

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(97); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.284e+00 -1.089e-01 -6.757e-02 -3.169e-02 / CHEB/ 9.828e+00 5.862e-02 3.464e-02 1.572e-02 / CHEB/ 8.116e-01 3.793e-02 2.422e-02 1.098e-02 / CHEB/ 1.813e-01 1.422e-02 9.108e-03 4.376e-03 / CHEB/ 1.519e-02 -7.440e-03 -4.478e-03 -1.784e-03 / CHEB/ -9.683e-03 -7.072e-03 -4.348e-03 -1.949e-03 /

2893.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-4.1	-0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-4.1	-0.5	+1.5

Chebyshev(coeffs=[[-5.97184,-0.0926143,-0.058483,-0.0278449],[12.5353,0.0476268,0.0287837,0.0130422],[0.701563,0.0338042,0.021858,0.0103555],[0.177406,0.0130694,0.0084436,0.00414861],[0.0202502,-0.00648506,-0.00401047,-0.00174225],[-0.0078043,-0.00641425,-0.00399806,-0.00183363]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.14
S298 (cal/mol*K) = 1.59
G298 (kcal/mol) = 33.67

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(37); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.972e+00 -9.261e-02 -5.848e-02 -2.784e-02 / CHEB/ 1.254e+01 4.763e-02 2.878e-02 1.304e-02 / CHEB/ 7.016e-01 3.380e-02 2.186e-02 1.036e-02 / CHEB/ 1.774e-01 1.307e-02 8.444e-03 4.149e-03 / CHEB/ 2.025e-02 -6.485e-03 -4.010e-03 -1.742e-03 / CHEB/ -7.804e-03 -6.414e-03 -3.998e-03 -1.834e-03 /

2894.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.5	+4.8	+4.8	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+4.3	+4.7	+4.8	+4.8

Chebyshev(coeffs=[[10.3808,-0.184646,-0.107966,-0.0476838],[0.450227,0.0921059,0.0508497,0.0225185],[0.00535152,0.0616988,0.0367161,0.0144699],[-0.00337024,0.0244929,0.0145085,0.00617316],[-0.0169593,-0.0102776,-0.00528189,-0.00113743],[-0.0144871,-0.0109422,-0.00622324,-0.00227214]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -88.28
S298 (cal/mol*K) = -33.11
G298 (kcal/mol) = -78.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(278); H(25), C7H11(278); C7H10(18)+H(25)(+M)=>C7H11(278)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.038e+01 -1.846e-01 -1.080e-01 -4.768e-02 / CHEB/ 4.502e-01 9.211e-02 5.085e-02 2.252e-02 / CHEB/ 5.352e-03 6.170e-02 3.672e-02 1.447e-02 / CHEB/ -3.370e-03 2.449e-02 1.451e-02 6.173e-03 / CHEB/ -1.696e-02 -1.028e-02 -5.282e-03 -1.137e-03 / CHEB/ -1.449e-02 -1.094e-02 -6.223e-03 -2.272e-03 /

2895.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.2	+7.0	+6.4	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+7.7	+7.6	+7.2	+6.8

Chebyshev(coeffs=[[12.6877,1.29999,-0.262154,-0.0323753],[-0.32189,0.313832,0.0822296,-0.00772806],[-0.314932,0.201533,0.0662119,-0.00666719],[-0.189277,0.0925805,0.0376413,0.00260522],[-0.0625953,0.00234055,0.0100384,0.00844755],[-0.0126567,-0.0177634,-0.000867956,0.00511461]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -80.00
S298 (cal/mol*K) = -28.05
G298 (kcal/mol) = -71.64

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(279); H(25), C7H11(279); C7H10(18)+H(25)(+M)=>C7H11(279)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.269e+01 1.300e+00 -2.622e-01 -3.238e-02 / CHEB/ -3.219e-01 3.138e-01 8.223e-02 -7.728e-03 / CHEB/ -3.149e-01 2.015e-01 6.621e-02 -6.667e-03 / CHEB/ -1.893e-01 9.258e-02 3.764e-02 2.605e-03 / CHEB/ -6.260e-02 2.341e-03 1.004e-02 8.448e-03 / CHEB/ -1.266e-02 -1.776e-02 -8.680e-04 5.115e-03 /

2896.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.4	+4.7	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.3	+4.7	+4.8

Chebyshev(coeffs=[[9.79638,-0.180843,-0.106019,-0.0469338],[0.846133,0.0936052,0.0518996,0.0229651],[0.1582,0.0600652,0.0359002,0.0142869],[0.0390413,0.0230519,0.0137578,0.00589136],[-0.00875746,-0.010525,-0.00547711,-0.00130767],[-0.0139515,-0.0106563,-0.00610933,-0.0022964]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.86
S298 (cal/mol*K) = -32.02
G298 (kcal/mol) = -55.32

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(280); H(25), C7H11(280); C7H10(18)+H(25)(+M)=>C7H11(280)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.796e+00 -1.808e-01 -1.060e-01 -4.693e-02 / CHEB/ 8.461e-01 9.361e-02 5.190e-02 2.297e-02 / CHEB/ 1.582e-01 6.007e-02 3.590e-02 1.429e-02 / CHEB/ 3.904e-02 2.305e-02 1.376e-02 5.891e-03 / CHEB/ -8.757e-03 -1.053e-02 -5.477e-03 -1.308e-03 / CHEB/ -1.395e-02 -1.066e-02 -6.109e-03 -2.296e-03 /

2897.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-2.2	+1.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-2.2	+1.0	+2.8

Chebyshev(coeffs=[[-3.27614,-0.0978518,-0.0614252,-0.0290804],[11.2402,0.051071,0.0306201,0.0138625],[0.654743,0.0352271,0.0226836,0.0105914],[0.155296,0.0134738,0.00868086,0.00424068],[0.0106251,-0.00680644,-0.00417179,-0.00176416],[-0.0113452,-0.00664114,-0.00412118,-0.00187702]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.43
S298 (cal/mol*K) = 10.00
G298 (kcal/mol) = 18.45

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(281); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>C6H9(281)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.276e+00 -9.785e-02 -6.143e-02 -2.908e-02 / CHEB/ 1.124e+01 5.107e-02 3.062e-02 1.386e-02 / CHEB/ 6.547e-01 3.523e-02 2.268e-02 1.059e-02 / CHEB/ 1.553e-01 1.347e-02 8.681e-03 4.241e-03 / CHEB/ 1.063e-02 -6.806e-03 -4.172e-03 -1.764e-03 / CHEB/ -1.135e-02 -6.641e-03 -4.121e-03 -1.877e-03 /

2898.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.5	-1.9	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-5.6	-1.9	+0.0

Chebyshev(coeffs=[[-7.26661,-0.0933538,-0.0588856,-0.0280124],[12.3448,0.0487624,0.0294201,0.0133243],[0.733263,0.0338402,0.021891,0.0103568],[0.187154,0.0129257,0.00836131,0.00411915],[0.026969,-0.00662257,-0.00408849,-0.00176798],[-0.0059395,-0.00643937,-0.00401296,-0.00184074]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.14
S298 (cal/mol*K) = -1.03
G298 (kcal/mol) = 33.45

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(282); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(282)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.267e+00 -9.335e-02 -5.889e-02 -2.801e-02 / CHEB/ 1.234e+01 4.876e-02 2.942e-02 1.332e-02 / CHEB/ 7.333e-01 3.384e-02 2.189e-02 1.036e-02 / CHEB/ 1.872e-01 1.293e-02 8.361e-03 4.119e-03 / CHEB/ 2.697e-02 -6.623e-03 -4.088e-03 -1.768e-03 / CHEB/ -5.939e-03 -6.439e-03 -4.013e-03 -1.841e-03 /

2899.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	-0.6	-0.1	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-1.8	-0.7	-0.2	+0.1

Chebyshev(coeffs=[[4.54242,-0.20335,-0.120869,-0.054703],[1.26455,0.108374,0.0618814,0.0283953],[0.262441,0.0596708,0.0353548,0.0137587],[0.0576757,0.0216431,0.0125901,0.00514785],[-0.013345,-0.0108456,-0.00566204,-0.00135307],[-0.0179965,-0.0103227,-0.00580284,-0.00206037]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.58
S298 (cal/mol*K) = -42.66
G298 (kcal/mol) = -46.87

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(1); H(25), H(25); C7H10(18)+H(25)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.542e+00 -2.034e-01 -1.209e-01 -5.470e-02 / CHEB/ 1.265e+00 1.084e-01 6.188e-02 2.840e-02 / CHEB/ 2.624e-01 5.967e-02 3.535e-02 1.376e-02 / CHEB/ 5.768e-02 2.164e-02 1.259e-02 5.148e-03 / CHEB/ -1.334e-02 -1.085e-02 -5.662e-03 -1.353e-03 / CHEB/ -1.800e-02 -1.032e-02 -5.803e-03 -2.060e-03 /

2900.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	-0.7	+0.5	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-2.9	-0.8	+0.5	+1.2

Chebyshev(coeffs=[[3.82571,-0.190107,-0.113681,-0.0517019],[2.5398,0.11072,0.0637587,0.0291736],[0.679036,0.0537063,0.0321856,0.0128137],[0.160655,0.0180409,0.0107448,0.00447389],[0.0077345,-0.0109785,-0.00587744,-0.00165845],[-0.0165582,-0.00953717,-0.00549295,-0.00210025]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.75
S298 (cal/mol*K) = -22.02
G298 (kcal/mol) = -24.19

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(264); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(264)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.826e+00 -1.901e-01 -1.137e-01 -5.170e-02 / CHEB/ 2.540e+00 1.107e-01 6.376e-02 2.917e-02 / CHEB/ 6.790e-01 5.371e-02 3.219e-02 1.281e-02 / CHEB/ 1.607e-01 1.804e-02 1.074e-02 4.474e-03 / CHEB/ 7.734e-03 -1.098e-02 -5.877e-03 -1.658e-03 / CHEB/ -1.656e-02 -9.537e-03 -5.493e-03 -2.100e-03 /

2901.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	-0.2	+0.9	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-2.2	-0.3	+0.9	+1.5

Chebyshev(coeffs=[[4.47618,-0.192796,-0.11514,-0.0523079],[2.28378,0.110642,0.063612,0.0291201],[0.606611,0.0550101,0.032888,0.0130343],[0.144594,0.0186534,0.011053,0.00458392],[0.0031073,-0.0110422,-0.00588474,-0.00162171],[-0.0173458,-0.00970901,-0.00556602,-0.00210359]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.41
S298 (cal/mol*K) = -45.21
G298 (kcal/mol) = -65.94

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(265); H(25), C7H11(265); C7H10(18)+H(25)(+M)=>C7H11(265)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.476e+00 -1.928e-01 -1.151e-01 -5.231e-02 / CHEB/ 2.284e+00 1.106e-01 6.361e-02 2.912e-02 / CHEB/ 6.066e-01 5.501e-02 3.289e-02 1.303e-02 / CHEB/ 1.446e-01 1.865e-02 1.105e-02 4.584e-03 / CHEB/ 3.107e-03 -1.104e-02 -5.885e-03 -1.622e-03 / CHEB/ -1.735e-02 -9.709e-03 -5.566e-03 -2.104e-03 /

2902.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+1.8	+2.1	+2.2
log₁₀(k(10 bar)/[mole,m,s])	+0.9	+1.8	+2.1	+2.2

Chebyshev(coeffs=[[7.11664,-0.205645,-0.122146,-0.0552511],[0.986287,0.106887,0.0609293,0.0279695],[0.148758,0.0600044,0.0354822,0.0137411],[0.0138425,0.0221833,0.0128529,0.00523689],[-0.0291757,-0.0106764,-0.00555351,-0.00127153],[-0.0234638,-0.0103634,-0.00580501,-0.00202298]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -89.96
S298 (cal/mol*K) = -43.50
G298 (kcal/mol) = -77.00

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(266); H(25), C7H11(266); C7H10(18)+H(25)(+M)=>C7H11(266)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.117e+00 -2.056e-01 -1.221e-01 -5.525e-02 / CHEB/ 9.863e-01 1.069e-01 6.093e-02 2.797e-02 / CHEB/ 1.488e-01 6.000e-02 3.548e-02 1.374e-02 / CHEB/ 1.384e-02 2.218e-02 1.285e-02 5.237e-03 / CHEB/ -2.918e-02 -1.068e-02 -5.554e-03 -1.272e-03 / CHEB/ -2.346e-02 -1.036e-02 -5.805e-03 -2.023e-03 /

2903.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-3.6	-1.9	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-3.7	-1.9	-0.9

Chebyshev(coeffs=[[-0.083727,-0.171044,-0.103272,-0.0473834],[4.10924,0.104788,0.0609756,0.0279075],[0.962433,0.0457547,0.0278496,0.0114347],[0.172811,0.015965,0.00980915,0.00419341],[-0.00453857,-0.00998115,-0.00552343,-0.00173734],[-0.0211402,-0.00863321,-0.00510309,-0.0020639]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.36
S298 (cal/mol*K) = -18.51
G298 (kcal/mol) = 1.16

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(28); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.373e-02 -1.710e-01 -1.033e-01 -4.738e-02 / CHEB/ 4.109e+00 1.048e-01 6.098e-02 2.791e-02 / CHEB/ 9.624e-01 4.575e-02 2.785e-02 1.143e-02 / CHEB/ 1.728e-01 1.596e-02 9.809e-03 4.193e-03 / CHEB/ -4.539e-03 -9.981e-03 -5.523e-03 -1.737e-03 / CHEB/ -2.114e-02 -8.633e-03 -5.103e-03 -2.064e-03 /

2904.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-3.4	-1.9	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-3.5	-1.9	-1.0

Chebyshev(coeffs=[[0.66986,-0.183081,-0.109864,-0.0501203],[3.28397,0.109808,0.0634886,0.0290293],[0.864327,0.0502998,0.030334,0.0122192],[0.1751,0.0168748,0.0101808,0.00428402],[-0.00693236,-0.0105998,-0.00574111,-0.00169729],[-0.0215683,-0.0091119,-0.00530859,-0.00208212]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.21
S298 (cal/mol*K) = -28.60
G298 (kcal/mol) = -8.69

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(33); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.699e-01 -1.831e-01 -1.099e-01 -5.012e-02 / CHEB/ 3.284e+00 1.098e-01 6.349e-02 2.903e-02 / CHEB/ 8.643e-01 5.030e-02 3.033e-02 1.222e-02 / CHEB/ 1.751e-01 1.687e-02 1.018e-02 4.284e-03 / CHEB/ -6.932e-03 -1.060e-02 -5.741e-03 -1.697e-03 / CHEB/ -2.157e-02 -9.112e-03 -5.309e-03 -2.082e-03 /

2905.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-5.2	-2.9	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-5.3	-2.9	-1.6

Chebyshev(coeffs=[[-2.77929,-0.153413,-0.0934059,-0.0432465],[5.94754,0.0917827,0.0537782,0.0247693],[1.08462,0.0432248,0.0265957,0.0111758],[0.205324,0.0153325,0.00957299,0.00419229],[0.00508785,-0.00937017,-0.00533978,-0.00180571],[-0.0185722,-0.00818888,-0.00489245,-0.00203595]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.19
S298 (cal/mol*K) = -21.60
G298 (kcal/mol) = 12.63

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(32); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.779e+00 -1.534e-01 -9.341e-02 -4.325e-02 / CHEB/ 5.948e+00 9.178e-02 5.378e-02 2.477e-02 / CHEB/ 1.085e+00 4.322e-02 2.660e-02 1.118e-02 / CHEB/ 2.053e-01 1.533e-02 9.573e-03 4.192e-03 / CHEB/ 5.088e-03 -9.370e-03 -5.340e-03 -1.806e-03 / CHEB/ -1.857e-02 -8.189e-03 -4.892e-03 -2.036e-03 /

2906.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-5.9	-3.5	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-6.0	-3.6	-2.2

Chebyshev(coeffs=[[-3.51774,-0.153661,-0.093546,-0.0433057],[6.01763,0.0920155,0.0539096,0.0248265],[1.10515,0.0432058,0.0265821,0.0111671],[0.210736,0.0153571,0.00958604,0.00419645],[0.00709181,-0.00938247,-0.00534504,-0.00180621],[-0.0179184,-0.00819338,-0.00489464,-0.00203624]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.19
S298 (cal/mol*K) = -22.98
G298 (kcal/mol) = 13.04

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(34); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.518e+00 -1.537e-01 -9.355e-02 -4.331e-02 / CHEB/ 6.018e+00 9.202e-02 5.391e-02 2.483e-02 / CHEB/ 1.105e+00 4.321e-02 2.658e-02 1.117e-02 / CHEB/ 2.107e-01 1.536e-02 9.586e-03 4.196e-03 / CHEB/ 7.092e-03 -9.382e-03 -5.345e-03 -1.806e-03 / CHEB/ -1.792e-02 -8.193e-03 -4.895e-03 -2.036e-03 /

2907.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	-1.4	-0.8	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-2.7	-1.4	-0.8	-0.5

Chebyshev(coeffs=[[3.71318,-0.200121,-0.119133,-0.0539793],[1.43402,0.108947,0.0623481,0.028585],[0.345565,0.0580552,0.0344855,0.0134925],[0.0695946,0.0205895,0.0120355,0.00493801],[-0.0176656,-0.0109436,-0.00575962,-0.00145543],[-0.0213239,-0.0101215,-0.00573025,-0.00208187]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.05
S298 (cal/mol*K) = -43.82
G298 (kcal/mol) = -57.00

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(267); H(25), C7H11(267); C7H10(18)+H(25)(+M)=>C7H11(267)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.713e+00 -2.001e-01 -1.191e-01 -5.398e-02 / CHEB/ 1.434e+00 1.089e-01 6.235e-02 2.859e-02 / CHEB/ 3.456e-01 5.806e-02 3.449e-02 1.349e-02 / CHEB/ 6.959e-02 2.059e-02 1.204e-02 4.938e-03 / CHEB/ -1.767e-02 -1.094e-02 -5.760e-03 -1.455e-03 / CHEB/ -2.132e-02 -1.012e-02 -5.730e-03 -2.082e-03 /

2908.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	-1.8	-1.2	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-3.1	-1.8	-1.2	-1.0

Chebyshev(coeffs=[[3.20998,-0.207171,-0.123794,-0.0564371],[1.53196,0.111729,0.0642611,0.0296764],[0.271025,0.0588043,0.0349145,0.0136482],[0.0462049,0.0223118,0.0131491,0.00550769],[-0.0220766,-0.01024,-0.00527044,-0.00117293],[-0.0221376,-0.0102683,-0.00581045,-0.00210342]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -57.62
S298 (cal/mol*K) = -22.80
G298 (kcal/mol) = -50.83

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(65); H(25), H(25); C7H10(18)+H(25)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.210e+00 -2.072e-01 -1.238e-01 -5.644e-02 / CHEB/ 1.532e+00 1.117e-01 6.426e-02 2.968e-02 / CHEB/ 2.710e-01 5.880e-02 3.491e-02 1.365e-02 / CHEB/ 4.620e-02 2.231e-02 1.315e-02 5.508e-03 / CHEB/ -2.208e-02 -1.024e-02 -5.270e-03 -1.173e-03 / CHEB/ -2.214e-02 -1.027e-02 -5.810e-03 -2.103e-03 /

2909.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-8.6	-6.3	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-8.6	-6.3	-5.1

Chebyshev(coeffs=[[-6.43533,-0.151085,-0.0924627,-0.0431066],[6.26088,0.0892371,0.0525699,0.0243843],[0.96539,0.042553,0.0262704,0.0110976],[0.16257,0.0156477,0.00983559,0.00438715],[-0.0125016,-0.00886598,-0.00506366,-0.0017108],[-0.0245083,-0.00808863,-0.00485197,-0.00204147]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.49
S298 (cal/mol*K) = -11.18
G298 (kcal/mol) = 11.82

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(31); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.435e+00 -1.511e-01 -9.246e-02 -4.311e-02 / CHEB/ 6.261e+00 8.924e-02 5.257e-02 2.438e-02 / CHEB/ 9.654e-01 4.255e-02 2.627e-02 1.110e-02 / CHEB/ 1.626e-01 1.565e-02 9.836e-03 4.387e-03 / CHEB/ -1.250e-02 -8.866e-03 -5.064e-03 -1.711e-03 / CHEB/ -2.451e-02 -8.089e-03 -4.852e-03 -2.041e-03 /

2910.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-8.4	-6.1	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-8.5	-6.1	-4.8

Chebyshev(coeffs=[[-6.32022,-0.151085,-0.0924627,-0.0431066],[6.36775,0.0892371,0.0525699,0.0243843],[0.988988,0.042553,0.0262704,0.0110976],[0.169517,0.0156477,0.00983559,0.00438715],[-0.0102011,-0.00886598,-0.00506366,-0.0017108],[-0.0236978,-0.00808863,-0.00485197,-0.00204147]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.49
S298 (cal/mol*K) = -9.80
G298 (kcal/mol) = 11.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(35); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.320e+00 -1.511e-01 -9.246e-02 -4.311e-02 / CHEB/ 6.368e+00 8.924e-02 5.257e-02 2.438e-02 / CHEB/ 9.890e-01 4.255e-02 2.627e-02 1.110e-02 / CHEB/ 1.695e-01 1.565e-02 9.836e-03 4.387e-03 / CHEB/ -1.020e-02 -8.866e-03 -5.064e-03 -1.711e-03 / CHEB/ -2.370e-02 -8.089e-03 -4.852e-03 -2.041e-03 /

2911.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-11.1	-8.2	-6.7
log₁₀(k(10 bar)/[mole,m,s])	-17.9	-11.2	-8.3	-6.7

Chebyshev(coeffs=[[-10.4979,-0.129119,-0.0798499,-0.0375549],[8.69505,0.0707131,0.0418939,0.0194257],[0.931078,0.0410655,0.0257504,0.0112503],[0.198009,0.014878,0.00941394,0.00434603],[-0.00128263,-0.0081267,-0.00478144,-0.00177203],[-0.0213243,-0.0076368,-0.00462623,-0.00200562]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.04
S298 (cal/mol*K) = -12.89
G298 (kcal/mol) = 22.88

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(30); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.050e+01 -1.291e-01 -7.985e-02 -3.755e-02 / CHEB/ 8.695e+00 7.071e-02 4.189e-02 1.943e-02 / CHEB/ 9.311e-01 4.107e-02 2.575e-02 1.125e-02 / CHEB/ 1.980e-01 1.488e-02 9.414e-03 4.346e-03 / CHEB/ -1.283e-03 -8.127e-03 -4.781e-03 -1.772e-03 / CHEB/ -2.132e-02 -7.637e-03 -4.626e-03 -2.006e-03 /

2912.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-11.1	-8.2	-6.7
log₁₀(k(10 bar)/[mole,m,s])	-17.9	-11.2	-8.3	-6.7

H298 (kcal/mol) = 19.04
S298 (cal/mol*K) = -12.89
G298 (kcal/mol) = 22.88

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(29); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.050e+01 -1.291e-01 -7.985e-02 -3.755e-02 / CHEB/ 8.695e+00 7.071e-02 4.189e-02 1.943e-02 / CHEB/ 9.311e-01 4.107e-02 2.575e-02 1.125e-02 / CHEB/ 1.980e-01 1.488e-02 9.414e-03 4.346e-03 / CHEB/ -1.283e-03 -8.127e-03 -4.781e-03 -1.772e-03 / CHEB/ -2.132e-02 -7.637e-03 -4.626e-03 -2.006e-03 /

2913.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+1.1	+1.3	+1.2
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+1.0	+1.2	+1.2

Chebyshev(coeffs=[[6.36863,-0.210619,-0.125731,-0.0572811],[0.870735,0.109707,0.0629489,0.0290841],[0.0672894,0.0594621,0.03521,0.0136762],[-0.0268409,0.023194,0.0136015,0.00567707],[-0.0478341,-0.00996307,-0.0050844,-0.00103713],[-0.0304056,-0.0103314,-0.00581392,-0.00205097]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -78.24
S298 (cal/mol*K) = -45.84
G298 (kcal/mol) = -64.58

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(283); H(25), C7H11(283); C7H10(18)+H(25)(+M)=>C7H11(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.369e+00 -2.106e-01 -1.257e-01 -5.728e-02 / CHEB/ 8.707e-01 1.097e-01 6.295e-02 2.908e-02 / CHEB/ 6.729e-02 5.946e-02 3.521e-02 1.368e-02 / CHEB/ -2.684e-02 2.319e-02 1.360e-02 5.677e-03 / CHEB/ -4.783e-02 -9.963e-03 -5.084e-03 -1.037e-03 / CHEB/ -3.041e-02 -1.033e-02 -5.814e-03 -2.051e-03 /

2914.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+0.4	+0.3	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-0.3	+0.3	+0.2	+0.0

Chebyshev(coeffs=[[5.68078,-0.21807,-0.129884,-0.0590933],[0.618659,0.105675,0.0602823,0.0278794],[-0.102932,0.0611477,0.0360172,0.0137966],[-0.0901306,0.0252592,0.0146885,0.00609531],[-0.0660374,-0.00929412,-0.00461592,-0.0006931],[-0.034215,-0.0104414,-0.00578087,-0.00189181]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -83.45
S298 (cal/mol*K) = -42.44
G298 (kcal/mol) = -70.81

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(284); H(25), C7H11(284); C7H10(18)+H(25)(+M)=>C7H11(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.681e+00 -2.181e-01 -1.299e-01 -5.909e-02 / CHEB/ 6.187e-01 1.057e-01 6.028e-02 2.788e-02 / CHEB/ -1.029e-01 6.115e-02 3.602e-02 1.380e-02 / CHEB/ -9.013e-02 2.526e-02 1.469e-02 6.095e-03 / CHEB/ -6.604e-02 -9.294e-03 -4.616e-03 -6.931e-04 / CHEB/ -3.422e-02 -1.044e-02 -5.781e-03 -1.892e-03 /

2915.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+0.3	+0.8	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+0.2	+0.8	+1.0

Chebyshev(coeffs=[[5.18422,-0.207254,-0.123866,-0.0564764],[1.59863,0.111056,0.0638691,0.0294918],[0.265657,0.0583544,0.0346389,0.0135292],[0.0344906,0.0222084,0.0130807,0.00547513],[-0.0295058,-0.0101817,-0.00524701,-0.00116724],[-0.025687,-0.0102119,-0.00578333,-0.00209204]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.23
S298 (cal/mol*K) = -24.85
G298 (kcal/mol) = -52.82

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(285); H(25), C7H11(285); C7H10(18)+H(25)(+M)=>C7H11(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.184e+00 -2.073e-01 -1.239e-01 -5.648e-02 / CHEB/ 1.599e+00 1.111e-01 6.387e-02 2.949e-02 / CHEB/ 2.657e-01 5.835e-02 3.464e-02 1.353e-02 / CHEB/ 3.449e-02 2.221e-02 1.308e-02 5.475e-03 / CHEB/ -2.951e-02 -1.018e-02 -5.247e-03 -1.167e-03 / CHEB/ -2.569e-02 -1.021e-02 -5.783e-03 -2.092e-03 /

2916.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.0	+6.2	+6.2
log₁₀(k(10 bar)/[mole,m,s])	+4.8	+5.5	+5.9	+6.2

Chebyshev(coeffs=[[11.3308,-1.09664,-0.267254,0.0257427],[0.702106,0.702758,0.0342178,-0.0788015],[0.0438294,0.153746,0.0876555,-0.00593717],[0.0241514,0.0665328,0.0372496,0.00956087],[0.0263217,0.0498816,0.0184645,0.0047582],[0.00311101,0.0160221,0.0125323,0.00464389]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.80
S298 (cal/mol*K) = -23.26
G298 (kcal/mol) = -65.87

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(286); H(25), C7H11(286); C7H10(18)+H(25)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.133e+01 -1.097e+00 -2.673e-01 2.574e-02 / CHEB/ 7.021e-01 7.028e-01 3.422e-02 -7.880e-02 / CHEB/ 4.383e-02 1.537e-01 8.766e-02 -5.937e-03 / CHEB/ 2.415e-02 6.653e-02 3.725e-02 9.561e-03 / CHEB/ 2.632e-02 4.988e-02 1.846e-02 4.758e-03 / CHEB/ 3.111e-03 1.602e-02 1.253e-02 4.644e-03 /

2917.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-6.3	-5.2	-4.5
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-6.4	-5.2	-4.5

Chebyshev(coeffs=[[-1.90935,-0.195507,-0.117354,-0.0536919],[2.63433,0.114146,0.0660987,0.0304595],[0.640616,0.0537899,0.0322309,0.0128208],[0.136877,0.019078,0.0114498,0.00485565],[-0.00641716,-0.0105139,-0.00555522,-0.00147974],[-0.0207837,-0.00963707,-0.00556064,-0.00213564]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -93.78
S298 (cal/mol*K) = -40.38
G298 (kcal/mol) = -81.75

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(287); H(25), C7H11(287); C7H10(18)+H(25)(+M)=>C7H11(287)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.909e+00 -1.955e-01 -1.174e-01 -5.369e-02 / CHEB/ 2.634e+00 1.141e-01 6.610e-02 3.046e-02 / CHEB/ 6.406e-01 5.379e-02 3.223e-02 1.282e-02 / CHEB/ 1.369e-01 1.908e-02 1.145e-02 4.856e-03 / CHEB/ -6.417e-03 -1.051e-02 -5.555e-03 -1.480e-03 / CHEB/ -2.078e-02 -9.637e-03 -5.561e-03 -2.136e-03 /

2918.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-12.9	-9.6	-7.9
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-12.9	-9.6	-7.9

Chebyshev(coeffs=[[-12.9694,-0.119845,-0.0745231,-0.0351888],[9.90368,0.0652464,0.0388261,0.0179263],[0.977925,0.0391961,0.0247968,0.0110408],[0.222465,0.0141935,0.00904555,0.00427009],[0.00864158,-0.00784577,-0.00467325,-0.00180465],[-0.0178063,-0.00737403,-0.00449807,-0.00198193]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.89
S298 (cal/mol*K) = -19.60
G298 (kcal/mol) = 28.73

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(288); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.297e+01 -1.198e-01 -7.452e-02 -3.519e-02 / CHEB/ 9.904e+00 6.525e-02 3.883e-02 1.793e-02 / CHEB/ 9.779e-01 3.920e-02 2.480e-02 1.104e-02 / CHEB/ 2.225e-01 1.419e-02 9.046e-03 4.270e-03 / CHEB/ 8.642e-03 -7.846e-03 -4.673e-03 -1.805e-03 / CHEB/ -1.781e-02 -7.374e-03 -4.498e-03 -1.982e-03 /

2919.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.1	+5.9	+5.7	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+5.6	+6.5	+6.5	+6.1

Chebyshev(coeffs=[[11.0606,1.27381,-0.124146,0.0262172],[0.531084,0.33139,-0.00546421,-0.0292132],[-0.0958974,0.123054,0.00997367,-0.0224183],[-0.195766,0.0865894,0.0132146,-0.00179375],[-0.151817,0.0401613,0.0138095,0.00277196],[-0.0690205,0.0049245,0.0113373,0.00187854]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.34
S298 (cal/mol*K) = -19.32
G298 (kcal/mol) = -26.58

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(40); H(25), C7H11(40); C7H10(65)+H(25)(+M)=>C7H11(40)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.106e+01 1.274e+00 -1.241e-01 2.622e-02 / CHEB/ 5.311e-01 3.314e-01 -5.464e-03 -2.921e-02 / CHEB/ -9.590e-02 1.231e-01 9.974e-03 -2.242e-02 / CHEB/ -1.958e-01 8.659e-02 1.321e-02 -1.794e-03 / CHEB/ -1.518e-01 4.016e-02 1.381e-02 2.772e-03 / CHEB/ -6.902e-02 4.924e-03 1.134e-02 1.879e-03 /

2920.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+2.5	+2.8	+3.0
log₁₀(k(10 bar)/[mole,m,s])	+0.9	+2.5	+3.3	+3.7

Chebyshev(coeffs=[[7.54547,-0.833073,-0.569918,0.0941971],[0.976314,2.01502,0.214071,-0.154344],[0.0968843,0.37746,0.0614229,-0.0479106],[0.109913,-0.0145794,-0.00365803,-7.28432e-05],[0.0423514,-0.0426473,0.0134521,0.0163478],[-0.0300264,-0.00532717,0.0209094,0.00972795]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.19
S298 (cal/mol*K) = -29.41
G298 (kcal/mol) = -36.42

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(22); H(25), C7H11(22); C7H10(65)+H(25)(+M)=>C7H11(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.545e+00 -8.331e-01 -5.699e-01 9.420e-02 / CHEB/ 9.763e-01 2.015e+00 2.141e-01 -1.543e-01 / CHEB/ 9.688e-02 3.775e-01 6.142e-02 -4.791e-02 / CHEB/ 1.099e-01 -1.458e-02 -3.658e-03 -7.284e-05 / CHEB/ 4.235e-02 -4.265e-02 1.345e-02 1.635e-02 / CHEB/ -3.003e-02 -5.327e-03 2.091e-02 9.728e-03 /

2921.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.9	+5.3	+4.8	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+4.3	+5.3	+5.3	+4.9

Chebyshev(coeffs=[[10.0066,-0.141783,-0.625247,-0.0255467],[0.597727,1.2153,0.176934,-0.0848527],[-0.340745,0.373493,0.122359,-0.0096016],[-0.203517,0.164514,0.0683591,0.0132671],[-0.0735572,0.0256406,0.0301,0.0149323],[-0.0415356,-0.0259548,0.00519226,0.00769843]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.44
S298 (cal/mol*K) = -4.42
G298 (kcal/mol) = -18.12

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(46); H(25), C7H11(46); C7H10(65)+H(25)(+M)=>C7H11(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.001e+01 -1.418e-01 -6.252e-01 -2.555e-02 / CHEB/ 5.977e-01 1.215e+00 1.769e-01 -8.485e-02 / CHEB/ -3.407e-01 3.735e-01 1.224e-01 -9.602e-03 / CHEB/ -2.035e-01 1.645e-01 6.836e-02 1.327e-02 / CHEB/ -7.356e-02 2.564e-02 3.010e-02 1.493e-02 / CHEB/ -4.154e-02 -2.595e-02 5.192e-03 7.698e-03 /

2922.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.8	+6.4	+6.7	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+5.6	+6.3	+6.4

Chebyshev(coeffs=[[10.4303,-1.92139,-0.595954,-0.0304216],[1.99993,1.23934,0.227345,-0.0693761],[0.171917,0.278114,0.117592,-0.00232155],[-0.0356435,0.115974,0.0522123,0.0110207],[-0.0748183,0.0216781,0.024879,0.0143844],[-0.0614888,-0.0173512,0.00639695,0.00877401]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.33
S298 (cal/mol*K) = 24.67
G298 (kcal/mol) = -25.68

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C5H7(210); H(25), C2H4(115); C7H10(65)+H(25)(+M)=>C5H7(210)+C2H4(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.043e+01 -1.921e+00 -5.960e-01 -3.042e-02 / CHEB/ 2.000e+00 1.239e+00 2.273e-01 -6.938e-02 / CHEB/ 1.719e-01 2.781e-01 1.176e-01 -2.322e-03 / CHEB/ -3.564e-02 1.160e-01 5.221e-02 1.102e-02 / CHEB/ -7.482e-02 2.168e-02 2.488e-02 1.438e-02 / CHEB/ -6.149e-02 -1.735e-02 6.397e-03 8.774e-03 /

2923.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-0.2	+1.4	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-0.4	+1.2	+2.0

Chebyshev(coeffs=[[3.00809,-0.795342,-0.0683124,0.0412308],[4.30311,0.712913,-0.0688769,-0.0716476],[0.722513,-0.0327691,0.0717244,0.00278116],[0.0595093,0.0291921,0.0208454,0.00820326],[-0.0467568,0.0364684,0.00702304,0.0028069],[-0.0348483,0.00659463,0.0052453,0.00160575]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.96
S298 (cal/mol*K) = -19.86
G298 (kcal/mol) = 3.96

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(1); H(25), H(25); C7H10(65)+H(25)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.008e+00 -7.953e-01 -6.831e-02 4.123e-02 / CHEB/ 4.303e+00 7.129e-01 -6.888e-02 -7.165e-02 / CHEB/ 7.225e-01 -3.277e-02 7.172e-02 2.781e-03 / CHEB/ 5.951e-02 2.919e-02 2.085e-02 8.203e-03 / CHEB/ -4.676e-02 3.647e-02 7.023e-03 2.807e-03 / CHEB/ -3.485e-02 6.595e-03 5.245e-03 1.606e-03 /

2924.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+2.6	+3.9	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+2.4	+3.8	+4.3

Chebyshev(coeffs=[[5.97878,-0.904962,-0.0526103,0.0583134],[3.88802,0.841031,-0.0967572,-0.0964005],[0.572221,-0.0720526,0.0717235,0.0104691],[0.0130219,0.0257416,0.0255787,0.00664962],[-0.0686616,0.043274,0.00584359,0.00180007],[-0.0444243,0.00975989,0.00448542,0.00163177]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.34
S298 (cal/mol*K) = -20.70
G298 (kcal/mol) = -26.17

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(266); H(25), C7H11(266); C7H10(65)+H(25)(+M)=>C7H11(266)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.979e+00 -9.050e-01 -5.261e-02 5.831e-02 / CHEB/ 3.888e+00 8.410e-01 -9.676e-02 -9.640e-02 / CHEB/ 5.722e-01 -7.205e-02 7.172e-02 1.047e-02 / CHEB/ 1.302e-02 2.574e-02 2.558e-02 6.650e-03 / CHEB/ -6.866e-02 4.327e-02 5.844e-03 1.800e-03 / CHEB/ -4.442e-02 9.760e-03 4.485e-03 1.632e-03 /

2925.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+1.2	+2.7	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-3.4	+0.9	+2.6	+3.3

Chebyshev(coeffs=[[3.62648,-0.484634,-0.147306,0.0035649],[5.29289,0.299488,0.0543178,-0.023221],[0.481558,0.0690887,0.0273445,-0.00439681],[0.0157394,0.0459918,0.0181645,0.00386649],[-0.0509948,0.0243994,0.0116573,0.0031732],[-0.0351064,0.00226178,0.00547905,0.00237242]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.79
S298 (cal/mol*K) = -22.41
G298 (kcal/mol) = -15.11

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(265); H(25), C7H11(265); C7H10(65)+H(25)(+M)=>C7H11(265)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.626e+00 -4.846e-01 -1.473e-01 3.565e-03 / CHEB/ 5.293e+00 2.995e-01 5.432e-02 -2.322e-02 / CHEB/ 4.816e-01 6.909e-02 2.734e-02 -4.397e-03 / CHEB/ 1.574e-02 4.599e-02 1.816e-02 3.866e-03 / CHEB/ -5.099e-02 2.440e-02 1.166e-02 3.173e-03 / CHEB/ -3.511e-02 2.262e-03 5.479e-03 2.372e-03 /

2926.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.7	-6.5	-1.8	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-20.8	-6.5	-1.8	+0.5

Chebyshev(coeffs=[[-13.6338,-0.133116,-0.0637203,-0.0128343],[20.1845,0.0626045,0.0294409,0.00501271],[-0.05452,0.0438176,0.014375,-0.00349949],[-0.00981881,0.0238423,0.0119836,0.00307686],[-0.019266,0.00307458,0.00592279,0.00531618],[-0.0107879,-0.00384206,0.000371563,0.00217127]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.11
S298 (cal/mol*K) = 11.62
G298 (kcal/mol) = 62.65

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(31); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.363e+01 -1.331e-01 -6.372e-02 -1.283e-02 / CHEB/ 2.018e+01 6.260e-02 2.944e-02 5.013e-03 / CHEB/ -5.452e-02 4.382e-02 1.438e-02 -3.499e-03 / CHEB/ -9.819e-03 2.384e-02 1.198e-02 3.077e-03 / CHEB/ -1.927e-02 3.075e-03 5.923e-03 5.316e-03 / CHEB/ -1.079e-02 -3.842e-03 3.716e-04 2.171e-03 /

2927.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.6	-6.3	-1.6	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-20.7	-6.4	-1.6	+0.7

Chebyshev(coeffs=[[-13.5187,-0.133116,-0.0637203,-0.0128343],[20.2914,0.0626045,0.0294409,0.00501271],[-0.0309215,0.0438176,0.014375,-0.00349949],[-0.00287101,0.0238423,0.0119836,0.00307686],[-0.0169656,0.00307458,0.00592279,0.00531618],[-0.00997749,-0.00384206,0.000371563,0.00217127]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.11
S298 (cal/mol*K) = 13.00
G298 (kcal/mol) = 62.24

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(35); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.352e+01 -1.331e-01 -6.372e-02 -1.283e-02 / CHEB/ 2.029e+01 6.260e-02 2.944e-02 5.013e-03 / CHEB/ -3.092e-02 4.382e-02 1.438e-02 -3.499e-03 / CHEB/ -2.871e-03 2.384e-02 1.198e-02 3.077e-03 / CHEB/ -1.697e-02 3.075e-03 5.923e-03 5.316e-03 / CHEB/ -9.977e-03 -3.842e-03 3.716e-04 2.171e-03 /

2928.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.2	-5.2	-1.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-17.3	-5.3	-1.3	+0.7

Chebyshev(coeffs=[[-10.1961,-0.156228,-0.0760665,-0.0178992],[16.8573,0.0632097,0.031837,0.00843047],[0.0825909,0.0448338,0.0136118,-0.00406654],[0.0074052,0.0351272,0.0160795,0.00263743],[-0.0191651,0.0100339,0.00887325,0.00505992],[-0.0112872,-0.00326851,0.00120542,0.00264472]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.26
S298 (cal/mol*K) = 4.29
G298 (kcal/mol) = 51.99

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(28); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.020e+01 -1.562e-01 -7.607e-02 -1.790e-02 / CHEB/ 1.686e+01 6.321e-02 3.184e-02 8.430e-03 / CHEB/ 8.259e-02 4.483e-02 1.361e-02 -4.067e-03 / CHEB/ 7.405e-03 3.513e-02 1.608e-02 2.637e-03 / CHEB/ -1.917e-02 1.003e-02 8.873e-03 5.060e-03 / CHEB/ -1.129e-02 -3.269e-03 1.205e-03 2.645e-03 /

2929.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	-4.3	-1.1	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-4.5	-1.2	+0.4

Chebyshev(coeffs=[[-6.82075,-0.198592,-0.0999196,-0.0274382],[13.0037,0.0777508,0.0433769,0.0156932],[0.2299,0.0475528,0.0152671,-0.00262692],[0.0285159,0.0453532,0.0183751,0.000985495],[-0.0202868,0.0177768,0.0107474,0.00356896],[-0.0147202,-0.00197556,0.00223287,0.00291105]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.41
S298 (cal/mol*K) = -5.80
G298 (kcal/mol) = 42.14

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(33); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.821e+00 -1.986e-01 -9.992e-02 -2.744e-02 / CHEB/ 1.300e+01 7.775e-02 4.338e-02 1.569e-02 / CHEB/ 2.299e-01 4.755e-02 1.527e-02 -2.627e-03 / CHEB/ 2.852e-02 4.535e-02 1.838e-02 9.855e-04 / CHEB/ -2.029e-02 1.778e-02 1.075e-02 3.569e-03 / CHEB/ -1.472e-02 -1.976e-03 2.233e-03 2.911e-03 /

2930.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.2	-9.6	-4.0	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-26.3	-9.6	-4.1	-1.3

Chebyshev(coeffs=[[-18.8504,-0.111003,-0.0549751,-0.0124842],[23.5405,0.0565102,0.0277567,0.00577063],[0.00838096,0.0403891,0.0148723,-0.00177777],[0.00673086,0.0165141,0.00877115,0.00271529],[-0.0120384,-0.000984895,0.00328526,0.00447161],[-0.00603505,-0.00403459,-0.000307808,0.00159773]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.66
S298 (cal/mol*K) = 9.91
G298 (kcal/mol) = 73.71

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(30); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.885e+01 -1.110e-01 -5.498e-02 -1.248e-02 / CHEB/ 2.354e+01 5.651e-02 2.776e-02 5.771e-03 / CHEB/ 8.381e-03 4.039e-02 1.487e-02 -1.778e-03 / CHEB/ 6.731e-03 1.651e-02 8.771e-03 2.715e-03 / CHEB/ -1.204e-02 -9.849e-04 3.285e-03 4.472e-03 / CHEB/ -6.035e-03 -4.035e-03 -3.078e-04 1.598e-03 /

2931.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.2	-9.6	-4.0	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-26.3	-9.6	-4.1	-1.3

H298 (kcal/mol) = 76.66
S298 (cal/mol*K) = 9.91
G298 (kcal/mol) = 73.71

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(29); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.885e+01 -1.110e-01 -5.498e-02 -1.248e-02 / CHEB/ 2.354e+01 5.651e-02 2.776e-02 5.771e-03 / CHEB/ 8.381e-03 4.039e-02 1.487e-02 -1.778e-03 / CHEB/ 6.731e-03 1.651e-02 8.771e-03 2.715e-03 / CHEB/ -1.204e-02 -9.849e-04 3.285e-03 4.472e-03 / CHEB/ -6.035e-03 -4.035e-03 -3.078e-04 1.598e-03 /

2932.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+2.8	+3.0	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+3.4	+3.8	+3.6

Chebyshev(coeffs=[[7.78133,1.28369,-0.136448,0.0189319],[1.02757,0.375578,0.0146575,-0.0232094],[0.11895,0.112404,0.0116057,-0.0233705],[-0.0455329,0.0760878,0.0157757,-0.000662113],[-0.128214,0.035103,0.0150889,0.0040987],[-0.111145,0.00255997,0.0103033,0.00242717]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.62
S298 (cal/mol*K) = -23.04
G298 (kcal/mol) = -13.75

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(283); H(25), C7H11(283); C7H10(65)+H(25)(+M)=>C7H11(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.781e+00 1.284e+00 -1.364e-01 1.893e-02 / CHEB/ 1.028e+00 3.756e-01 1.466e-02 -2.321e-02 / CHEB/ 1.190e-01 1.124e-01 1.161e-02 -2.337e-02 / CHEB/ -4.553e-02 7.609e-02 1.578e-02 -6.621e-04 / CHEB/ -1.282e-01 3.510e-02 1.509e-02 4.099e-03 / CHEB/ -1.111e-01 2.560e-03 1.030e-02 2.427e-03 /

2933.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+4.7	+4.4	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+4.8	+5.2	+5.1	+4.9

Chebyshev(coeffs=[[10.0124,1.2351,-0.141191,0.0272819],[0.401425,0.343486,-0.00517114,-0.0318684],[-0.300621,0.140216,0.0183231,-0.0236343],[-0.12405,0.0879883,0.0151405,-0.00260272],[-0.0566175,0.0377853,0.0132862,0.0024032],[-0.0427903,0.00395551,0.011248,0.00229015]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.83
S298 (cal/mol*K) = -19.64
G298 (kcal/mol) = -19.98

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(284); H(25), C7H11(284); C7H10(65)+H(25)(+M)=>C7H11(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.001e+01 1.235e+00 -1.412e-01 2.728e-02 / CHEB/ 4.014e-01 3.435e-01 -5.171e-03 -3.187e-02 / CHEB/ -3.006e-01 1.402e-01 1.832e-02 -2.363e-02 / CHEB/ -1.241e-01 8.799e-02 1.514e-02 -2.603e-03 / CHEB/ -5.662e-02 3.779e-02 1.329e-02 2.403e-03 / CHEB/ -4.279e-02 3.956e-03 1.125e-02 2.290e-03 /

2934.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+5.4	+5.9	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+5.7	+6.6	+6.8

Chebyshev(coeffs=[[8.41599,0.363498,-0.342419,0.0145207],[3.59162,1.11937,0.0319428,-0.0809859],[0.0260045,0.251642,0.107804,-0.0220268],[-0.154243,0.0662266,0.0540825,0.0137892],[-0.0752764,-0.00676046,0.0196558,0.0154568],[-0.0400967,-0.0152924,0.00288781,0.00754244]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.61
S298 (cal/mol*K) = -2.05
G298 (kcal/mol) = -1.99

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(285); H(25), C7H11(285); C7H10(65)+H(25)(+M)=>C7H11(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.416e+00 3.635e-01 -3.424e-01 1.452e-02 / CHEB/ 3.592e+00 1.119e+00 3.194e-02 -8.099e-02 / CHEB/ 2.600e-02 2.516e-01 1.078e-01 -2.203e-02 / CHEB/ -1.542e-01 6.623e-02 5.408e-02 1.379e-02 / CHEB/ -7.528e-02 -6.760e-03 1.966e-02 1.546e-02 / CHEB/ -4.010e-02 -1.529e-02 2.888e-03 7.542e-03 /

2935.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.8	+6.5	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+5.5	+6.3	+6.5

Chebyshev(coeffs=[[10.2537,-0.647482,-0.129376,0.0205537],[2.11454,0.377155,0.0109498,-0.0330157],[0.29527,0.102395,0.0266096,-0.0166709],[-0.0203359,0.0601099,0.0197045,0.00290165],[-0.0585484,0.0266045,0.0134149,0.00450895],[-0.0433535,0.00153491,0.00813083,0.00259387]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.18
S298 (cal/mol*K) = -0.46
G298 (kcal/mol) = -15.04

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(286); H(25), C7H11(286); C7H10(65)+H(25)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.025e+01 -6.475e-01 -1.294e-01 2.055e-02 / CHEB/ 2.115e+00 3.772e-01 1.095e-02 -3.302e-02 / CHEB/ 2.953e-01 1.024e-01 2.661e-02 -1.667e-02 / CHEB/ -2.034e-02 6.011e-02 1.970e-02 2.902e-03 / CHEB/ -5.855e-02 2.660e-02 1.341e-02 4.509e-03 / CHEB/ -4.335e-02 1.535e-03 8.131e-03 2.594e-03 /

2936.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-2.0	+0.5	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-2.2	+0.4	+1.7

Chebyshev(coeffs=[[-2.23324,-0.286723,-0.129924,-0.0243077],[9.54602,0.141281,0.0618296,0.00926807],[0.35273,0.0565381,0.0196462,-0.00120374],[0.0330009,0.0474911,0.0181869,0.00114015],[-0.0319892,0.022274,0.011343,0.00265207],[-0.0229109,0.000245815,0.00350177,0.00278299]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.16
S298 (cal/mol*K) = -17.58
G298 (kcal/mol) = -30.92

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(287); H(25), C7H11(287); C7H10(65)+H(25)(+M)=>C7H11(287)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.233e+00 -2.867e-01 -1.299e-01 -2.431e-02 / CHEB/ 9.546e+00 1.413e-01 6.183e-02 9.268e-03 / CHEB/ 3.527e-01 5.654e-02 1.965e-02 -1.204e-03 / CHEB/ 3.300e-02 4.749e-02 1.819e-02 1.140e-03 / CHEB/ -3.199e-02 2.227e-02 1.134e-02 2.652e-03 / CHEB/ -2.291e-02 2.458e-04 3.502e-03 2.783e-03 /

2937.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.1	+6.7	+6.3	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+6.1	+6.9	+6.8	+6.4

Chebyshev(coeffs=[[11.5836,0.653386,-0.404184,-0.0270042],[0.484345,0.513447,0.0611454,-0.0347421],[-0.254407,0.18916,0.0408832,-0.0165377],[-0.213631,0.166564,0.0381517,-0.00392418],[-0.130583,0.0839591,0.0279246,0.00220398],[-0.0595645,0.00856722,0.0143156,0.0040339]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.91
S298 (cal/mol*K) = -17.58
G298 (kcal/mol) = -30.67

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(268); H(25), C7H11(268); C7H10(65)+H(25)(+M)=>C7H11(268)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.158e+01 6.534e-01 -4.042e-01 -2.700e-02 / CHEB/ 4.843e-01 5.134e-01 6.115e-02 -3.474e-02 / CHEB/ -2.544e-01 1.892e-01 4.088e-02 -1.654e-02 / CHEB/ -2.136e-01 1.666e-01 3.815e-02 -3.924e-03 / CHEB/ -1.306e-01 8.396e-02 2.792e-02 2.204e-03 / CHEB/ -5.956e-02 8.567e-03 1.432e-02 4.034e-03 /

2938.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.3	-11.6	-5.6	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-29.3	-11.6	-5.6	-2.6

Chebyshev(coeffs=[[-21.7155,-0.100892,-0.050952,-0.0124778],[24.9354,0.0548744,0.0276516,0.00648305],[0.139289,0.0378447,0.0147514,-0.000799171],[0.0398056,0.0133773,0.0073737,0.00253962],[-0.00138328,-0.00267645,0.00199147,0.00383425],[-0.000636252,-0.00429565,-0.000779381,0.00119518]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.51
S298 (cal/mol*K) = 3.20
G298 (kcal/mol) = 79.56

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(288); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.172e+01 -1.009e-01 -5.095e-02 -1.248e-02 / CHEB/ 2.494e+01 5.487e-02 2.765e-02 6.483e-03 / CHEB/ 1.393e-01 3.784e-02 1.475e-02 -7.992e-04 / CHEB/ 3.981e-02 1.338e-02 7.374e-03 2.540e-03 / CHEB/ -1.383e-03 -2.676e-03 1.991e-03 3.834e-03 / CHEB/ -6.363e-04 -4.296e-03 -7.794e-04 1.195e-03 /

2939.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-3.1	-0.1	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-3.5	-0.3	+1.2

Chebyshev(coeffs=[[-4.47587,-0.818287,-0.420464,-0.118015],[11.1141,0.533256,0.272786,0.0721947],[0.533166,0.0943086,0.0310522,-0.0049207],[0.0960147,0.035301,0.00980562,-0.0034444],[-0.0333036,0.0294856,0.0190323,0.00785972],[-0.0368893,0.00971236,0.0101907,0.0063184]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.88
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = 26.64

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(264); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(264)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.476e+00 -8.183e-01 -4.205e-01 -1.180e-01 / CHEB/ 1.111e+01 5.333e-01 2.728e-01 7.219e-02 / CHEB/ 5.332e-01 9.431e-02 3.105e-02 -4.921e-03 / CHEB/ 9.601e-02 3.530e-02 9.806e-03 -3.444e-03 / CHEB/ -3.330e-02 2.949e-02 1.903e-02 7.860e-03 / CHEB/ -3.689e-02 9.712e-03 1.019e-02 6.318e-03 /

2940.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.4	-9.8	-4.7	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-24.7	-9.9	-4.8	-2.3

Chebyshev(coeffs=[[-17.1333,-0.29325,-0.162284,-0.0566809],[20.5205,0.111251,0.0595399,0.0185174],[0.281676,0.0657341,0.0256808,-0.000251289],[0.059157,0.0479712,0.0250393,0.0072048],[-0.0171849,0.0173019,0.0145082,0.00879264],[-0.0182702,-0.00129815,0.00236666,0.00335503]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 63.81
S298 (cal/mol*K) = 1.20
G298 (kcal/mol) = 63.46

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(32); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.713e+01 -2.933e-01 -1.623e-01 -5.668e-02 / CHEB/ 2.052e+01 1.113e-01 5.954e-02 1.852e-02 / CHEB/ 2.817e-01 6.573e-02 2.568e-02 -2.513e-04 / CHEB/ 5.916e-02 4.797e-02 2.504e-02 7.205e-03 / CHEB/ -1.718e-02 1.730e-02 1.451e-02 8.793e-03 / CHEB/ -1.827e-02 -1.298e-03 2.367e-03 3.355e-03 /

2941.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.2	-10.5	-5.4	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-25.4	-10.6	-5.5	-2.9

Chebyshev(coeffs=[[-17.8776,-0.293002,-0.162124,-0.0566017],[20.6102,0.110233,0.0589631,0.0182993],[0.288278,0.0660359,0.0258426,-0.000196295],[0.065768,0.0483529,0.0252289,0.00725514],[-0.0134512,0.017286,0.014484,0.00876653],[-0.0178723,-0.00136093,0.00233895,0.0033474]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 63.81
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = 63.87

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(34); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.788e+01 -2.930e-01 -1.621e-01 -5.660e-02 / CHEB/ 2.061e+01 1.102e-01 5.896e-02 1.830e-02 / CHEB/ 2.883e-01 6.604e-02 2.584e-02 -1.963e-04 / CHEB/ 6.577e-02 4.835e-02 2.523e-02 7.255e-03 / CHEB/ -1.345e-02 1.729e-02 1.448e-02 8.767e-03 / CHEB/ -1.787e-02 -1.361e-03 2.339e-03 3.347e-03 /

2942.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-0.6	+1.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-0.9	+1.4	+2.6

Chebyshev(coeffs=[[0.360634,-0.931307,-0.256087,0.0690267],[7.54138,1.06436,0.242479,-0.132809],[0.735427,-0.291016,-0.0769654,0.0418317],[-0.0233795,0.0581904,0.0555516,0.0193146],[-0.0686386,0.0909886,0.0138122,-0.0207638],[-0.00583677,-0.0148189,-0.00540805,0.0084143]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.43
S298 (cal/mol*K) = -21.02
G298 (kcal/mol) = -6.17

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(267); H(25), C7H11(267); C7H10(65)+H(25)(+M)=>C7H11(267)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.606e-01 -9.313e-01 -2.561e-01 6.903e-02 / CHEB/ 7.541e+00 1.064e+00 2.425e-01 -1.328e-01 / CHEB/ 7.354e-01 -2.910e-01 -7.697e-02 4.183e-02 / CHEB/ -2.338e-02 5.819e-02 5.555e-02 1.931e-02 / CHEB/ -6.864e-02 9.099e-02 1.381e-02 -2.076e-02 / CHEB/ -5.837e-03 -1.482e-02 -5.408e-03 8.414e-03 /

2943.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.4	+4.8	+5.0	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+4.0	+4.6	+4.6

Chebyshev(coeffs=[[8.91191,-1.9511,-0.620159,-0.0429047],[1.82739,1.20306,0.210784,-0.0761061],[0.077534,0.292562,0.130349,0.00559192],[-0.0718752,0.137094,0.0645988,0.0170638],[-0.0913038,0.0247039,0.0249605,0.0137642],[-0.071553,-0.0224572,0.00227965,0.00636524]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.95
S298 (cal/mol*K) = -13.46
G298 (kcal/mol) = -19.93

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(269); H(25), C7H11(269); C7H10(65)+H(25)(+M)=>C7H11(269)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.912e+00 -1.951e+00 -6.202e-01 -4.290e-02 / CHEB/ 1.827e+00 1.203e+00 2.108e-01 -7.611e-02 / CHEB/ 7.753e-02 2.926e-01 1.303e-01 5.592e-03 / CHEB/ -7.188e-02 1.371e-01 6.460e-02 1.706e-02 / CHEB/ -9.130e-02 2.470e-02 2.496e-02 1.376e-02 / CHEB/ -7.155e-02 -2.246e-02 2.280e-03 6.365e-03 /

2944.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+2.5	+4.0	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+2.0	+3.7	+4.3

Chebyshev(coeffs=[[3.71841,-1.23875,-0.567823,-0.121512],[6.54735,0.706704,0.269065,0.0133853],[0.206145,0.2108,0.103245,0.0232546],[-0.0451322,0.127736,0.0593666,0.0144538],[-0.0755364,0.025871,0.019133,0.00988212],[-0.0565911,-0.0190685,-0.00233207,0.00407827]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.12
S298 (cal/mol*K) = 17.92
G298 (kcal/mol) = 8.78

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(146); H(25), H(25); C7H10(65)+H(25)(+M)=>C7H10(146)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.718e+00 -1.239e+00 -5.678e-01 -1.215e-01 / CHEB/ 6.547e+00 7.067e-01 2.691e-01 1.339e-02 / CHEB/ 2.061e-01 2.108e-01 1.032e-01 2.325e-02 / CHEB/ -4.513e-02 1.277e-01 5.937e-02 1.445e-02 / CHEB/ -7.554e-02 2.587e-02 1.913e-02 9.882e-03 / CHEB/ -5.659e-02 -1.907e-02 -2.332e-03 4.078e-03 /

2945.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.1	+1.0	+2.5	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+0.4	+2.2	+2.9

Chebyshev(coeffs=[[1.9621,-1.2008,-0.558931,-0.124696],[6.89127,0.684836,0.268124,0.0182885],[0.2315,0.206039,0.101774,0.0239008],[-0.0374729,0.126767,0.0591718,0.0143995],[-0.071855,0.0254945,0.0187847,0.00969999],[-0.0544279,-0.0192156,-0.00266977,0.00394134]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.09
S298 (cal/mol*K) = -2.70
G298 (kcal/mol) = -21.28

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(270); H(25), C7H11(270); C7H10(65)+H(25)(+M)=>C7H11(270)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.962e+00 -1.201e+00 -5.589e-01 -1.247e-01 / CHEB/ 6.891e+00 6.848e-01 2.681e-01 1.829e-02 / CHEB/ 2.315e-01 2.060e-01 1.018e-01 2.390e-02 / CHEB/ -3.747e-02 1.268e-01 5.917e-02 1.440e-02 / CHEB/ -7.186e-02 2.549e-02 1.878e-02 9.700e-03 / CHEB/ -5.443e-02 -1.922e-02 -2.670e-03 3.941e-03 /

2946.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+2.7	+3.7	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+2.1	+3.4	+3.8

Chebyshev(coeffs=[[5.16156,-1.52759,-0.604056,-0.0872506],[4.55507,0.961455,0.273079,-0.0301898],[0.285761,0.21836,0.11697,0.0235153],[-0.0420361,0.125628,0.058929,0.0165225],[-0.0789987,0.0250877,0.0205157,0.0111398],[-0.0610698,-0.0197488,-0.000918864,0.00472586]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.48
S298 (cal/mol*K) = -8.03
G298 (kcal/mol) = -41.08

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(271); H(25), C7H11(271); C7H10(65)+H(25)(+M)=>C7H11(271)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.162e+00 -1.528e+00 -6.041e-01 -8.725e-02 / CHEB/ 4.555e+00 9.615e-01 2.731e-01 -3.019e-02 / CHEB/ 2.858e-01 2.184e-01 1.170e-01 2.352e-02 / CHEB/ -4.204e-02 1.256e-01 5.893e-02 1.652e-02 / CHEB/ -7.900e-02 2.509e-02 2.052e-02 1.114e-02 / CHEB/ -6.107e-02 -1.975e-02 -9.189e-04 4.726e-03 /

2947.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+3.9	+4.5	+4.6
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+3.2	+4.2	+4.4

Chebyshev(coeffs=[[7.30949,-1.76837,-0.612049,-0.0598552],[3.03004,1.14636,0.244752,-0.0609647],[0.263258,0.241169,0.130439,0.0176593],[-0.0443081,0.12668,0.0607584,0.0183099],[-0.0817096,0.0238629,0.0220906,0.0125435],[-0.0651628,-0.0211449,0.0004259,0.00543658]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.54
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -9.74

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(272); H(25), C7H11(272); C7H10(65)+H(25)(+M)=>C7H11(272)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.309e+00 -1.768e+00 -6.120e-01 -5.986e-02 / CHEB/ 3.030e+00 1.146e+00 2.448e-01 -6.096e-02 / CHEB/ 2.633e-01 2.412e-01 1.304e-01 1.766e-02 / CHEB/ -4.431e-02 1.267e-01 6.076e-02 1.831e-02 / CHEB/ -8.171e-02 2.386e-02 2.209e-02 1.254e-02 / CHEB/ -6.516e-02 -2.114e-02 4.259e-04 5.437e-03 /

2948.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+3.3	+3.8	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-0.0	+2.6	+3.4	+3.5

Chebyshev(coeffs=[[7.04215,-1.84548,-0.615485,-0.0525166],[2.49337,1.1772,0.230876,-0.0681231],[0.189164,0.259937,0.131578,0.0130656],[-0.0571216,0.129931,0.0623094,0.018084],[-0.0865504,0.0241687,0.0231064,0.0130699],[-0.068138,-0.021652,0.001138,0.00579892]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.74
S298 (cal/mol*K) = -7.12
G298 (kcal/mol) = -18.61

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(273); H(25), C7H11(273); C7H10(65)+H(25)(+M)=>C7H11(273)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.042e+00 -1.845e+00 -6.155e-01 -5.252e-02 / CHEB/ 2.493e+00 1.177e+00 2.309e-01 -6.812e-02 / CHEB/ 1.892e-01 2.599e-01 1.316e-01 1.307e-02 / CHEB/ -5.712e-02 1.299e-01 6.231e-02 1.808e-02 / CHEB/ -8.655e-02 2.417e-02 2.311e-02 1.307e-02 / CHEB/ -6.814e-02 -2.165e-02 1.138e-03 5.799e-03 /

2949.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.2	+2.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+1.5	+2.5	+2.7

Chebyshev(coeffs=[[5.57599,-1.75884,-0.612657,-0.0610838],[3.08749,1.13607,0.245698,-0.0598259],[0.253757,0.239779,0.129606,0.0178381],[-0.0481612,0.127336,0.0606082,0.0180866],[-0.0828009,0.0241661,0.0220895,0.0124545],[-0.0654828,-0.0210284,0.000419858,0.00542029]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.74
S298 (cal/mol*K) = -7.12
G298 (kcal/mol) = -18.61

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(274); H(25), C7H11(274); C7H10(65)+H(25)(+M)=>C7H11(274)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.576e+00 -1.759e+00 -6.127e-01 -6.108e-02 / CHEB/ 3.087e+00 1.136e+00 2.457e-01 -5.983e-02 / CHEB/ 2.538e-01 2.398e-01 1.296e-01 1.784e-02 / CHEB/ -4.816e-02 1.273e-01 6.061e-02 1.809e-02 / CHEB/ -8.280e-02 2.417e-02 2.209e-02 1.245e-02 / CHEB/ -6.548e-02 -2.103e-02 4.199e-04 5.420e-03 /

2950.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-1.5	+0.5	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-2.0	+0.3	+1.3

Chebyshev(coeffs=[[-1.66067,-0.999099,-0.50465,-0.139612],[8.76809,0.541128,0.246142,0.0428627],[0.278516,0.18983,0.0940864,0.0241241],[-0.0138995,0.124328,0.0590101,0.0139437],[-0.0571871,0.0236436,0.0172191,0.00892574],[-0.0452995,-0.0201716,-0.00425064,0.00330606]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.34
S298 (cal/mol*K) = -6.44
G298 (kcal/mol) = -7.42

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(275); H(25), C7H11(275); C7H10(65)+H(25)(+M)=>C7H11(275)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.661e+00 -9.991e-01 -5.046e-01 -1.396e-01 / CHEB/ 8.768e+00 5.411e-01 2.461e-01 4.286e-02 / CHEB/ 2.785e-01 1.898e-01 9.409e-02 2.412e-02 / CHEB/ -1.390e-02 1.243e-01 5.901e-02 1.394e-02 / CHEB/ -5.719e-02 2.364e-02 1.722e-02 8.926e-03 / CHEB/ -4.530e-02 -2.017e-02 -4.251e-03 3.306e-03 /

2951.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-0.1	+2.8	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-0.4	+2.6	+3.9

Chebyshev(coeffs=[[-3.71506,-0.574225,-0.32996,-0.127279],[14.019,0.193424,0.112442,0.0440873],[-0.209335,0.158683,0.0777221,0.0190646],[-0.115945,0.113686,0.0588684,0.0168111],[-0.073153,0.0186079,0.0148077,0.00838788],[-0.0445989,-0.0187588,-0.00597678,0.00148383]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.75
S298 (cal/mol*K) = 34.11
G298 (kcal/mol) = 36.58

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C5H7(210); H(25), C2H4(72); C7H10(65)+H(25)(+M)=>C5H7(210)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.715e+00 -5.742e-01 -3.300e-01 -1.273e-01 / CHEB/ 1.402e+01 1.934e-01 1.124e-01 4.409e-02 / CHEB/ -2.093e-01 1.587e-01 7.772e-02 1.906e-02 / CHEB/ -1.159e-01 1.137e-01 5.887e-02 1.681e-02 / CHEB/ -7.315e-02 1.861e-02 1.481e-02 8.388e-03 / CHEB/ -4.460e-02 -1.876e-02 -5.977e-03 1.484e-03 /

2952.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.2	-8.1	-2.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-25.4	-8.3	-3.0	-0.7

Chebyshev(coeffs=[[-18.226,-0.269777,-0.16312,-0.0697093],[24.1892,0.0720371,0.0399174,0.0134747],[-0.348146,0.0955485,0.0519557,0.0170044],[-0.160947,0.0560667,0.0344645,0.0152341],[-0.0810993,0.00125596,0.00485102,0.00563657],[-0.0386223,-0.012753,-0.00581571,-0.000804074]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.89
S298 (cal/mol*K) = 37.08
G298 (kcal/mol) = 69.84

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C4H5(99); H(25), C3H6(276); C7H10(65)+H(25)(+M)=>C3H6(276)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.823e+01 -2.698e-01 -1.631e-01 -6.971e-02 / CHEB/ 2.419e+01 7.204e-02 3.992e-02 1.347e-02 / CHEB/ -3.481e-01 9.555e-02 5.196e-02 1.700e-02 / CHEB/ -1.609e-01 5.607e-02 3.446e-02 1.523e-02 / CHEB/ -8.110e-02 1.256e-03 4.851e-03 5.637e-03 / CHEB/ -3.862e-02 -1.275e-02 -5.816e-03 -8.041e-04 /

2953.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.3	-5.4	-1.4	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-5.6	-1.5	+0.4

Chebyshev(coeffs=[[-11.5381,-0.442304,-0.256886,-0.101548],[18.1322,0.135757,0.0762366,0.0276308],[-0.0850076,0.136993,0.0686553,0.0180171],[-0.0764201,0.0918602,0.0512857,0.0181345],[-0.0557922,0.0106441,0.0114077,0.00835212],[-0.0346731,-0.0173014,-0.00639844,0.000480639]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.62
S298 (cal/mol*K) = 22.80
G298 (kcal/mol) = 50.83

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(18); H(25), H(25); C7H10(65)+H(25)(+M)=>C7H10(18)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.154e+01 -4.423e-01 -2.569e-01 -1.015e-01 / CHEB/ 1.813e+01 1.358e-01 7.624e-02 2.763e-02 / CHEB/ -8.501e-02 1.370e-01 6.866e-02 1.802e-02 / CHEB/ -7.642e-02 9.186e-02 5.129e-02 1.813e-02 / CHEB/ -5.579e-02 1.064e-02 1.141e-02 8.352e-03 / CHEB/ -3.467e-02 -1.730e-02 -6.398e-03 4.806e-04 /

2954.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-5.9	-2.1	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-18.7	-6.2	-2.2	-0.4

Chebyshev(coeffs=[[-11.6824,-0.461337,-0.267607,-0.105554],[17.5291,0.14357,0.0813349,0.0301838],[-0.0804451,0.14067,0.0701674,0.0181698],[-0.0749269,0.0955497,0.0527229,0.0180759],[-0.0557586,0.0118095,0.0119766,0.00841293],[-0.0352128,-0.0176775,-0.0064024,0.000626484]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.05
S298 (cal/mol*K) = 18.96
G298 (kcal/mol) = 51.40

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(89); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.168e+01 -4.613e-01 -2.676e-01 -1.056e-01 / CHEB/ 1.753e+01 1.436e-01 8.133e-02 3.018e-02 / CHEB/ -8.045e-02 1.407e-01 7.017e-02 1.817e-02 / CHEB/ -7.493e-02 9.555e-02 5.272e-02 1.808e-02 / CHEB/ -5.576e-02 1.181e-02 1.198e-02 8.413e-03 / CHEB/ -3.521e-02 -1.768e-02 -6.402e-03 6.265e-04 /

2955.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.0	-12.5	-6.3	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-32.2	-12.6	-6.3	-3.4

Chebyshev(coeffs=[[-24.6373,-0.227585,-0.140435,-0.0625212],[27.5464,0.057355,0.0326878,0.0118916],[-0.121669,0.0832784,0.046788,0.0166566],[-0.0979379,0.0476002,0.0298129,0.0136858],[-0.0598749,-0.000399192,0.0030702,0.00432598],[-0.0299608,-0.0114612,-0.00555853,-0.00111318]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.56
S298 (cal/mol*K) = 24.81
G298 (kcal/mol) = 82.17

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(95); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.464e+01 -2.276e-01 -1.404e-01 -6.252e-02 / CHEB/ 2.755e+01 5.736e-02 3.269e-02 1.189e-02 / CHEB/ -1.217e-01 8.328e-02 4.679e-02 1.666e-02 / CHEB/ -9.794e-02 4.760e-02 2.981e-02 1.369e-02 / CHEB/ -5.987e-02 -3.992e-04 3.070e-03 4.326e-03 / CHEB/ -2.996e-02 -1.146e-02 -5.559e-03 -1.113e-03 /

2956.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.9	-8.1	-1.8	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-29.0	-8.2	-1.8	+1.1

Chebyshev(coeffs=[[-21.5389,-0.190645,-0.117236,-0.0515678],[29.3173,0.0787845,0.0482476,0.0209502],[-0.341347,0.0912032,0.0521102,0.0191615],[-0.181732,0.0277588,0.0170403,0.00749634],[-0.104693,-0.017221,-0.00759692,-0.000527907],[-0.0511195,-0.0129938,-0.00653745,-0.00151734]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.72
S298 (cal/mol*K) = 40.82
G298 (kcal/mol) = 85.55

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C5H8(277); H(25), C2H3(100); C7H10(65)+H(25)(+M)=>C5H8(277)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.154e+01 -1.906e-01 -1.172e-01 -5.157e-02 / CHEB/ 2.932e+01 7.878e-02 4.825e-02 2.095e-02 / CHEB/ -3.413e-01 9.120e-02 5.211e-02 1.916e-02 / CHEB/ -1.817e-01 2.776e-02 1.704e-02 7.496e-03 / CHEB/ -1.047e-01 -1.722e-02 -7.597e-03 -5.279e-04 / CHEB/ -5.112e-02 -1.299e-02 -6.537e-03 -1.517e-03 /

2957.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.2	-9.4	-3.8	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-27.4	-9.6	-3.9	-1.2

Chebyshev(coeffs=[[-19.9448,-0.275674,-0.166262,-0.0706875],[24.9807,0.0741043,0.0409381,0.0137089],[-0.107111,0.0971896,0.0526297,0.0170385],[-0.0895552,0.0572658,0.0351049,0.015429],[-0.0574951,0.00151525,0.00510263,0.00580299],[-0.0304709,-0.0129258,-0.00584613,-0.000759893]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.36
S298 (cal/mol*K) = 23.71
G298 (kcal/mol) = 73.30

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(96); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.994e+01 -2.757e-01 -1.663e-01 -7.069e-02 / CHEB/ 2.498e+01 7.410e-02 4.094e-02 1.371e-02 / CHEB/ -1.071e-01 9.719e-02 5.263e-02 1.704e-02 / CHEB/ -8.956e-02 5.727e-02 3.510e-02 1.543e-02 / CHEB/ -5.750e-02 1.515e-03 5.103e-03 5.803e-03 / CHEB/ -3.047e-02 -1.293e-02 -5.846e-03 -7.599e-04 /

2958.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.2	-9.4	-3.8	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-27.4	-9.6	-3.9	-1.2

H298 (kcal/mol) = 80.36
S298 (cal/mol*K) = 23.71
G298 (kcal/mol) = 73.30

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(97); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.994e+01 -2.757e-01 -1.663e-01 -7.069e-02 / CHEB/ 2.498e+01 7.410e-02 4.094e-02 1.371e-02 / CHEB/ -1.071e-01 9.719e-02 5.263e-02 1.704e-02 / CHEB/ -8.956e-02 5.727e-02 3.510e-02 1.543e-02 / CHEB/ -5.750e-02 1.515e-03 5.103e-03 5.803e-03 / CHEB/ -3.047e-02 -1.293e-02 -5.846e-03 -7.599e-04 /

2959.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.0	-12.0	-5.6	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-32.2	-12.1	-5.6	-2.6

Chebyshev(coeffs=[[-24.5633,-0.217164,-0.134747,-0.0606535],[28.2799,0.05377,0.0309036,0.0114925],[-0.100141,0.080106,0.0454072,0.0165282],[-0.0926123,0.0455302,0.0286429,0.0132636],[-0.0579835,-0.000751224,0.00264231,0.00397617],[-0.0289935,-0.0111244,-0.00548183,-0.00118598]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.76
S298 (cal/mol*K) = 24.39
G298 (kcal/mol) = 84.50

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(37); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.456e+01 -2.172e-01 -1.347e-01 -6.065e-02 / CHEB/ 2.828e+01 5.377e-02 3.090e-02 1.149e-02 / CHEB/ -1.001e-01 8.011e-02 4.541e-02 1.653e-02 / CHEB/ -9.261e-02 4.553e-02 2.864e-02 1.326e-02 / CHEB/ -5.798e-02 -7.512e-04 2.642e-03 3.976e-03 / CHEB/ -2.899e-02 -1.112e-02 -5.482e-03 -1.186e-03 /

2960.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+4.8	+5.7	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+4.5	+5.5	+5.9

Chebyshev(coeffs=[[8.81555,-0.737081,-0.125372,0.0356452],[2.83921,0.539491,0.00476613,-0.056106],[0.334509,0.0505605,0.0381738,-0.00946451],[-0.0160071,0.0495635,0.0183699,0.00544133],[-0.0451839,0.0275522,0.0130523,0.00410337],[-0.03653,0.00181508,0.00722931,0.00253331]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.66
S298 (cal/mol*K) = -10.31
G298 (kcal/mol) = -27.58

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(278); H(25), C7H11(278); C7H10(65)+H(25)(+M)=>C7H11(278)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.816e+00 -7.371e-01 -1.254e-01 3.565e-02 / CHEB/ 2.839e+00 5.395e-01 4.766e-03 -5.611e-02 / CHEB/ 3.345e-01 5.056e-02 3.817e-02 -9.465e-03 / CHEB/ -1.601e-02 4.956e-02 1.837e-02 5.441e-03 / CHEB/ -4.518e-02 2.755e-02 1.305e-02 4.103e-03 / CHEB/ -3.653e-02 1.815e-03 7.229e-03 2.533e-03 /

2961.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-0.2	+1.6	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-0.7	+1.4	+2.2

Chebyshev(coeffs=[[-0.416665,-0.992025,-0.505434,-0.142777],[8.6868,0.498151,0.231631,0.0438183],[0.117314,0.198083,0.0949258,0.0219749],[-0.0519596,0.129612,0.0605924,0.0134855],[-0.0699366,0.0257581,0.0179421,0.00892261],[-0.0513364,-0.019246,-0.00372297,0.00344713]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.38
S298 (cal/mol*K) = -5.25
G298 (kcal/mol) = -20.81

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(279); H(25), C7H11(279); C7H10(65)+H(25)(+M)=>C7H11(279)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.167e-01 -9.920e-01 -5.054e-01 -1.428e-01 / CHEB/ 8.687e+00 4.982e-01 2.316e-01 4.382e-02 / CHEB/ 1.173e-01 1.981e-01 9.493e-02 2.197e-02 / CHEB/ -5.196e-02 1.296e-01 6.059e-02 1.349e-02 / CHEB/ -6.994e-02 2.576e-02 1.794e-02 8.923e-03 / CHEB/ -5.134e-02 -1.925e-02 -3.723e-03 3.447e-03 /

2962.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+4.6	+5.6	+6.0
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+4.3	+5.5	+6.0

Chebyshev(coeffs=[[8.16626,-0.58695,-0.139942,0.0134634],[3.53713,0.372575,0.0327182,-0.0301222],[0.372266,0.0767715,0.0298178,-0.0110634],[-0.011105,0.0512967,0.0191938,0.00448851],[-0.0405859,0.0252056,0.0124614,0.00406868],[-0.03442,0.00206339,0.00665061,0.00240334]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.24
S298 (cal/mol*K) = -9.22
G298 (kcal/mol) = -4.49

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(280); H(25), C7H11(280); C7H10(65)+H(25)(+M)=>C7H11(280)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.166e+00 -5.869e-01 -1.399e-01 1.346e-02 / CHEB/ 3.537e+00 3.726e-01 3.272e-02 -3.012e-02 / CHEB/ 3.723e-01 7.677e-02 2.982e-02 -1.106e-02 / CHEB/ -1.110e-02 5.130e-02 1.919e-02 4.489e-03 / CHEB/ -4.059e-02 2.521e-02 1.246e-02 4.069e-03 / CHEB/ -3.442e-02 2.063e-03 6.651e-03 2.403e-03 /

2963.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.9	-9.9	-3.9	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-29.0	-10.0	-4.0	-1.2

Chebyshev(coeffs=[[-21.5778,-0.235204,-0.144568,-0.0638572],[26.8069,0.0600026,0.033998,0.0121793],[-0.185871,0.0855501,0.0477633,0.0167357],[-0.116242,0.0491174,0.0306626,0.0139848],[-0.0659823,-0.000127921,0.00338643,0.00457579],[-0.0323346,-0.0117022,-0.00561083,-0.00105888]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.05
S298 (cal/mol*K) = 32.80
G298 (kcal/mol) = 69.28

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C6H9(281); H(25), CH2(T)(82); C7H10(65)+H(25)(+M)=>C6H9(281)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.158e+01 -2.352e-01 -1.446e-01 -6.386e-02 / CHEB/ 2.681e+01 6.000e-02 3.400e-02 1.218e-02 / CHEB/ -1.859e-01 8.555e-02 4.776e-02 1.674e-02 / CHEB/ -1.162e-01 4.912e-02 3.066e-02 1.398e-02 / CHEB/ -6.598e-02 -1.279e-04 3.386e-03 4.576e-03 / CHEB/ -3.233e-02 -1.170e-02 -5.611e-03 -1.059e-03 /

2964.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.5	-13.5	-7.1	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-33.7	-13.6	-7.2	-4.1

Chebyshev(coeffs=[[-26.027,-0.218079,-0.135179,-0.0607262],[28.1574,0.0565352,0.032504,0.0121063],[-0.0650987,0.080417,0.0455873,0.016604],[-0.0831893,0.0451886,0.0284783,0.0132329],[-0.0550736,-0.00117663,0.00241315,0.00390239],[-0.0280309,-0.0113331,-0.00561826,-0.00125326]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 90.76
S298 (cal/mol*K) = 21.77
G298 (kcal/mol) = 84.28

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(282); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(282)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.603e+01 -2.181e-01 -1.352e-01 -6.073e-02 / CHEB/ 2.816e+01 5.654e-02 3.250e-02 1.211e-02 / CHEB/ -6.510e-02 8.042e-02 4.559e-02 1.660e-02 / CHEB/ -8.319e-02 4.519e-02 2.848e-02 1.323e-02 / CHEB/ -5.507e-02 -1.177e-03 2.413e-03 3.902e-03 / CHEB/ -2.803e-02 -1.133e-02 -5.618e-03 -1.253e-03 /

2967.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	+1.1	+3.8	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-8.3	+2.0	+4.8	+5.9

Chebyshev(coeffs=[[-8.47079,1.88203,-0.0763561,-0.0372607],[13.9654,0.0628469,0.0397214,0.0184704],[-0.160313,0.00088888,0.00208371,0.00243505],[-0.315628,0.0386856,0.0236847,0.0102861],[-0.14682,0.0135813,0.00850914,0.00388822],[-0.0218618,-0.00438663,-0.00260267,-0.00104174]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.62
S298 (cal/mol*K) = 24.73
G298 (kcal/mol) = 36.25

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(309); C7H11(40)(+M)=>H(25)+C7H10(309)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.471e+00 1.882e+00 -7.636e-02 -3.726e-02 / CHEB/ 1.397e+01 6.285e-02 3.972e-02 1.847e-02 / CHEB/ -1.603e-01 8.889e-04 2.084e-03 2.435e-03 / CHEB/ -3.156e-01 3.869e-02 2.368e-02 1.029e-02 / CHEB/ -1.468e-01 1.358e-02 8.509e-03 3.888e-03 / CHEB/ -2.186e-02 -4.387e-03 -2.603e-03 -1.042e-03 /

2968.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	+2.0	+4.3	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+2.9	+5.3	+6.1

Chebyshev(coeffs=[[-6.1498,1.84827,-0.0959444,-0.0447247],[11.8034,0.0811843,0.0494906,0.0213073],[-0.110548,0.000739332,0.00308916,0.00391215],[-0.282215,0.0489098,0.0288219,0.0114514],[-0.147993,0.0176385,0.0108118,0.00471242],[-0.0337913,-0.00489269,-0.00270009,-0.000873918]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.13
S298 (cal/mol*K) = 18.70
G298 (kcal/mol) = 31.56

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(121); C7H11(40)(+M)=>H(25)+C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.150e+00 1.848e+00 -9.594e-02 -4.472e-02 / CHEB/ 1.180e+01 8.118e-02 4.949e-02 2.131e-02 / CHEB/ -1.105e-01 7.393e-04 3.089e-03 3.912e-03 / CHEB/ -2.822e-01 4.891e-02 2.882e-02 1.145e-02 / CHEB/ -1.480e-01 1.764e-02 1.081e-02 4.712e-03 / CHEB/ -3.379e-02 -4.893e-03 -2.700e-03 -8.739e-04 /

2969.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	-1.9	+1.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-1.0	+2.3	+3.6

Chebyshev(coeffs=[[-12.8426,1.91187,-0.0581995,-0.0294911],[16.1104,0.0473244,0.0308032,0.0151812],[-0.189244,0.00200341,0.00208105,0.00176358],[-0.289439,0.0282115,0.0178651,0.0083383],[-0.140871,0.00978602,0.00626987,0.00299823],[-0.025876,-0.00373155,-0.00231604,-0.00103296]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.21
S298 (cal/mol*K) = 0.41
G298 (kcal/mol) = 17.08

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(310); C7H11(40)(+M)=>C7H11(310)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.284e+01 1.912e+00 -5.820e-02 -2.949e-02 / CHEB/ 1.611e+01 4.732e-02 3.080e-02 1.518e-02 / CHEB/ -1.892e-01 2.003e-03 2.081e-03 1.764e-03 / CHEB/ -2.894e-01 2.821e-02 1.787e-02 8.338e-03 / CHEB/ -1.409e-01 9.786e-03 6.270e-03 2.998e-03 / CHEB/ -2.588e-02 -3.732e-03 -2.316e-03 -1.033e-03 /

2970.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-0.4	+2.4	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-9.9	+0.6	+3.4	+4.4

Chebyshev(coeffs=[[-10.1518,1.88617,-0.073904,-0.0362735],[14.3066,0.0597698,0.0379793,0.0178531],[-0.236732,0.00159433,0.00238273,0.00243591],[-0.286174,0.0371984,0.0228865,0.0100482],[-0.149272,0.0132314,0.0083032,0.00380692],[-0.0400066,-0.00410252,-0.00244955,-0.000996195]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.41
S298 (cal/mol*K) = -0.32
G298 (kcal/mol) = 9.50

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(311); C7H11(40)(+M)=>C7H11(311)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.015e+01 1.886e+00 -7.390e-02 -3.627e-02 / CHEB/ 1.431e+01 5.977e-02 3.798e-02 1.785e-02 / CHEB/ -2.367e-01 1.594e-03 2.383e-03 2.436e-03 / CHEB/ -2.862e-01 3.720e-02 2.289e-02 1.005e-02 / CHEB/ -1.493e-01 1.323e-02 8.303e-03 3.807e-03 / CHEB/ -4.001e-02 -4.103e-03 -2.450e-03 -9.962e-04 /

2971.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-2.1	+1.5	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-1.2	+2.5	+4.0

Chebyshev(coeffs=[[-13.2921,1.72402,-0.0910506,-0.00278954],[16.5961,0.378677,0.0978244,-0.0244668],[0.143658,-0.196034,-0.04544,0.0212729],[-0.356451,0.0966462,0.0410873,0.00469794],[-0.107538,0.00594719,-0.00424371,-0.00259596],[-0.00913119,-0.0234006,-0.00211988,0.00447469]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.91
S298 (cal/mol*K) = -1.70
G298 (kcal/mol) = 20.41

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(267); C7H11(40)(+M)=>C7H11(267)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.329e+01 1.724e+00 -9.105e-02 -2.790e-03 / CHEB/ 1.660e+01 3.787e-01 9.782e-02 -2.447e-02 / CHEB/ 1.437e-01 -1.960e-01 -4.544e-02 2.127e-02 / CHEB/ -3.565e-01 9.665e-02 4.109e-02 4.698e-03 / CHEB/ -1.075e-01 5.947e-03 -4.244e-03 -2.596e-03 / CHEB/ -9.131e-03 -2.340e-02 -2.120e-03 4.475e-03 /

2972.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.8	-13.3	-5.7	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-36.8	-12.3	-4.7	-1.2

Chebyshev(coeffs=[[-35.8653,1.99278,-0.00501763,-0.00277555],[34.26,0.00148991,0.00103358,0.000570702],[-0.209158,0.00175157,0.00121437,0.000669854],[-0.243524,0.000975437,0.000677707,0.000375141],[-0.125193,0.000550061,0.000381904,0.000211159],[-0.0258663,0.000119297,8.25309e-05,4.53611e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.91
S298 (cal/mol*K) = 32.34
G298 (kcal/mol) = 102.27

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(312); C7H11(40)(+M)=>H(25)+C7H10(312)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.587e+01 1.993e+00 -5.018e-03 -2.776e-03 / CHEB/ 3.426e+01 1.490e-03 1.034e-03 5.707e-04 / CHEB/ -2.092e-01 1.752e-03 1.214e-03 6.699e-04 / CHEB/ -2.435e-01 9.754e-04 6.777e-04 3.751e-04 / CHEB/ -1.252e-01 5.501e-04 3.819e-04 2.112e-04 / CHEB/ -2.587e-02 1.193e-04 8.253e-05 4.536e-05 /

2973.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.2	-12.6	-5.0	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-36.2	-11.6	-4.0	-0.4

Chebyshev(coeffs=[[-35.2365,1.99278,-0.00501763,-0.00277555],[34.3721,0.00148991,0.00103358,0.000570702],[-0.184416,0.00175157,0.00121437,0.000669854],[-0.23624,0.000975437,0.000677707,0.000375141],[-0.122781,0.000550061,0.000381904,0.000211159],[-0.0250166,0.000119297,8.25309e-05,4.53611e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.91
S298 (cal/mol*K) = 32.34
G298 (kcal/mol) = 102.27

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(313); C7H11(40)(+M)=>H(25)+C7H10(313)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.524e+01 1.993e+00 -5.018e-03 -2.776e-03 / CHEB/ 3.437e+01 1.490e-03 1.034e-03 5.707e-04 / CHEB/ -1.844e-01 1.752e-03 1.214e-03 6.699e-04 / CHEB/ -2.362e-01 9.754e-04 6.777e-04 3.751e-04 / CHEB/ -1.228e-01 5.501e-04 3.819e-04 2.112e-04 / CHEB/ -2.502e-02 1.193e-04 8.253e-05 4.536e-05 /

2974.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.7	-13.6	-5.7	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-37.7	-12.6	-4.7	-1.1

Chebyshev(coeffs=[[-36.6824,1.99308,-0.00480404,-0.00265771],[35.1654,0.0014527,0.00100761,0.000556205],[-0.1869,0.00169085,0.00117237,0.000646771],[-0.230053,0.000866602,0.000602378,0.000333704],[-0.122023,0.000486808,0.000338195,0.000187181],[-0.0262615,0.000116963,8.09597e-05,4.45375e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 114.61
S298 (cal/mol*K) = 31.61
G298 (kcal/mol) = 105.19

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(314); C7H11(40)(+M)=>H(25)+C7H10(314)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.668e+01 1.993e+00 -4.804e-03 -2.658e-03 / CHEB/ 3.517e+01 1.453e-03 1.008e-03 5.562e-04 / CHEB/ -1.869e-01 1.691e-03 1.172e-03 6.468e-04 / CHEB/ -2.301e-01 8.666e-04 6.024e-04 3.337e-04 / CHEB/ -1.220e-01 4.868e-04 3.382e-04 1.872e-04 / CHEB/ -2.626e-02 1.170e-04 8.096e-05 4.454e-05 /

2975.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.5	-10.4	-3.6	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-31.5	-9.4	-2.6	+0.5

Chebyshev(coeffs=[[-30.7739,1.99078,-0.00640253,-0.00353804],[30.9104,0.00178048,0.00123679,0.000684402],[-0.205785,0.00215744,0.00149476,0.000823597],[-0.248303,0.00170979,0.00118458,0.000652672],[-0.125101,0.00095579,0.00066129,0.000363522],[-0.0243818,0.000114279,7.87405e-05,4.29852e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.21
S298 (cal/mol*K) = 30.23
G298 (kcal/mol) = 92.20

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(254); C7H11(40)(+M)=>H(25)+C7H10(254)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.077e+01 1.991e+00 -6.403e-03 -3.538e-03 / CHEB/ 3.091e+01 1.780e-03 1.237e-03 6.844e-04 / CHEB/ -2.058e-01 2.157e-03 1.495e-03 8.236e-04 / CHEB/ -2.483e-01 1.710e-03 1.185e-03 6.527e-04 / CHEB/ -1.251e-01 9.558e-04 6.613e-04 3.635e-04 / CHEB/ -2.438e-02 1.143e-04 7.874e-05 4.299e-05 /

2976.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.9	-11.1	-4.0	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-32.9	-10.1	-3.0	+0.2

Chebyshev(coeffs=[[-32.0694,1.99145,-0.0059369,-0.00328198],[31.8547,0.00164445,0.00114183,0.000631414],[-0.213358,0.00203459,0.00141,0.000777221],[-0.240185,0.00146636,0.00101683,0.000561065],[-0.124305,0.000825019,0.000571428,0.000314689],[-0.0263818,0.000121902,8.41196e-05,4.60383e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 104.11
S298 (cal/mol*K) = 31.61
G298 (kcal/mol) = 94.69

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(315); C7H11(40)(+M)=>H(25)+C7H10(315)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.207e+01 1.991e+00 -5.937e-03 -3.282e-03 / CHEB/ 3.185e+01 1.644e-03 1.142e-03 6.314e-04 / CHEB/ -2.134e-01 2.035e-03 1.410e-03 7.772e-04 / CHEB/ -2.402e-01 1.466e-03 1.017e-03 5.611e-04 / CHEB/ -1.243e-01 8.250e-04 5.714e-04 3.147e-04 / CHEB/ -2.638e-02 1.219e-04 8.412e-05 4.604e-05 /

2977.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.8	-10.9	-3.8	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-32.8	-9.9	-2.8	+0.4

Chebyshev(coeffs=[[-31.9543,1.99145,-0.0059369,-0.00328198],[31.9616,0.00164445,0.00114183,0.000631414],[-0.18976,0.00203459,0.00141,0.000777221],[-0.233237,0.00146636,0.00101683,0.000561065],[-0.122005,0.000825019,0.000571428,0.000314689],[-0.0255713,0.000121902,8.41196e-05,4.60383e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 104.11
S298 (cal/mol*K) = 31.61
G298 (kcal/mol) = 94.69

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(316); C7H11(40)(+M)=>H(25)+C7H10(316)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.195e+01 1.991e+00 -5.937e-03 -3.282e-03 / CHEB/ 3.196e+01 1.644e-03 1.142e-03 6.314e-04 / CHEB/ -1.898e-01 2.035e-03 1.410e-03 7.772e-04 / CHEB/ -2.332e-01 1.466e-03 1.017e-03 5.611e-04 / CHEB/ -1.220e-01 8.250e-04 5.714e-04 3.147e-04 / CHEB/ -2.557e-02 1.219e-04 8.412e-05 4.604e-05 /

2978.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+3.5	+5.1	+5.5
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+4.4	+6.1	+6.5

Chebyshev(coeffs=[[-2.89975,1.79399,-0.125484,-0.0541188],[9.03236,0.106194,0.0608469,0.0225733],[-0.137473,2.51924e-05,0.00469477,0.00642615],[-0.28066,0.0620253,0.0343782,0.0116168],[-0.156934,0.0245563,0.0145337,0.00583631],[-0.0461921,-0.00395822,-0.00167385,3.64832e-06]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.32
S298 (cal/mol*K) = 10.01
G298 (kcal/mol) = 20.34

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(317); C7H11(40)(+M)=>C7H11(317)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.900e+00 1.794e+00 -1.255e-01 -5.412e-02 / CHEB/ 9.032e+00 1.062e-01 6.085e-02 2.257e-02 / CHEB/ -1.375e-01 2.519e-05 4.695e-03 6.426e-03 / CHEB/ -2.807e-01 6.203e-02 3.438e-02 1.162e-02 / CHEB/ -1.569e-01 2.456e-02 1.453e-02 5.836e-03 / CHEB/ -4.619e-02 -3.958e-03 -1.674e-03 3.648e-06 /

2979.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-8.2	-2.2	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-27.1	-7.2	-1.2	+1.4

Chebyshev(coeffs=[[-26.5732,1.98755,-0.00863145,-0.00475896],[27.7192,0.00248194,0.0017269,0.000958193],[-0.286285,0.00278813,0.00192886,0.00106016],[-0.266659,0.00291055,0.0020081,0.00109871],[-0.131404,0.00156546,0.00107765,0.0005874],[-0.0276416,5.21341e-05,3.54607e-05,1.89361e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.79
S298 (cal/mol*K) = 31.30
G298 (kcal/mol) = 80.46

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), CH2(137); C7H11(40), C6H9(318); C7H11(40)(+M)=>CH2(137)+C6H9(318)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.657e+01 1.988e+00 -8.631e-03 -4.759e-03 / CHEB/ 2.772e+01 2.482e-03 1.727e-03 9.582e-04 / CHEB/ -2.863e-01 2.788e-03 1.929e-03 1.060e-03 / CHEB/ -2.667e-01 2.911e-03 2.008e-03 1.099e-03 / CHEB/ -1.314e-01 1.565e-03 1.078e-03 5.874e-04 / CHEB/ -2.764e-02 5.213e-05 3.546e-05 1.894e-05 /

2980.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-2.7	+0.6	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-1.7	+1.6	+2.8

Chebyshev(coeffs=[[-13.6761,1.91265,-0.0577397,-0.0293087],[16.2383,0.0448686,0.0292931,0.0145198],[-0.279563,0.00285854,0.00257387,0.00194665],[-0.276018,0.0280199,0.0177667,0.00831431],[-0.14599,0.0101559,0.00649293,0.00309166],[-0.04307,-0.00334678,-0.00207883,-0.000928521]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.65
S298 (cal/mol*K) = -5.58
G298 (kcal/mol) = 17.31

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(319); C7H11(40)(+M)=>C7H11(319)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.368e+01 1.913e+00 -5.774e-02 -2.931e-02 / CHEB/ 1.624e+01 4.487e-02 2.929e-02 1.452e-02 / CHEB/ -2.796e-01 2.859e-03 2.574e-03 1.947e-03 / CHEB/ -2.760e-01 2.802e-02 1.777e-02 8.314e-03 / CHEB/ -1.460e-01 1.016e-02 6.493e-03 3.092e-03 / CHEB/ -4.307e-02 -3.347e-03 -2.079e-03 -9.285e-04 /

2981.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-0.5	+2.5	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-10.5	+0.4	+3.4	+4.6

Chebyshev(coeffs=[[-10.64,1.89433,-0.0689645,-0.0341833],[14.8794,0.0570754,0.0365149,0.017401],[-0.19295,0.00160891,0.00222108,0.00219988],[-0.282485,0.0341542,0.0212004,0.00948881],[-0.144136,0.0118155,0.00747393,0.00348338],[-0.032837,-0.00418518,-0.00253151,-0.00106347]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.94
S298 (cal/mol*K) = -0.72
G298 (kcal/mol) = 11.16

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(320); C7H11(40)(+M)=>C7H11(320)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.064e+01 1.894e+00 -6.896e-02 -3.418e-02 / CHEB/ 1.488e+01 5.708e-02 3.651e-02 1.740e-02 / CHEB/ -1.929e-01 1.609e-03 2.221e-03 2.200e-03 / CHEB/ -2.825e-01 3.415e-02 2.120e-02 9.489e-03 / CHEB/ -1.441e-01 1.182e-02 7.474e-03 3.483e-03 / CHEB/ -3.284e-02 -4.185e-03 -2.532e-03 -1.063e-03 /

2982.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-44.8	-17.6	-8.9	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-43.8	-16.6	-7.9	-3.8

Chebyshev(coeffs=[[-42.452,1.99391,-0.0042307,-0.00234113],[37.999,0.00149387,0.00103592,0.000571622],[0.00830466,0.00151634,0.00105157,0.000580311],[-0.205634,0.00055712,0.0003879,0.000215477],[-0.11244,0.000294375,0.000204975,0.000113876],[-0.0129803,8.97577e-05,6.22036e-05,3.42881e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 123.11
S298 (cal/mol*K) = 22.59
G298 (kcal/mol) = 116.37

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(321); C7H11(40)(+M)=>H(25)+C7H10(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.245e+01 1.994e+00 -4.231e-03 -2.341e-03 / CHEB/ 3.800e+01 1.494e-03 1.036e-03 5.716e-04 / CHEB/ 8.305e-03 1.516e-03 1.052e-03 5.803e-04 / CHEB/ -2.056e-01 5.571e-04 3.879e-04 2.155e-04 / CHEB/ -1.124e-01 2.944e-04 2.050e-04 1.139e-04 / CHEB/ -1.298e-02 8.976e-05 6.220e-05 3.429e-05 /

2983.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-2.7	-0.2	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-2.1	+0.6	+1.6

Chebyshev(coeffs=[[-11.394,0.797092,-0.26441,-0.0302197],[12.2732,0.955864,0.0676697,-0.0232262],[0.245475,0.105973,0.0721717,-0.00356409],[-0.350577,-0.0174875,0.0416128,0.0221313],[-0.181494,-0.0148682,-0.000349588,0.00766087],[-0.0328634,0.00451613,-0.00613092,-0.00332485]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.38
S298 (cal/mol*K) = -0.54
G298 (kcal/mol) = 30.54

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H10(1); C7H11(40), H(25); C7H11(40)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.139e+01 7.971e-01 -2.644e-01 -3.022e-02 / CHEB/ 1.227e+01 9.559e-01 6.767e-02 -2.323e-02 / CHEB/ 2.455e-01 1.060e-01 7.217e-02 -3.564e-03 / CHEB/ -3.506e-01 -1.749e-02 4.161e-02 2.213e-02 / CHEB/ -1.815e-01 -1.487e-02 -3.496e-04 7.661e-03 / CHEB/ -3.286e-02 4.516e-03 -6.131e-03 -3.325e-03 /

2984.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.9	-5.9	-1.3	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-20.0	-4.9	-0.3	+1.7

Chebyshev(coeffs=[[-19.5676,1.77523,-0.138074,-0.0607521],[20.5659,0.155537,0.0916104,0.0365174],[0.109869,0.0124647,0.00885662,0.00503022],[-0.235631,-0.00244155,2.82473e-05,0.00146384],[-0.13884,0.00237815,0.00130794,0.000438335],[-0.0300438,0.00218501,0.000969817,7.52236e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.21
S298 (cal/mol*K) = 20.10
G298 (kcal/mol) = 53.22

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(264); C7H11(40)(+M)=>H(25)+C7H10(264)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.957e+01 1.775e+00 -1.381e-01 -6.075e-02 / CHEB/ 2.057e+01 1.555e-01 9.161e-02 3.652e-02 / CHEB/ 1.099e-01 1.246e-02 8.857e-03 5.030e-03 / CHEB/ -2.356e-01 -2.442e-03 2.825e-05 1.464e-03 / CHEB/ -1.388e-01 2.378e-03 1.308e-03 4.383e-04 / CHEB/ -3.004e-02 2.185e-03 9.698e-04 7.522e-05 /

2985.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.6	-13.4	-6.3	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-34.6	-12.4	-5.4	-2.1

Chebyshev(coeffs=[[-33.4838,1.97913,-0.0143864,-0.00786148],[30.5957,0.0036132,0.00251738,0.00140009],[0.151708,-0.000787493,-0.000519448,-0.000261936],[-0.207661,-0.000232603,-0.000140413,-5.83657e-05],[-0.1261,0.000714591,0.00050073,0.000280645],[-0.0198009,0.00058514,0.000402175,0.000218399]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.15
S298 (cal/mol*K) = 20.52
G298 (kcal/mol) = 90.04

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(32); C7H11(40)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.348e+01 1.979e+00 -1.439e-02 -7.861e-03 / CHEB/ 3.060e+01 3.613e-03 2.517e-03 1.400e-03 / CHEB/ 1.517e-01 -7.875e-04 -5.194e-04 -2.619e-04 / CHEB/ -2.077e-01 -2.326e-04 -1.404e-04 -5.837e-05 / CHEB/ -1.261e-01 7.146e-04 5.007e-04 2.806e-04 / CHEB/ -1.980e-02 5.851e-04 4.022e-04 2.184e-04 /

2986.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.3	-14.1	-7.0	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-35.3	-13.1	-6.0	-2.7

Chebyshev(coeffs=[[-34.1787,1.97889,-0.0145548,-0.00795243],[30.5999,0.00393481,0.00273808,0.00151977],[0.218136,-0.00107583,-0.000716554,-0.000368115],[-0.231465,-5.09724e-05,-1.57959e-05,9.1837e-06],[-0.118709,0.000723808,0.000506975,0.000283954],[-0.00618033,0.000471294,0.000324152,0.000176183]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.15
S298 (cal/mol*K) = 19.14
G298 (kcal/mol) = 90.45

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(34); C7H11(40)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.418e+01 1.979e+00 -1.455e-02 -7.952e-03 / CHEB/ 3.060e+01 3.935e-03 2.738e-03 1.520e-03 / CHEB/ 2.181e-01 -1.076e-03 -7.166e-04 -3.681e-04 / CHEB/ -2.315e-01 -5.097e-05 -1.580e-05 9.184e-06 / CHEB/ -1.187e-01 7.238e-04 5.070e-04 2.840e-04 / CHEB/ -6.180e-03 4.713e-04 3.242e-04 1.762e-04 /

2987.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	+1.3	+3.0	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-7.7	+1.5	+3.6	+4.1

Chebyshev(coeffs=[[-6.83689,-0.264109,-0.449773,-0.0294665],[10.7604,1.68863,0.0845417,-0.0573443],[-0.0882278,0.307,0.132767,-0.00855096],[-0.452651,0.0262598,0.0762174,0.0238097],[-0.231125,-0.0418167,0.0123096,0.0162105],[-0.0570738,-0.023159,-0.00773735,0.00335869]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.39
S298 (cal/mol*K) = 5.86
G298 (kcal/mol) = 6.64

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(269); C7H11(40)(+M)=>C7H11(269)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.837e+00 -2.641e-01 -4.498e-01 -2.947e-02 / CHEB/ 1.076e+01 1.689e+00 8.454e-02 -5.734e-02 / CHEB/ -8.823e-02 3.070e-01 1.328e-01 -8.551e-03 / CHEB/ -4.527e-01 2.626e-02 7.622e-02 2.381e-02 / CHEB/ -2.311e-01 -4.182e-02 1.231e-02 1.621e-02 / CHEB/ -5.707e-02 -2.316e-02 -7.737e-03 3.359e-03 /

2988.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-2.1	+1.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-13.8	-1.4	+2.1	+3.5

Chebyshev(coeffs=[[-13.2934,0.974057,-0.47689,-0.104864],[16.1919,0.772882,0.311462,0.0281566],[0.122975,0.142213,0.0768224,0.0225488],[-0.320181,0.032283,0.0243149,0.0135577],[-0.169004,-0.026544,-0.00369699,0.00639419],[-0.0328158,-0.0230832,-0.00737172,0.00136646]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.46
S298 (cal/mol*K) = 37.24
G298 (kcal/mol) = 35.36

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H10(146); C7H11(40), H(25); C7H11(40)(+M)=>C7H10(146)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.329e+01 9.741e-01 -4.769e-01 -1.049e-01 / CHEB/ 1.619e+01 7.729e-01 3.115e-01 2.816e-02 / CHEB/ 1.230e-01 1.422e-01 7.682e-02 2.255e-02 / CHEB/ -3.202e-01 3.228e-02 2.431e-02 1.356e-02 / CHEB/ -1.690e-01 -2.654e-02 -3.697e-03 6.394e-03 / CHEB/ -3.282e-02 -2.308e-02 -7.372e-03 1.366e-03 /

2989.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-3.7	-0.2	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-3.0	+0.7	+2.1

Chebyshev(coeffs=[[-15.1166,1.02418,-0.463256,-0.107839],[16.5675,0.736992,0.307272,0.0346559],[0.148695,0.138141,0.0742533,0.02217],[-0.299045,0.0304397,0.0228361,0.0127801],[-0.163237,-0.026153,-0.00412727,0.00598126],[-0.0335747,-0.0224695,-0.00742957,0.00119898]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.25
S298 (cal/mol*K) = 16.62
G298 (kcal/mol) = 5.30

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(270); C7H11(40)(+M)=>C7H11(270)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.512e+01 1.024e+00 -4.633e-01 -1.078e-01 / CHEB/ 1.657e+01 7.370e-01 3.073e-01 3.466e-02 / CHEB/ 1.487e-01 1.381e-01 7.425e-02 2.217e-02 / CHEB/ -2.990e-01 3.044e-02 2.284e-02 1.278e-02 / CHEB/ -1.632e-01 -2.615e-02 -4.127e-03 5.981e-03 / CHEB/ -3.357e-02 -2.247e-02 -7.430e-03 1.199e-03 /

2990.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-1.6	+1.2	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-1.0	+2.0	+3.1

Chebyshev(coeffs=[[-11.4198,0.532799,-0.527132,-0.059606],[13.9323,1.17105,0.30564,-0.0350065],[0.139236,0.168123,0.105974,0.0243129],[-0.343596,0.0192605,0.0340647,0.0223631],[-0.182615,-0.0312617,-0.00248526,0.0088544],[-0.037746,-0.0218638,-0.00768504,0.000892604]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.14
S298 (cal/mol*K) = 11.29
G298 (kcal/mol) = -14.50

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(271); C7H11(40)(+M)=>C7H11(271)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.142e+01 5.328e-01 -5.271e-01 -5.961e-02 / CHEB/ 1.393e+01 1.171e+00 3.056e-01 -3.501e-02 / CHEB/ 1.392e-01 1.681e-01 1.060e-01 2.431e-02 / CHEB/ -3.436e-01 1.926e-02 3.406e-02 2.236e-02 / CHEB/ -1.826e-01 -3.126e-02 -2.485e-03 8.854e-03 / CHEB/ -3.775e-02 -2.186e-02 -7.685e-03 8.926e-04 /

2991.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-0.0	+2.2	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-9.7	+0.4	+3.0	+3.8

Chebyshev(coeffs=[[-8.84239,0.0885492,-0.491918,-0.0320287],[12.1287,1.53533,0.196452,-0.0629925],[0.0967339,0.216743,0.136654,0.00932271],[-0.38052,0.0102385,0.0543276,0.02768],[-0.199258,-0.0381556,0.00183608,0.0131499],[-0.0439062,-0.0210941,-0.00903899,0.00142485]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.80
S298 (cal/mol*K) = 13.30
G298 (kcal/mol) = 16.84

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(272); C7H11(40)(+M)=>C7H11(272)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.842e+00 8.855e-02 -4.919e-01 -3.203e-02 / CHEB/ 1.213e+01 1.535e+00 1.965e-01 -6.299e-02 / CHEB/ 9.673e-02 2.167e-01 1.367e-01 9.323e-03 / CHEB/ -3.805e-01 1.024e-02 5.433e-02 2.768e-02 / CHEB/ -1.993e-01 -3.816e-02 1.836e-03 1.315e-02 / CHEB/ -4.391e-02 -2.109e-02 -9.039e-03 1.425e-03 /

2992.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-0.5	+1.6	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-0.1	+2.3	+2.9

Chebyshev(coeffs=[[-8.95216,-0.0581246,-0.47519,-0.0299023],[11.5275,1.6131,0.149349,-0.062172],[0.0173629,0.248709,0.139539,0.00107953],[-0.409664,0.015247,0.0628247,0.027282],[-0.212512,-0.0407595,0.00597146,0.0145325],[-0.0502376,-0.0215748,-0.00879958,0.00215104]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.60
S298 (cal/mol*K) = 12.20
G298 (kcal/mol) = 7.97

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(273); C7H11(40)(+M)=>C7H11(273)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.952e+00 -5.812e-02 -4.752e-01 -2.990e-02 / CHEB/ 1.153e+01 1.613e+00 1.493e-01 -6.217e-02 / CHEB/ 1.736e-02 2.487e-01 1.395e-01 1.080e-03 / CHEB/ -4.097e-01 1.525e-02 6.282e-02 2.728e-02 / CHEB/ -2.125e-01 -4.076e-02 5.971e-03 1.453e-02 / CHEB/ -5.024e-02 -2.157e-02 -8.800e-03 2.151e-03 /

2993.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-1.7	+0.5	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-1.3	+1.3	+2.1

Chebyshev(coeffs=[[-10.5962,0.111848,-0.496972,-0.032542],[12.2073,1.51122,0.204055,-0.0632798],[0.0881173,0.215308,0.134463,0.010339],[-0.383608,0.0107313,0.0533881,0.0274736],[-0.200379,-0.0373119,0.00163957,0.0129615],[-0.0442745,-0.020658,-0.00893648,0.00137827]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.60
S298 (cal/mol*K) = 12.20
G298 (kcal/mol) = 7.97

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(274); C7H11(40)(+M)=>C7H11(274)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.060e+01 1.118e-01 -4.970e-01 -3.254e-02 / CHEB/ 1.221e+01 1.511e+00 2.041e-01 -6.328e-02 / CHEB/ 8.812e-02 2.153e-01 1.345e-01 1.034e-02 / CHEB/ -3.836e-01 1.073e-02 5.339e-02 2.747e-02 / CHEB/ -2.004e-01 -3.731e-02 1.640e-03 1.296e-02 / CHEB/ -4.427e-02 -2.066e-02 -8.936e-03 1.378e-03 /

2994.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-6.5	-2.4	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-19.7	-5.7	-1.4	+0.4

Chebyshev(coeffs=[[-19.0621,1.27324,-0.381931,-0.116253],[18.5955,0.536647,0.260831,0.0591188],[0.256019,0.115672,0.0613835,0.0189882],[-0.242372,0.0321566,0.0195637,0.00866576],[-0.141466,-0.0240949,-0.00537365,0.00454425],[-0.0275195,-0.0226193,-0.0082158,0.000770249]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.00
S298 (cal/mol*K) = 12.88
G298 (kcal/mol) = 19.16

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(275); C7H11(40)(+M)=>C7H11(275)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.906e+01 1.273e+00 -3.819e-01 -1.163e-01 / CHEB/ 1.860e+01 5.366e-01 2.608e-01 5.912e-02 / CHEB/ 2.560e-01 1.157e-01 6.138e-02 1.899e-02 / CHEB/ -2.424e-01 3.216e-02 1.956e-02 8.666e-03 / CHEB/ -1.415e-01 -2.409e-02 -5.374e-03 4.544e-03 / CHEB/ -2.752e-02 -2.262e-02 -8.216e-03 7.702e-04 /

2995.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.3	-5.5	-0.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-22.5	-4.7	+0.7	+2.9

Chebyshev(coeffs=[[-21.9846,1.70841,-0.177894,-0.0771149],[24.4959,0.142834,0.0850712,0.0347844],[-0.0984029,0.0856982,0.0475956,0.0162377],[-0.308754,0.0361519,0.0206587,0.00766462],[-0.166423,-0.0162564,-0.00608807,0.000888544],[-0.0418066,-0.0182903,-0.00852203,-0.00126014]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.08
S298 (cal/mol*K) = 53.43
G298 (kcal/mol) = 63.16

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C5H7(210); C7H11(40), C2H4(72); C7H11(40)(+M)=>C5H7(210)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.198e+01 1.708e+00 -1.779e-01 -7.711e-02 / CHEB/ 2.450e+01 1.428e-01 8.507e-02 3.478e-02 / CHEB/ -9.840e-02 8.570e-02 4.760e-02 1.624e-02 / CHEB/ -3.088e-01 3.615e-02 2.066e-02 7.665e-03 / CHEB/ -1.664e-01 -1.626e-02 -6.088e-03 8.885e-04 / CHEB/ -4.181e-02 -1.829e-02 -8.522e-03 -1.260e-03 /

2996.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.1	-13.9	-6.2	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-38.2	-13.0	-5.2	-1.8

Chebyshev(coeffs=[[-37.0906,1.88464,-0.0754203,-0.037507],[34.9898,0.0400671,0.0259799,0.0127043],[-0.147506,0.0455393,0.0284589,0.0129199],[-0.321382,0.0228026,0.0143722,0.0066463],[-0.168464,-0.0101189,-0.0056362,-0.0018889],[-0.0426124,-0.0119331,-0.00699484,-0.00272638]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 113.22
S298 (cal/mol*K) = 56.40
G298 (kcal/mol) = 96.42

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C3H6(276); C7H11(40), C4H5(99); C7H11(40)(+M)=>C3H6(276)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.709e+01 1.885e+00 -7.542e-02 -3.751e-02 / CHEB/ 3.499e+01 4.007e-02 2.598e-02 1.270e-02 / CHEB/ -1.475e-01 4.554e-02 2.846e-02 1.292e-02 / CHEB/ -3.214e-01 2.280e-02 1.437e-02 6.646e-03 / CHEB/ -1.685e-01 -1.012e-02 -5.636e-03 -1.889e-03 / CHEB/ -4.261e-02 -1.193e-02 -6.995e-03 -2.726e-03 /

2997.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.9	-11.0	-4.6	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-31.0	-10.1	-3.6	-0.7

Chebyshev(coeffs=[[-30.1583,1.79914,-0.126342,-0.0582944],[28.872,0.0858124,0.0529661,0.0234237],[0.0208235,0.0682907,0.0399814,0.015644],[-0.229088,0.0309756,0.0184855,0.0075958],[-0.148395,-0.0140487,-0.00646558,-0.000770568],[-0.051648,-0.0158798,-0.00825829,-0.00219685]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.96
S298 (cal/mol*K) = 42.12
G298 (kcal/mol) = 77.41

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H10(18); C7H11(40), H(25); C7H11(40)(+M)=>C7H10(18)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.016e+01 1.799e+00 -1.263e-01 -5.829e-02 / CHEB/ 2.887e+01 8.581e-02 5.297e-02 2.342e-02 / CHEB/ 2.082e-02 6.829e-02 3.998e-02 1.564e-02 / CHEB/ -2.291e-01 3.098e-02 1.849e-02 7.596e-03 / CHEB/ -1.484e-01 -1.405e-02 -6.466e-03 -7.706e-04 / CHEB/ -5.165e-02 -1.588e-02 -8.258e-03 -2.197e-03 /

2998.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.9	-11.5	-5.2	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-31.1	-10.6	-4.2	-1.4

Chebyshev(coeffs=[[-30.2611,1.78729,-0.133193,-0.060899],[28.245,0.0930007,0.0570943,0.0249593],[0.0172534,0.0709379,0.0412129,0.0158221],[-0.228644,0.0317734,0.0188419,0.00763097],[-0.148617,-0.0144419,-0.00647184,-0.000562301],[-0.0522696,-0.0162675,-0.00833188,-0.00208175]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.39
S298 (cal/mol*K) = 38.28
G298 (kcal/mol) = 77.98

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(89); C7H11(40)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.026e+01 1.787e+00 -1.332e-01 -6.090e-02 / CHEB/ 2.825e+01 9.300e-02 5.709e-02 2.496e-02 / CHEB/ 1.725e-02 7.094e-02 4.121e-02 1.582e-02 / CHEB/ -2.286e-01 3.177e-02 1.884e-02 7.631e-03 / CHEB/ -1.486e-01 -1.444e-02 -6.472e-03 -5.623e-04 / CHEB/ -5.227e-02 -1.627e-02 -8.332e-03 -2.082e-03 /

2999.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-46.0	-18.3	-9.6	-5.5
log₁₀(k(10 bar)/[mole,m,s])	-45.0	-17.4	-8.6	-4.5

Chebyshev(coeffs=[[-43.5451,1.90115,-0.0651826,-0.0329336],[38.3505,0.0327877,0.0215015,0.0107444],[0.0856367,0.0403026,0.0255552,0.0119572],[-0.254699,0.0205354,0.0131071,0.00621742],[-0.145774,-0.00911626,-0.0052631,-0.00196217],[-0.0343737,-0.0108451,-0.00651672,-0.00270199]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 121.90
S298 (cal/mol*K) = 44.13
G298 (kcal/mol) = 108.75

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(95); C7H11(40)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.355e+01 1.901e+00 -6.518e-02 -3.293e-02 / CHEB/ 3.835e+01 3.279e-02 2.150e-02 1.074e-02 / CHEB/ 8.564e-02 4.030e-02 2.556e-02 1.196e-02 / CHEB/ -2.547e-01 2.054e-02 1.311e-02 6.217e-03 / CHEB/ -1.458e-01 -9.116e-03 -5.263e-03 -1.962e-03 / CHEB/ -3.437e-02 -1.085e-02 -6.517e-03 -2.702e-03 /

3000.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-45.5	-16.3	-7.2	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-44.5	-15.4	-6.3	-2.1

Chebyshev(coeffs=[[-43.0235,1.91771,-0.0547427,-0.0281068],[40.5038,0.0259013,0.0171841,0.00877521],[-0.0696108,0.0347637,0.0223747,0.0107873],[-0.301161,0.0179591,0.0116143,0.00565346],[-0.161107,-0.00800875,-0.00478846,-0.00195729],[-0.0395455,-0.00960991,-0.0059205,-0.00260112]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 130.05
S298 (cal/mol*K) = 60.14
G298 (kcal/mol) = 112.13

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C5H8(277); C7H11(40), C2H3(100); C7H11(40)(+M)=>C5H8(277)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.302e+01 1.918e+00 -5.474e-02 -2.811e-02 / CHEB/ 4.050e+01 2.590e-02 1.718e-02 8.775e-03 / CHEB/ -6.961e-02 3.476e-02 2.237e-02 1.079e-02 / CHEB/ -3.012e-01 1.796e-02 1.161e-02 5.653e-03 / CHEB/ -1.611e-01 -8.009e-03 -4.788e-03 -1.957e-03 / CHEB/ -3.955e-02 -9.610e-03 -5.921e-03 -2.601e-03 /

3001.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.1	-15.2	-7.1	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-40.2	-14.3	-6.1	-2.4

Chebyshev(coeffs=[[-38.8028,1.88226,-0.0768885,-0.0381504],[35.7801,0.0411639,0.0266482,0.0129904],[0.0924239,0.0462667,0.028854,0.0130424],[-0.250521,0.0231105,0.0145405,0.00669971],[-0.145061,-0.0102566,-0.0056831,-0.00187295],[-0.0344327,-0.0120799,-0.00705575,-0.00272481]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 112.70
S298 (cal/mol*K) = 43.03
G298 (kcal/mol) = 99.88

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(96); C7H11(40)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.880e+01 1.882e+00 -7.689e-02 -3.815e-02 / CHEB/ 3.578e+01 4.116e-02 2.665e-02 1.299e-02 / CHEB/ 9.242e-02 4.627e-02 2.885e-02 1.304e-02 / CHEB/ -2.505e-01 2.311e-02 1.454e-02 6.700e-03 / CHEB/ -1.451e-01 -1.026e-02 -5.683e-03 -1.873e-03 / CHEB/ -3.443e-02 -1.208e-02 -7.056e-03 -2.725e-03 /

3002.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.1	-15.2	-7.1	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-40.2	-14.3	-6.1	-2.4

H298 (kcal/mol) = 112.70
S298 (cal/mol*K) = 43.03
G298 (kcal/mol) = 99.88

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(97); C7H11(40)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.880e+01 1.882e+00 -7.689e-02 -3.815e-02 / CHEB/ 3.578e+01 4.116e-02 2.665e-02 1.299e-02 / CHEB/ 9.242e-02 4.627e-02 2.885e-02 1.304e-02 / CHEB/ -2.505e-01 2.311e-02 1.454e-02 6.700e-03 / CHEB/ -1.451e-01 -1.026e-02 -5.683e-03 -1.873e-03 / CHEB/ -3.443e-02 -1.208e-02 -7.056e-03 -2.725e-03 /

3003.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-46.0	-17.8	-8.9	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-45.0	-16.8	-7.9	-3.7

Chebyshev(coeffs=[[-43.4816,1.90514,-0.0626859,-0.0317945],[39.085,0.0310802,0.0204389,0.0102674],[0.107516,0.0390148,0.0248267,0.0117006],[-0.247943,0.019937,0.0127649,0.00609277],[-0.143755,-0.00885759,-0.00515734,-0.00196804],[-0.0336072,-0.0105606,-0.00638389,-0.00268495]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 124.10
S298 (cal/mol*K) = 43.71
G298 (kcal/mol) = 111.07

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(37); C7H11(40)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.348e+01 1.905e+00 -6.269e-02 -3.179e-02 / CHEB/ 3.908e+01 3.108e-02 2.044e-02 1.027e-02 / CHEB/ 1.075e-01 3.901e-02 2.483e-02 1.170e-02 / CHEB/ -2.479e-01 1.994e-02 1.276e-02 6.093e-03 / CHEB/ -1.438e-01 -8.858e-03 -5.157e-03 -1.968e-03 / CHEB/ -3.361e-02 -1.056e-02 -6.384e-03 -2.685e-03 /

3004.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-0.3	+1.6	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-9.6	+0.0	+2.3	+2.9

Chebyshev(coeffs=[[-8.71573,-0.108271,-0.476289,-0.0288727],[11.3426,1.60851,0.134221,-0.0631442],[-0.0395879,0.264673,0.135939,-0.00198854],[-0.43505,0.0214187,0.0658319,0.026405],[-0.22336,-0.0400339,0.00840163,0.0149442],[-0.0545561,-0.0213767,-0.00812266,0.00251645]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.68
S298 (cal/mol*K) = 9.01
G298 (kcal/mol) = -1.00

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(278); C7H11(40)(+M)=>C7H11(278)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.716e+00 -1.083e-01 -4.763e-01 -2.887e-02 / CHEB/ 1.134e+01 1.609e+00 1.342e-01 -6.314e-02 / CHEB/ -3.959e-02 2.647e-01 1.359e-01 -1.989e-03 / CHEB/ -4.350e-01 2.142e-02 6.583e-02 2.640e-02 / CHEB/ -2.234e-01 -4.003e-02 8.402e-03 1.494e-02 / CHEB/ -5.456e-02 -2.138e-02 -8.123e-03 2.516e-03 /

3005.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.8	-5.2	-1.2	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-18.3	-4.4	-0.3	+1.4

Chebyshev(coeffs=[[-17.8286,1.295,-0.376328,-0.119138],[18.5882,0.484414,0.240793,0.0587902],[0.0886967,0.126882,0.0645228,0.0176832],[-0.291318,0.0361873,0.0212435,0.00874746],[-0.160659,-0.0225773,-0.0044408,0.00497557],[-0.0354035,-0.0215594,-0.00750868,0.00110414]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.96
S298 (cal/mol*K) = 14.07
G298 (kcal/mol) = 5.77

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(279); C7H11(40)(+M)=>C7H11(279)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.783e+01 1.295e+00 -3.763e-01 -1.191e-01 / CHEB/ 1.859e+01 4.844e-01 2.408e-01 5.879e-02 / CHEB/ 8.870e-02 1.269e-01 6.452e-02 1.768e-02 / CHEB/ -2.913e-01 3.619e-02 2.124e-02 8.747e-03 / CHEB/ -1.607e-01 -2.258e-02 -4.441e-03 4.976e-03 / CHEB/ -3.540e-02 -2.156e-02 -7.509e-03 1.104e-03 /

3006.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-2.0	+0.6	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-1.5	+1.4	+2.4

Chebyshev(coeffs=[[-11.995,0.574711,-0.538046,-0.067336],[13.9805,1.0802,0.306158,-0.0281194],[0.00796024,0.18345,0.100232,0.0213038],[-0.379215,0.027036,0.0351753,0.0213206],[-0.199069,-0.0294907,-0.000793266,0.00922207],[-0.0458897,-0.0211905,-0.00680629,0.00128422]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.10
S298 (cal/mol*K) = 10.10
G298 (kcal/mol) = 22.09

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C7H11(280); C7H11(40)(+M)=>C7H11(280)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.200e+01 5.747e-01 -5.380e-01 -6.734e-02 / CHEB/ 1.398e+01 1.080e+00 3.062e-01 -2.812e-02 / CHEB/ 7.960e-03 1.835e-01 1.002e-01 2.130e-02 / CHEB/ -3.792e-01 2.704e-02 3.518e-02 2.132e-02 / CHEB/ -1.991e-01 -2.949e-02 -7.933e-04 9.222e-03 / CHEB/ -4.589e-02 -2.119e-02 -6.806e-03 1.284e-03 /

3007.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-42.8	-15.7	-7.2	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-41.9	-14.7	-6.2	-2.3

Chebyshev(coeffs=[[-40.4788,1.89824,-0.0670008,-0.0337571],[37.6119,0.0340276,0.02227,0.0110862],[0.0195951,0.0412637,0.0260964,0.0121454],[-0.273173,0.0209481,0.0133403,0.00629953],[-0.152272,-0.00929819,-0.00533438,-0.00195372],[-0.0367632,-0.0110447,-0.00660739,-0.00271049]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.39
S298 (cal/mol*K) = 52.12
G298 (kcal/mol) = 95.86

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), C6H9(281); C7H11(40), CH2(T)(82); C7H11(40)(+M)=>C6H9(281)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.048e+01 1.898e+00 -6.700e-02 -3.376e-02 / CHEB/ 3.761e+01 3.403e-02 2.227e-02 1.109e-02 / CHEB/ 1.960e-02 4.126e-02 2.610e-02 1.215e-02 / CHEB/ -2.732e-01 2.095e-02 1.334e-02 6.300e-03 / CHEB/ -1.523e-01 -9.298e-03 -5.334e-03 -1.954e-03 / CHEB/ -3.676e-02 -1.104e-02 -6.607e-03 -2.710e-03 /

3008.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-47.5	-19.4	-10.4	-6.2
log₁₀(k(10 bar)/[mole,m,s])	-46.5	-18.4	-9.4	-5.2

Chebyshev(coeffs=[[-44.9041,1.9046,-0.063016,-0.0319373],[38.884,0.032304,0.0212255,0.0106457],[0.195599,0.0389921,0.0248136,0.0116959],[-0.266312,0.0199225,0.0127574,0.00609095],[-0.139419,-0.00898333,-0.00523026,-0.00199565],[-0.0168347,-0.0106412,-0.00643483,-0.00270874]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 123.10
S298 (cal/mol*K) = 41.09
G298 (kcal/mol) = 110.86

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(282); C7H11(40)(+M)=>H(25)+C7H10(282)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.490e+01 1.905e+00 -6.302e-02 -3.194e-02 / CHEB/ 3.888e+01 3.230e-02 2.123e-02 1.065e-02 / CHEB/ 1.956e-01 3.899e-02 2.481e-02 1.170e-02 / CHEB/ -2.663e-01 1.992e-02 1.276e-02 6.091e-03 / CHEB/ -1.394e-01 -8.983e-03 -5.230e-03 -1.996e-03 / CHEB/ -1.683e-02 -1.064e-02 -6.435e-03 -2.709e-03 /

3010.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-3.1	-0.9	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-3.1	-0.9	+0.6

Chebyshev(coeffs=[[0.0475889,-8.37797e-07,-5.83169e-07,-3.23808e-07],[5.17731,2.88446e-07,2.0078e-07,1.11484e-07],[0.963158,1.62527e-07,1.13131e-07,6.28162e-08],[0.258558,1.65318e-07,1.15073e-07,6.38951e-08],[0.0933605,5.44805e-08,3.79226e-08,2.10569e-08],[0.0328304,-3.52068e-08,-2.45064e-08,-1.36072e-08]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.22
S298 (cal/mol*K) = -29.99
G298 (kcal/mol) = -11.28

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(322); C7H9(5), S(322); O2(2)+C7H9(5)(+M)=>S(322)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.759e-02 -8.378e-07 -5.832e-07 -3.238e-07 / CHEB/ 5.177e+00 2.884e-07 2.008e-07 1.115e-07 / CHEB/ 9.632e-01 1.625e-07 1.131e-07 6.282e-08 / CHEB/ 2.586e-01 1.653e-07 1.151e-07 6.390e-08 / CHEB/ 9.336e-02 5.448e-08 3.792e-08 2.106e-08 / CHEB/ 3.283e-02 -3.521e-08 -2.451e-08 -1.361e-08 /

3011.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-4.2	-1.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-4.2	-1.9	-0.6

Chebyshev(coeffs=[[-2.95667,-2.54938e-07,-1.77456e-07,-9.85339e-08],[7.72544,-2.44745e-07,-1.70361e-07,-9.45943e-08],[0.431806,3.21875e-08,2.24049e-08,1.24405e-08],[0.10221,1.40857e-07,9.80473e-08,5.44415e-08],[0.0415745,9.76933e-08,6.80019e-08,3.77585e-08],[0.0145845,1.05921e-08,7.3729e-09,4.09386e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.92
S298 (cal/mol*K) = -43.20
G298 (kcal/mol) = 11.95

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(323); C7H9(5), S(323); O2(2)+C7H9(5)(+M)=>S(323)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.957e+00 -2.549e-07 -1.775e-07 -9.853e-08 / CHEB/ 7.725e+00 -2.447e-07 -1.704e-07 -9.459e-08 / CHEB/ 4.318e-01 3.219e-08 2.240e-08 1.244e-08 / CHEB/ 1.022e-01 1.409e-07 9.805e-08 5.444e-08 / CHEB/ 4.157e-02 9.769e-08 6.800e-08 3.776e-08 / CHEB/ 1.458e-02 1.059e-08 7.373e-09 4.094e-09 /

3012.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-5.4	-2.3	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-5.4	-2.3	-0.7

Chebyshev(coeffs=[[-6.64843,-1.52727e-07,-1.06309e-07,-5.9029e-08],[11.4846,-1.9316e-07,-1.34454e-07,-7.46566e-08],[0.364447,-3.09223e-08,-2.15242e-08,-1.19515e-08],[0.0822862,6.25511e-08,4.35402e-08,2.4176e-08],[0.0349606,6.49648e-08,4.52204e-08,2.51089e-08],[0.0122472,2.28557e-08,1.59093e-08,8.83376e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.10
S298 (cal/mol*K) = -46.18
G298 (kcal/mol) = 21.86

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(324); C7H9(5), S(324); O2(2)+C7H9(5)(+M)=>S(324)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.648e+00 -1.527e-07 -1.063e-07 -5.903e-08 / CHEB/ 1.148e+01 -1.932e-07 -1.345e-07 -7.466e-08 / CHEB/ 3.644e-01 -3.092e-08 -2.152e-08 -1.195e-08 / CHEB/ 8.229e-02 6.255e-08 4.354e-08 2.418e-08 / CHEB/ 3.496e-02 6.496e-08 4.522e-08 2.511e-08 / CHEB/ 1.225e-02 2.286e-08 1.591e-08 8.834e-09 /

3013.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	-0.9	-0.3	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-2.0	-0.9	-0.3	+0.2

Chebyshev(coeffs=[[4.27165,-4.14697e-05,-2.88498e-05,-1.60042e-05],[1.48005,3.55515e-05,2.47491e-05,1.37445e-05],[0.258988,1.74521e-05,1.21272e-05,6.71474e-06],[0.0986109,-6.18861e-06,-4.31896e-06,-2.40838e-06],[0.0403237,-8.15599e-06,-5.67034e-06,-3.14222e-06],[0.00995016,-9.67681e-07,-6.6397e-07,-3.59893e-07]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.94
S298 (cal/mol*K) = -32.18
G298 (kcal/mol) = -13.35

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(325); C7H9(5), S(325); O2(2)+C7H9(5)(+M)=>S(325)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.272e+00 -4.147e-05 -2.885e-05 -1.600e-05 / CHEB/ 1.480e+00 3.555e-05 2.475e-05 1.374e-05 / CHEB/ 2.590e-01 1.745e-05 1.213e-05 6.715e-06 / CHEB/ 9.861e-02 -6.189e-06 -4.319e-06 -2.408e-06 / CHEB/ 4.032e-02 -8.156e-06 -5.670e-06 -3.142e-06 / CHEB/ 9.950e-03 -9.677e-07 -6.640e-07 -3.599e-07 /

3014.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.1	-1.2	+0.2	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-4.1	-1.2	+0.2	+1.0

Chebyshev(coeffs=[[2.51392,-1.14326e-06,-7.95791e-07,-4.41868e-07],[3.8846,7.6967e-08,5.35755e-08,2.97488e-08],[0.444026,5.43174e-07,3.78088e-07,2.09935e-07],[0.105888,3.62651e-07,2.52431e-07,1.40163e-07],[0.0427977,5.79497e-08,4.03373e-08,2.23975e-08],[0.015017,-1.09116e-07,-7.59522e-08,-4.21722e-08]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.10
S298 (cal/mol*K) = -47.28
G298 (kcal/mol) = 12.99

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(326); C7H9(5), S(326); O2(2)+C7H9(5)(+M)=>S(326)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.514e+00 -1.143e-06 -7.958e-07 -4.419e-07 / CHEB/ 3.885e+00 7.697e-08 5.358e-08 2.975e-08 / CHEB/ 4.440e-01 5.432e-07 3.781e-07 2.099e-07 / CHEB/ 1.059e-01 3.627e-07 2.524e-07 1.402e-07 / CHEB/ 4.280e-02 5.795e-08 4.034e-08 2.240e-08 / CHEB/ 1.502e-02 -1.091e-07 -7.595e-08 -4.217e-08 /

3015.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-6.0	-3.5	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-6.0	-3.5	-2.1

Chebyshev(coeffs=[[-5.51796,-2.10011e-07,-1.46183e-07,-8.11694e-08],[8.82967,-2.25825e-07,-1.57191e-07,-8.72816e-08],[0.437946,3.45781e-09,2.40689e-09,1.33644e-09],[0.10406,1.08537e-07,7.55497e-08,4.19495e-08],[0.0421818,8.57527e-08,5.96903e-08,3.31435e-08],[0.0147963,1.68066e-08,1.16987e-08,6.49576e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.10
S298 (cal/mol*K) = -46.18
G298 (kcal/mol) = 21.86

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(327); C7H9(5), S(327); O2(2)+C7H9(5)(+M)=>S(327)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.518e+00 -2.100e-07 -1.462e-07 -8.117e-08 / CHEB/ 8.830e+00 -2.258e-07 -1.572e-07 -8.728e-08 / CHEB/ 4.379e-01 3.458e-09 2.407e-09 1.336e-09 / CHEB/ 1.041e-01 1.085e-07 7.555e-08 4.195e-08 / CHEB/ 4.218e-02 8.575e-08 5.969e-08 3.314e-08 / CHEB/ 1.480e-02 1.681e-08 1.170e-08 6.496e-09 /

3016.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-5.6	-2.8	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-5.6	-2.8	-1.2

Chebyshev(coeffs=[[-5.96882,-1.7531e-07,-1.22029e-07,-6.77576e-08],[10.1602,-2.07308e-07,-1.44302e-07,-8.01248e-08],[0.417384,-1.76946e-08,-1.23167e-08,-6.83896e-09],[0.0977915,8.14657e-08,5.67062e-08,3.14865e-08],[0.0401133,7.40844e-08,5.15683e-08,2.86337e-08],[0.0140661,2.07961e-08,1.44756e-08,8.0377e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.10
S298 (cal/mol*K) = -47.28
G298 (kcal/mol) = 12.99

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(328); C7H9(5), S(328); O2(2)+C7H9(5)(+M)=>S(328)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.969e+00 -1.753e-07 -1.220e-07 -6.776e-08 / CHEB/ 1.016e+01 -2.073e-07 -1.443e-07 -8.012e-08 / CHEB/ 4.174e-01 -1.769e-08 -1.232e-08 -6.839e-09 / CHEB/ 9.779e-02 8.147e-08 5.671e-08 3.149e-08 / CHEB/ 4.011e-02 7.408e-08 5.157e-08 2.863e-08 / CHEB/ 1.407e-02 2.080e-08 1.448e-08 8.038e-09 /

3017.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.2	-7.0	-1.8	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-22.2	-7.0	-1.8	+0.8

Chebyshev(coeffs=[[-14.9023,-8.4119e-08,-5.85531e-08,-3.25121e-08],[21.5491,-1.27148e-07,-8.85049e-08,-4.9143e-08],[0.0903175,-5.15046e-08,-3.58511e-08,-1.99066e-08],[0.0197824,6.62977e-09,4.61482e-09,2.56241e-09],[0.0143111,2.59719e-08,1.80784e-08,1.00382e-08],[0.00311028,1.75928e-08,1.2246e-08,6.79965e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.98
S298 (cal/mol*K) = -2.35
G298 (kcal/mol) = 68.68

! PDep reaction: PDepNetwork #30 ! Flux pairs: C7H9(5), S(329); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(329)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.490e+01 -8.412e-08 -5.855e-08 -3.251e-08 / CHEB/ 2.155e+01 -1.271e-07 -8.850e-08 -4.914e-08 / CHEB/ 9.032e-02 -5.150e-08 -3.585e-08 -1.991e-08 / CHEB/ 1.978e-02 6.630e-09 4.615e-09 2.562e-09 / CHEB/ 1.431e-02 2.597e-08 1.808e-08 1.004e-08 / CHEB/ 3.110e-03 1.759e-08 1.225e-08 6.800e-09 /

3018.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.9	-14.2	-7.5	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-33.9	-14.2	-7.5	-4.1

Chebyshev(coeffs=[[-26.1365,-7.02952e-08,-4.89308e-08,-2.71692e-08],[27.7703,-1.09718e-07,-7.63722e-08,-4.24063e-08],[0.184131,-5.0483e-08,-3.514e-08,-1.95117e-08],[0.0320519,-2.19829e-09,-1.53017e-09,-8.49646e-10],[0.0173822,1.71279e-08,1.19223e-08,6.61994e-09],[0.00515784,1.39437e-08,9.70591e-09,5.38927e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.28
S298 (cal/mol*K) = -15.56
G298 (kcal/mol) = 91.92

! PDep reaction: PDepNetwork #30 ! Flux pairs: C7H9(5), S(330); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(330)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.614e+01 -7.030e-08 -4.893e-08 -2.717e-08 / CHEB/ 2.777e+01 -1.097e-07 -7.637e-08 -4.241e-08 / CHEB/ 1.841e-01 -5.048e-08 -3.514e-08 -1.951e-08 / CHEB/ 3.205e-02 -2.198e-09 -1.530e-09 -8.496e-10 / CHEB/ 1.738e-02 1.713e-08 1.192e-08 6.620e-09 / CHEB/ 5.158e-03 1.394e-08 9.706e-09 5.389e-09 /

3019.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.3	-7.3	-2.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-22.3	-7.3	-2.2	+0.5

Chebyshev(coeffs=[[-14.9908,-8.60401e-08,-5.98904e-08,-3.32546e-08],[21.2797,-1.29586e-07,-9.02019e-08,-5.00853e-08],[0.103401,-5.1559e-08,-3.58889e-08,-1.99276e-08],[0.0407561,7.97918e-09,5.55411e-09,3.08396e-09],[0.0229568,2.72492e-08,1.89675e-08,1.05318e-08],[0.00457867,1.80549e-08,1.25676e-08,6.97824e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.26
S298 (cal/mol*K) = -4.54
G298 (kcal/mol) = 66.61

! PDep reaction: PDepNetwork #30 ! Flux pairs: C7H9(5), S(331); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(331)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.499e+01 -8.604e-08 -5.989e-08 -3.325e-08 / CHEB/ 2.128e+01 -1.296e-07 -9.020e-08 -5.009e-08 / CHEB/ 1.034e-01 -5.156e-08 -3.589e-08 -1.993e-08 / CHEB/ 4.076e-02 7.979e-09 5.554e-09 3.084e-09 / CHEB/ 2.296e-02 2.725e-08 1.897e-08 1.053e-08 / CHEB/ 4.579e-03 1.805e-08 1.257e-08 6.978e-09 /

3020.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.8	-17.2	-9.8	-6.1
log₁₀(k(10 bar)/[mole,m,s])	-38.8	-17.2	-9.8	-6.1

Chebyshev(coeffs=[[-30.8594,-6.61302e-08,-4.60316e-08,-2.55594e-08],[30.567,-1.04297e-07,-7.25985e-08,-4.03109e-08],[0.183118,-4.98862e-08,-3.47246e-08,-1.92811e-08],[0.0299064,-4.66454e-09,-3.24686e-09,-1.80286e-09],[0.0160242,1.44508e-08,1.00588e-08,5.58526e-09],[0.00438704,1.2687e-08,8.83109e-09,4.90352e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.30
S298 (cal/mol*K) = -18.54
G298 (kcal/mol) = 101.83

! PDep reaction: PDepNetwork #30 ! Flux pairs: C7H9(5), S(332); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(332)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.086e+01 -6.613e-08 -4.603e-08 -2.556e-08 / CHEB/ 3.057e+01 -1.043e-07 -7.260e-08 -4.031e-08 / CHEB/ 1.831e-01 -4.989e-08 -3.472e-08 -1.928e-08 / CHEB/ 2.991e-02 -4.665e-09 -3.247e-09 -1.803e-09 / CHEB/ 1.602e-02 1.445e-08 1.006e-08 5.585e-09 / CHEB/ 4.387e-03 1.269e-08 8.831e-09 4.904e-09 /

3021.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.8	-17.2	-9.8	-6.1
log₁₀(k(10 bar)/[mole,m,s])	-38.8	-17.2	-9.8	-6.1

H298 (kcal/mol) = 96.30
S298 (cal/mol*K) = -18.54
G298 (kcal/mol) = 101.83

! PDep reaction: PDepNetwork #30 ! Flux pairs: C7H9(5), S(333); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(333)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.086e+01 -6.613e-08 -4.603e-08 -2.556e-08 / CHEB/ 3.057e+01 -1.043e-07 -7.260e-08 -4.031e-08 / CHEB/ 1.831e-01 -4.989e-08 -3.472e-08 -1.928e-08 / CHEB/ 2.991e-02 -4.665e-09 -3.247e-09 -1.803e-09 / CHEB/ 1.602e-02 1.445e-08 1.006e-08 5.585e-09 / CHEB/ 4.387e-03 1.269e-08 8.831e-09 4.904e-09 /

3022.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-14.2	-7.4	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-34.1	-14.2	-7.4	-4.0

Chebyshev(coeffs=[[-26.2627,-6.99803e-08,-4.87115e-08,-2.70474e-08],[28.0276,-1.09308e-07,-7.60869e-08,-4.22479e-08],[0.203504,-5.04413e-08,-3.51109e-08,-1.94956e-08],[0.0362001,-2.38823e-09,-1.66238e-09,-9.23062e-10],[0.0187698,1.6925e-08,1.1781e-08,6.54152e-09],[0.00575684,1.38509e-08,9.64129e-09,5.35339e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.10
S298 (cal/mol*K) = -19.64
G298 (kcal/mol) = 92.95

! PDep reaction: PDepNetwork #30 ! Flux pairs: C7H9(5), S(334); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(334)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.626e+01 -6.998e-08 -4.871e-08 -2.705e-08 / CHEB/ 2.803e+01 -1.093e-07 -7.609e-08 -4.225e-08 / CHEB/ 2.035e-01 -5.044e-08 -3.511e-08 -1.950e-08 / CHEB/ 3.620e-02 -2.388e-09 -1.662e-09 -9.231e-10 / CHEB/ 1.877e-02 1.692e-08 1.178e-08 6.542e-09 / CHEB/ 5.757e-03 1.385e-08 9.641e-09 5.353e-09 /

3023.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-14.2	-7.4	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-34.1	-14.2	-7.4	-4.0

H298 (kcal/mol) = 87.10
S298 (cal/mol*K) = -19.64
G298 (kcal/mol) = 92.95

! PDep reaction: PDepNetwork #30 ! Flux pairs: C7H9(5), S(335); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(335)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.626e+01 -6.998e-08 -4.871e-08 -2.705e-08 / CHEB/ 2.803e+01 -1.093e-07 -7.609e-08 -4.225e-08 / CHEB/ 2.035e-01 -5.044e-08 -3.511e-08 -1.950e-08 / CHEB/ 3.620e-02 -2.388e-09 -1.662e-09 -9.231e-10 / CHEB/ 1.877e-02 1.692e-08 1.178e-08 6.542e-09 / CHEB/ 5.757e-03 1.385e-08 9.641e-09 5.353e-09 /

3024.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	-1.2	-0.3	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-3.3	-1.2	-0.3	+0.2

Chebyshev(coeffs=[[3.01375,-1.95844e-06,-1.36321e-06,-7.56927e-07],[2.90097,1.62664e-07,1.1323e-07,6.28759e-08],[0.202754,1.19959e-06,8.34996e-07,4.6363e-07],[0.0346894,6.5937e-07,4.58963e-07,2.54834e-07],[0.0192412,-1.76954e-08,-1.23182e-08,-6.8406e-09],[0.00671995,-2.71231e-07,-1.88793e-07,-1.04825e-07]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.11
S298 (cal/mol*K) = -78.57
G298 (kcal/mol) = 1.30

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(336); C7H9(5), S(336); O2(2)+C7H9(5)(+M)=>S(336)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.014e+00 -1.958e-06 -1.363e-06 -7.569e-07 / CHEB/ 2.901e+00 1.627e-07 1.132e-07 6.288e-08 / CHEB/ 2.028e-01 1.200e-06 8.350e-07 4.636e-07 / CHEB/ 3.469e-02 6.594e-07 4.590e-07 2.548e-07 / CHEB/ 1.924e-02 -1.770e-08 -1.232e-08 -6.841e-09 / CHEB/ 6.720e-03 -2.712e-07 -1.888e-07 -1.048e-07 /

3025.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.0	+4.0	+4.6
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+3.0	+4.0	+4.6

Chebyshev(coeffs=[[6.54783,-8.22037e-07,-5.72199e-07,-3.17717e-07],[3.84039,-3.2838e-07,-2.28576e-07,-1.26918e-07],[0.155292,4.47717e-07,3.11644e-07,1.73042e-07],[0.0207151,4.6229e-07,3.21787e-07,1.78674e-07],[0.0146142,1.44906e-07,1.00865e-07,5.60054e-08],[0.00508986,-9.82756e-08,-6.84068e-08,-3.7983e-08]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.86
S298 (cal/mol*K) = -78.23
G298 (kcal/mol) = 1.45

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(337); C7H9(5), S(337); O2(2)+C7H9(5)(+M)=>S(337)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.548e+00 -8.220e-07 -5.722e-07 -3.177e-07 / CHEB/ 3.840e+00 -3.284e-07 -2.286e-07 -1.269e-07 / CHEB/ 1.553e-01 4.477e-07 3.116e-07 1.730e-07 / CHEB/ 2.072e-02 4.623e-07 3.218e-07 1.787e-07 / CHEB/ 1.461e-02 1.449e-07 1.009e-07 5.601e-08 / CHEB/ 5.090e-03 -9.828e-08 -6.841e-08 -3.798e-08 /

3026.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	-1.0	-0.9	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-1.0	-1.0	-0.9	-0.7

Chebyshev(coeffs=[[4.87362,-9.79499e-05,-6.8049e-05,-3.76647e-05],[0.380194,3.5796e-05,2.50154e-05,1.398e-05],[-0.0702743,8.44912e-05,5.86659e-05,3.2441e-05],[0.063459,2.11791e-05,1.45487e-05,7.90169e-06],[0.0603994,-3.18667e-05,-2.22348e-05,-1.23943e-05],[0.0164219,-2.64955e-05,-1.83561e-05,-1.01132e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -40.93
S298 (cal/mol*K) = -89.19
G298 (kcal/mol) = -14.35

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(338); C7H9(5), S(338); O2(2)+C7H9(5)(+M)=>S(338)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.874e+00 -9.795e-05 -6.805e-05 -3.766e-05 / CHEB/ 3.802e-01 3.580e-05 2.502e-05 1.398e-05 / CHEB/ -7.027e-02 8.449e-05 5.867e-05 3.244e-05 / CHEB/ 6.346e-02 2.118e-05 1.455e-05 7.902e-06 / CHEB/ 6.040e-02 -3.187e-05 -2.223e-05 -1.239e-05 / CHEB/ 1.642e-02 -2.650e-05 -1.836e-05 -1.011e-05 /

3027.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.0	+0.7	+1.1	+1.3
log₁₀(k(10 bar)/[mole,m,s])	+0.0	+0.7	+1.1	+1.3

Chebyshev(coeffs=[[6.12824,-5.55445e-05,-3.86301e-05,-2.14195e-05],[1.00909,3.94744e-05,2.74905e-05,1.52765e-05],[0.0985519,3.22848e-05,2.24309e-05,1.24168e-05],[0.0578038,-3.70102e-06,-2.60944e-06,-1.47926e-06],[0.0320248,-1.46452e-05,-1.01883e-05,-5.65172e-06],[0.00635115,-4.93785e-06,-3.41493e-06,-1.87589e-06]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -41.75
S298 (cal/mol*K) = -89.07
G298 (kcal/mol) = -15.21

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(339); C7H9(5), S(339); O2(2)+C7H9(5)(+M)=>S(339)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.128e+00 -5.554e-05 -3.863e-05 -2.142e-05 / CHEB/ 1.009e+00 3.947e-05 2.749e-05 1.528e-05 / CHEB/ 9.855e-02 3.228e-05 2.243e-05 1.242e-05 / CHEB/ 5.780e-02 -3.701e-06 -2.609e-06 -1.479e-06 / CHEB/ 3.202e-02 -1.465e-05 -1.019e-05 -5.652e-06 / CHEB/ 6.351e-03 -4.938e-06 -3.415e-06 -1.876e-06 /

3028.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-5.8	-2.8	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-5.8	-2.8	-1.2

Chebyshev(coeffs=[[-7.47788,-1.49053e-07,-1.03752e-07,-5.7609e-08],[11.9549,-1.93946e-07,-1.35001e-07,-7.49602e-08],[0.245908,-3.65011e-08,-2.54075e-08,-1.41077e-08],[0.0469266,5.81167e-08,4.04536e-08,2.24622e-08],[0.0231515,6.42837e-08,4.47463e-08,2.48457e-08],[0.0080606,2.47585e-08,1.72338e-08,9.56918e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.98
S298 (cal/mol*K) = -45.58
G298 (kcal/mol) = 3.60

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(340); C7H9(5), S(340); O2(2)+C7H9(5)(+M)=>S(340)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.478e+00 -1.491e-07 -1.038e-07 -5.761e-08 / CHEB/ 1.195e+01 -1.939e-07 -1.350e-07 -7.496e-08 / CHEB/ 2.459e-01 -3.650e-08 -2.541e-08 -1.411e-08 / CHEB/ 4.693e-02 5.812e-08 4.045e-08 2.246e-08 / CHEB/ 2.315e-02 6.428e-08 4.475e-08 2.485e-08 / CHEB/ 8.061e-03 2.476e-08 1.723e-08 9.569e-09 /

3029.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.6	+0.1	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-1.6	+0.1	+1.0

Chebyshev(coeffs=[[0.726516,-3.98917e-07,-2.77676e-07,-1.54182e-07],[5.90763,-3.01549e-07,-2.09901e-07,-1.16549e-07],[0.287082,1.26095e-07,8.77717e-08,4.87358e-08],[0.059793,2.40623e-07,1.67492e-07,9.30009e-08],[0.0275436,1.3121e-07,9.13321e-08,5.07127e-08],[0.00964242,-1.07678e-08,-7.49515e-09,-4.16172e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.53
S298 (cal/mol*K) = -48.73
G298 (kcal/mol) = 1.99

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(341); C7H9(5), S(341); O2(2)+C7H9(5)(+M)=>S(341)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.265e-01 -3.989e-07 -2.777e-07 -1.542e-07 / CHEB/ 5.908e+00 -3.015e-07 -2.099e-07 -1.165e-07 / CHEB/ 2.871e-01 1.261e-07 8.777e-08 4.874e-08 / CHEB/ 5.979e-02 2.406e-07 1.675e-07 9.300e-08 / CHEB/ 2.754e-02 1.312e-07 9.133e-08 5.071e-08 / CHEB/ 9.642e-03 -1.077e-08 -7.495e-09 -4.162e-09 /

3030.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-2.1	-0.3	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-2.1	-0.3	+0.6

Chebyshev(coeffs=[[-0.0700797,-3.50866e-07,-2.44229e-07,-1.3561e-07],[6.34492,-3.01235e-07,-2.09682e-07,-1.16427e-07],[0.245385,8.84633e-08,6.15771e-08,3.41911e-08],[0.0472384,2.14681e-07,1.49434e-07,8.29744e-08],[0.0233955,1.29581e-07,9.01982e-08,5.00832e-08],[0.00818331,2.38769e-11,1.66291e-11,9.2389e-12]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.61
S298 (cal/mol*K) = 7.55
G298 (kcal/mol) = -5.86

! PDep reaction: PDepNetwork #30 ! Flux pairs: C7H9(5), C7H8(58); O2(2), HO2(43); O2(2)+C7H9(5)(+M)=>C7H8(58)+HO2(43)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.008e-02 -3.509e-07 -2.442e-07 -1.356e-07 / CHEB/ 6.345e+00 -3.012e-07 -2.097e-07 -1.164e-07 / CHEB/ 2.454e-01 8.846e-08 6.158e-08 3.419e-08 / CHEB/ 4.724e-02 2.147e-07 1.494e-07 8.297e-08 / CHEB/ 2.340e-02 1.296e-07 9.020e-08 5.008e-08 / CHEB/ 8.183e-03 2.388e-11 1.663e-11 9.239e-12 /

3031.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-4.6	-1.8	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-4.6	-1.8	-0.4

Chebyshev(coeffs=[[-5.28918,-1.70834e-07,-1.18913e-07,-6.60274e-08],[10.5485,-2.10068e-07,-1.46223e-07,-8.11914e-08],[0.291685,-2.50316e-08,-1.74239e-08,-9.67474e-09],[0.0608673,7.70545e-08,5.36357e-08,2.97816e-08],[0.027907,7.45103e-08,5.18647e-08,2.87983e-08],[0.00977239,2.36106e-08,1.64347e-08,9.12549e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.83
S298 (cal/mol*K) = 5.84
G298 (kcal/mol) = 25.09

! PDep reaction: PDepNetwork #30 ! Flux pairs: C7H9(5), C7H8(255); O2(2), HO2(43); O2(2)+C7H9(5)(+M)=>C7H8(255)+HO2(43)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.289e+00 -1.708e-07 -1.189e-07 -6.603e-08 / CHEB/ 1.055e+01 -2.101e-07 -1.462e-07 -8.119e-08 / CHEB/ 2.917e-01 -2.503e-08 -1.742e-08 -9.675e-09 / CHEB/ 6.087e-02 7.705e-08 5.364e-08 2.978e-08 / CHEB/ 2.791e-02 7.451e-08 5.186e-08 2.880e-08 / CHEB/ 9.772e-03 2.361e-08 1.643e-08 9.125e-09 /

3032.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-2.7	-1.1	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-7.0	-2.7	-1.1	-0.2

Chebyshev(coeffs=[[-0.465297,-3.91289e-07,-2.72367e-07,-1.51233e-07],[5.98227,-3.23593e-07,-2.25245e-07,-1.25069e-07],[0.202402,1.15362e-07,8.03005e-08,4.45874e-08],[0.0345841,2.46728e-07,1.71741e-07,9.53604e-08],[0.0192059,1.41442e-07,9.8454e-08,5.46672e-08],[0.00670745,-6.22635e-09,-4.33399e-09,-2.40647e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.54
S298 (cal/mol*K) = -32.45
G298 (kcal/mol) = 15.21

! PDep reaction: PDepNetwork #30 ! Flux pairs: O2(2), S(342); C7H9(5), S(342); O2(2)+C7H9(5)(+M)=>S(342)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.653e-01 -3.913e-07 -2.724e-07 -1.512e-07 / CHEB/ 5.982e+00 -3.236e-07 -2.252e-07 -1.251e-07 / CHEB/ 2.024e-01 1.154e-07 8.030e-08 4.459e-08 / CHEB/ 3.458e-02 2.467e-07 1.717e-07 9.536e-08 / CHEB/ 1.921e-02 1.414e-07 9.845e-08 5.467e-08 / CHEB/ 6.707e-03 -6.226e-09 -4.334e-09 -2.406e-09 /

3033.

→

PDepNetwork #30

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.8	-7.0	-2.9	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-7.0	-2.9	-0.7

Chebyshev(coeffs=[[-11.5728,-1.0594e-07,-7.3742e-08,-4.09458e-08],[16.4747,-1.51135e-07,-1.05202e-07,-5.84139e-08],[0.298229,-4.8178e-08,-3.35355e-08,-1.86208e-08],[0.0631165,2.34859e-08,1.6348e-08,9.07734e-09],[0.0286003,3.96734e-08,2.76157e-08,1.53338e-08],[0.0099791,2.11644e-08,1.4732e-08,8.18006e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.86
S298 (cal/mol*K) = -17.54
G298 (kcal/mol) = 53.09

! PDep reaction: PDepNetwork #30 ! Flux pairs: C7H9(5), C7H9O(343); O2(2), O(T)(344); O2(2)+C7H9(5)(+M)=>O(T)(344)+C7H9O(343)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.157e+01 -1.059e-07 -7.374e-08 -4.095e-08 / CHEB/ 1.647e+01 -1.511e-07 -1.052e-07 -5.841e-08 / CHEB/ 2.982e-01 -4.818e-08 -3.354e-08 -1.862e-08 / CHEB/ 6.312e-02 2.349e-08 1.635e-08 9.077e-09 / CHEB/ 2.860e-02 3.967e-08 2.762e-08 1.533e-08 / CHEB/ 9.979e-03 2.116e-08 1.473e-08 8.180e-09 /

3035.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-0.1	+2.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-5.8	-0.1	+2.0	+3.2

Chebyshev(coeffs=[[0.934313,-0.118178,-0.0740055,-0.0338464],[7.8857,0.11831,0.071087,0.0296383],[0.278276,-0.018663,-0.00895984,-0.00152232],[0.0847469,0.00519636,0.00268137,0.000712814],[0.0295896,0.00835596,0.00538346,0.00259216],[0.00859913,0.000658129,0.000664388,0.000548305]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.22
S298 (cal/mol*K) = -29.99
G298 (kcal/mol) = -11.28

! PDep reaction: PDepNetwork #31 ! Flux pairs: O2(2), S(345); C7H11(22), S(345); O2(2)+C7H11(22)(+M)=>S(345)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.343e-01 -1.182e-01 -7.401e-02 -3.385e-02 / CHEB/ 7.886e+00 1.183e-01 7.109e-02 2.964e-02 / CHEB/ 2.783e-01 -1.866e-02 -8.960e-03 -1.522e-03 / CHEB/ 8.475e-02 5.196e-03 2.681e-03 7.128e-04 / CHEB/ 2.959e-02 8.356e-03 5.383e-03 2.592e-03 / CHEB/ 8.599e-03 6.581e-04 6.644e-04 5.483e-04 /

3036.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+1.4	+3.0	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+1.3	+3.0	+3.9

Chebyshev(coeffs=[[4.12691,-0.264221,-0.13777,-0.0413136],[5.26372,0.293852,0.139905,0.0295209],[0.356611,-0.0416341,-0.00813418,0.00945291],[0.10846,-0.00434895,-0.00421822,-0.00224772],[0.0419146,0.0122134,0.0062135,0.00151202],[0.0119741,0.00081734,0.00130619,0.00120238]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.56
S298 (cal/mol*K) = -23.58
G298 (kcal/mol) = -1.53

! PDep reaction: PDepNetwork #31 ! Flux pairs: O2(2), S(346); C7H11(22), S(346); O2(2)+C7H11(22)(+M)=>S(346)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.127e+00 -2.642e-01 -1.378e-01 -4.131e-02 / CHEB/ 5.264e+00 2.939e-01 1.399e-01 2.952e-02 / CHEB/ 3.566e-01 -4.163e-02 -8.134e-03 9.453e-03 / CHEB/ 1.085e-01 -4.349e-03 -4.218e-03 -2.248e-03 / CHEB/ 4.191e-02 1.221e-02 6.214e-03 1.512e-03 / CHEB/ 1.197e-02 8.173e-04 1.306e-03 1.202e-03 /

3037.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	+0.2	+2.6	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-6.2	+0.1	+2.6	+3.9

Chebyshev(coeffs=[[0.550304,-0.0914308,-0.0589075,-0.0284966],[8.88443,0.0883909,0.0551254,0.024937],[0.310899,-0.0151559,-0.00815992,-0.00243854],[0.0942841,0.00566297,0.00326619,0.00123037],[0.0320189,0.00729645,0.00481714,0.00243428],[0.0097489,0.000775846,0.00065557,0.000466268]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.46
S298 (cal/mol*K) = -26.56
G298 (kcal/mol) = 8.37

! PDep reaction: PDepNetwork #31 ! Flux pairs: O2(2), S(347); C7H11(22), S(347); O2(2)+C7H11(22)(+M)=>S(347)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.503e-01 -9.143e-02 -5.891e-02 -2.850e-02 / CHEB/ 8.884e+00 8.839e-02 5.513e-02 2.494e-02 / CHEB/ 3.109e-01 -1.516e-02 -8.160e-03 -2.439e-03 / CHEB/ 9.428e-02 5.663e-03 3.266e-03 1.230e-03 / CHEB/ 3.202e-02 7.296e-03 4.817e-03 2.434e-03 / CHEB/ 9.749e-03 7.758e-04 6.556e-04 4.663e-04 /

3038.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+3.1	+3.7	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+3.0	+3.7	+4.2

Chebyshev(coeffs=[[8.10412,-0.711985,-0.169807,-0.00185424],[1.68344,0.790704,0.119608,-0.0341995],[0.203786,-0.0406106,0.0595365,0.025368],[0.0926682,-0.0561883,-0.0105781,0.0102566],[0.0587357,0.00915126,-0.00473799,-0.0018973],[0.0163821,0.00569371,0.00189021,-0.000593215]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.09
S298 (cal/mol*K) = -23.47
G298 (kcal/mol) = -3.10

! PDep reaction: PDepNetwork #31 ! Flux pairs: O2(2), S(348); C7H11(22), S(348); O2(2)+C7H11(22)(+M)=>S(348)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.104e+00 -7.120e-01 -1.698e-01 -1.854e-03 / CHEB/ 1.683e+00 7.907e-01 1.196e-01 -3.420e-02 / CHEB/ 2.038e-01 -4.061e-02 5.954e-02 2.537e-02 / CHEB/ 9.267e-02 -5.619e-02 -1.058e-02 1.026e-02 / CHEB/ 5.874e-02 9.151e-03 -4.738e-03 -1.897e-03 / CHEB/ 1.638e-02 5.694e-03 1.890e-03 -5.932e-04 /

3039.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+2.5	+3.9	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+2.5	+3.8	+4.7

Chebyshev(coeffs=[[5.88144,-0.349795,-0.162117,-0.0357438],[4.29398,0.393942,0.160883,0.016775],[0.328582,-0.0505631,-0.000864762,0.0172327],[0.09903,-0.0116904,-0.00809181,-0.0019763],[0.0417316,0.0137153,0.00561156,0.000249541],[0.0117026,0.00141512,0.00188136,0.00135845]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.46
S298 (cal/mol*K) = -26.56
G298 (kcal/mol) = 8.37

! PDep reaction: PDepNetwork #31 ! Flux pairs: O2(2), S(349); C7H11(22), S(349); O2(2)+C7H11(22)(+M)=>S(349)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.881e+00 -3.498e-01 -1.621e-01 -3.574e-02 / CHEB/ 4.294e+00 3.939e-01 1.609e-01 1.677e-02 / CHEB/ 3.286e-01 -5.056e-02 -8.648e-04 1.723e-02 / CHEB/ 9.903e-02 -1.169e-02 -8.092e-03 -1.976e-03 / CHEB/ 4.173e-02 1.372e-02 5.612e-03 2.495e-04 / CHEB/ 1.170e-02 1.415e-03 1.881e-03 1.358e-03 /

3040.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.4	+3.9	+4.2	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+3.8	+4.1	+4.4

Chebyshev(coeffs=[[9.18546,-0.764189,-0.171193,0.00122267],[1.08355,0.81581,0.107987,-0.0383839],[0.0115841,-0.00855786,0.0670524,0.0224742],[0.0321861,-0.0560971,-0.00447023,0.012471],[0.0428142,0.0040324,-0.00493473,-0.000482073],[0.0119481,0.00444234,0.000954104,-0.0005222]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.09
S298 (cal/mol*K) = -23.47
G298 (kcal/mol) = -3.10

! PDep reaction: PDepNetwork #31 ! Flux pairs: O2(2), S(350); C7H11(22), S(350); O2(2)+C7H11(22)(+M)=>S(350)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.185e+00 -7.642e-01 -1.712e-01 1.223e-03 / CHEB/ 1.084e+00 8.158e-01 1.080e-01 -3.838e-02 / CHEB/ 1.158e-02 -8.558e-03 6.705e-02 2.247e-02 / CHEB/ 3.219e-02 -5.610e-02 -4.470e-03 1.247e-02 / CHEB/ 4.281e-02 4.032e-03 -4.935e-03 -4.821e-04 / CHEB/ 1.195e-02 4.442e-03 9.541e-04 -5.222e-04 /

3041.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+2.7	+2.9	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+2.6	+2.9	+3.1

Chebyshev(coeffs=[[7.88595,-0.744992,-0.174374,-0.00043769],[1.15007,0.795984,0.112341,-0.0374111],[-0.0162034,-0.0160249,0.0648596,0.0235166],[0.00113596,-0.0504099,-0.00514077,0.0117501],[0.0290088,0.00701314,-0.00387328,-0.000647057],[0.00780088,0.00413082,0.00143606,-0.000262612]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.21
S298 (cal/mol*K) = -34.08
G298 (kcal/mol) = -18.05

! PDep reaction: PDepNetwork #31 ! Flux pairs: O2(2), S(351); C7H11(22), S(351); O2(2)+C7H11(22)(+M)=>S(351)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.886e+00 -7.450e-01 -1.744e-01 -4.377e-04 / CHEB/ 1.150e+00 7.960e-01 1.123e-01 -3.741e-02 / CHEB/ -1.620e-02 -1.602e-02 6.486e-02 2.352e-02 / CHEB/ 1.136e-03 -5.041e-02 -5.141e-03 1.175e-02 / CHEB/ 2.901e-02 7.013e-03 -3.873e-03 -6.471e-04 / CHEB/ 7.801e-03 4.131e-03 1.436e-03 -2.626e-04 /

3042.

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PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.8	-8.5	-2.7	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-25.8	-8.5	-2.7	+0.3

Chebyshev(coeffs=[[-18.3289,-0.00770283,-0.00534063,-0.00294613],[24.4916,0.000266076,0.000185874,0.000103812],[0.07093,-0.00173354,-0.00119819,-0.000657546],[0.0218001,0.00135336,0.000934498,0.000511995],[0.00322315,0.00185686,0.00128306,0.000703795],[-0.00100529,0.00114045,0.000786818,0.000430478]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.11
S298 (cal/mol*K) = 4.17
G298 (kcal/mol) = 76.87

! PDep reaction: PDepNetwork #31 ! Flux pairs: C7H11(22), S(352); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(352)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.833e+01 -7.703e-03 -5.341e-03 -2.946e-03 / CHEB/ 2.449e+01 2.661e-04 1.859e-04 1.038e-04 / CHEB/ 7.093e-02 -1.734e-03 -1.198e-03 -6.575e-04 / CHEB/ 2.180e-02 1.353e-03 9.345e-04 5.120e-04 / CHEB/ 3.223e-03 1.857e-03 1.283e-03 7.038e-04 / CHEB/ -1.005e-03 1.140e-03 7.868e-04 4.305e-04 /

3043.

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PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.5	-8.7	-2.7	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-8.7	-2.7	+0.4

Chebyshev(coeffs=[[-18.8887,-0.00750154,-0.00520161,-0.00286993],[25.1104,0.000163864,0.000115186,6.49822e-05],[0.13415,-0.0017199,-0.00118903,-0.00065277],[0.0379914,0.00130952,0.000904414,0.000495685],[0.00856976,0.00181757,0.00125611,0.000689187],[0.000990199,0.00112714,0.000777758,0.000425631]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.64
S298 (cal/mol*K) = 4.06
G298 (kcal/mol) = 78.43

! PDep reaction: PDepNetwork #31 ! Flux pairs: C7H11(22), S(42); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(42)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.889e+01 -7.502e-03 -5.202e-03 -2.870e-03 / CHEB/ 2.511e+01 1.639e-04 1.152e-04 6.498e-05 / CHEB/ 1.341e-01 -1.720e-03 -1.189e-03 -6.528e-04 / CHEB/ 3.799e-02 1.310e-03 9.044e-04 4.957e-04 / CHEB/ 8.570e-03 1.818e-03 1.256e-03 6.892e-04 / CHEB/ 9.902e-04 1.127e-03 7.778e-04 4.256e-04 /

3044.

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PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.2	-7.0	-1.8	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-22.2	-7.0	-1.9	+0.8

Chebyshev(coeffs=[[-14.8653,-0.0101693,-0.00704131,-0.0038757],[21.476,0.00181026,0.00125071,0.000685903],[0.113499,-0.00199083,-0.00137162,-0.000748695],[0.0310588,0.00184042,0.00126755,0.000691467],[0.00783633,0.00228023,0.001573,0.000860437],[0.0017049,0.00126235,0.000869559,0.000474495]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.98
S298 (cal/mol*K) = -2.35
G298 (kcal/mol) = 68.68

! PDep reaction: PDepNetwork #31 ! Flux pairs: C7H11(22), S(353); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(353)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.487e+01 -1.017e-02 -7.041e-03 -3.876e-03 / CHEB/ 2.148e+01 1.810e-03 1.251e-03 6.859e-04 / CHEB/ 1.135e-01 -1.991e-03 -1.372e-03 -7.487e-04 / CHEB/ 3.106e-02 1.840e-03 1.268e-03 6.915e-04 / CHEB/ 7.836e-03 2.280e-03 1.573e-03 8.604e-04 / CHEB/ 1.705e-03 1.262e-03 8.696e-04 4.745e-04 /

3045.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.8	-8.5	-2.7	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-25.8	-8.5	-2.7	+0.3

H298 (kcal/mol) = 78.11
S298 (cal/mol*K) = 4.17
G298 (kcal/mol) = 76.87

! PDep reaction: PDepNetwork #31 ! Flux pairs: C7H11(22), S(354); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(354)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.833e+01 -7.703e-03 -5.341e-03 -2.946e-03 / CHEB/ 2.449e+01 2.661e-04 1.859e-04 1.038e-04 / CHEB/ 7.093e-02 -1.734e-03 -1.198e-03 -6.575e-04 / CHEB/ 2.180e-02 1.353e-03 9.345e-04 5.120e-04 / CHEB/ 3.223e-03 1.857e-03 1.283e-03 7.038e-04 / CHEB/ -1.005e-03 1.140e-03 7.868e-04 4.305e-04 /

3046.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-6.3	-1.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-6.3	-1.4	+1.2

Chebyshev(coeffs=[[-12.9655,-0.0125139,-0.00865268,-0.00475159],[19.7563,0.00390403,0.00268768,0.00146514],[0.264897,-0.00230197,-0.00157972,-0.000856506],[0.0755387,0.00219286,0.00150638,0.000818168],[0.0228383,0.00253792,0.00174885,0.000954872],[0.00711117,0.00127302,0.000876366,0.000477713]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.99
S298 (cal/mol*K) = -6.44
G298 (kcal/mol) = 61.91

! PDep reaction: PDepNetwork #31 ! Flux pairs: C7H11(22), S(41); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(41)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.297e+01 -1.251e-02 -8.653e-03 -4.752e-03 / CHEB/ 1.976e+01 3.904e-03 2.688e-03 1.465e-03 / CHEB/ 2.649e-01 -2.302e-03 -1.580e-03 -8.565e-04 / CHEB/ 7.554e-02 2.193e-03 1.506e-03 8.182e-04 / CHEB/ 2.284e-02 2.538e-03 1.749e-03 9.549e-04 / CHEB/ 7.111e-03 1.273e-03 8.764e-04 4.777e-04 /

3047.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.4	-11.6	-4.9	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-11.6	-4.9	-1.5

Chebyshev(coeffs=[[-23.6132,-0.00616713,-0.00427919,-0.00236362],[27.902,-0.000515379,-0.000355149,-0.000193917],[0.129768,-0.00159543,-0.00110452,-0.000607792],[0.0332607,0.00101404,0.00070131,0.00038526],[0.00556616,0.00154873,0.00107138,0.000588814],[-0.000673969,0.00103206,0.000712899,0.000390827]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.66
S298 (cal/mol*K) = 1.08
G298 (kcal/mol) = 88.34

! PDep reaction: PDepNetwork #31 ! Flux pairs: C7H11(22), S(355); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(355)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.361e+01 -6.167e-03 -4.279e-03 -2.364e-03 / CHEB/ 2.790e+01 -5.154e-04 -3.551e-04 -1.939e-04 / CHEB/ 1.298e-01 -1.595e-03 -1.105e-03 -6.078e-04 / CHEB/ 3.326e-02 1.014e-03 7.013e-04 3.853e-04 / CHEB/ 5.566e-03 1.549e-03 1.071e-03 5.888e-04 / CHEB/ -6.740e-04 1.032e-03 7.129e-04 3.908e-04 /

3048.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.4	-11.6	-4.9	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-11.6	-4.9	-1.5

H298 (kcal/mol) = 88.66
S298 (cal/mol*K) = 1.08
G298 (kcal/mol) = 88.34

! PDep reaction: PDepNetwork #31 ! Flux pairs: C7H11(22), S(356); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(356)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.361e+01 -6.167e-03 -4.279e-03 -2.364e-03 / CHEB/ 2.790e+01 -5.154e-04 -3.551e-04 -1.939e-04 / CHEB/ 1.298e-01 -1.595e-03 -1.105e-03 -6.078e-04 / CHEB/ 3.326e-02 1.014e-03 7.013e-04 3.853e-04 / CHEB/ 5.566e-03 1.549e-03 1.071e-03 5.888e-04 / CHEB/ -6.740e-04 1.032e-03 7.129e-04 3.908e-04 /

3049.

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PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-5.7	-2.0	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-5.7	-2.0	-0.1

Chebyshev(coeffs=[[-9.31103,-0.0238989,-0.0164032,-0.00889639],[14.9437,0.0129809,0.0088314,0.00471776],[0.165823,-0.00346361,-0.00232019,-0.00120581],[0.0483613,0.00382529,0.00259321,0.00137672],[0.0153518,0.00390424,0.00267207,0.00144214],[0.00503356,0.00146865,0.00100866,0.000547649]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.34
S298 (cal/mol*K) = -80.52
G298 (kcal/mol) = -7.34

! PDep reaction: PDepNetwork #31 ! Flux pairs: O2(2), S(357); C7H11(22), S(357); O2(2)+C7H11(22)(+M)=>S(357)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.311e+00 -2.390e-02 -1.640e-02 -8.896e-03 / CHEB/ 1.494e+01 1.298e-02 8.831e-03 4.718e-03 / CHEB/ 1.658e-01 -3.464e-03 -2.320e-03 -1.206e-03 / CHEB/ 4.836e-02 3.825e-03 2.593e-03 1.377e-03 / CHEB/ 1.535e-02 3.904e-03 2.672e-03 1.442e-03 / CHEB/ 5.034e-03 1.469e-03 1.009e-03 5.476e-04 /

3050.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.4	+6.2	+6.0	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+5.8	+6.0	+5.9	+5.9

Chebyshev(coeffs=[[11.8932,-0.860547,-0.17042,0.00769701],[0.20836,0.852917,0.0875889,-0.0439855],[-0.250416,0.0609655,0.0763794,0.0153915],[-0.0244016,-0.0500617,0.00648603,0.0150139],[0.0401123,-0.00894968,-0.00423395,0.00232137],[0.0153253,-0.00131817,-0.00058667,-1.46229e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.34
S298 (cal/mol*K) = -79.15
G298 (kcal/mol) = -7.75

! PDep reaction: PDepNetwork #31 ! Flux pairs: O2(2), S(358); C7H11(22), S(358); O2(2)+C7H11(22)(+M)=>S(358)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.189e+01 -8.605e-01 -1.704e-01 7.697e-03 / CHEB/ 2.084e-01 8.529e-01 8.759e-02 -4.399e-02 / CHEB/ -2.504e-01 6.097e-02 7.638e-02 1.539e-02 / CHEB/ -2.440e-02 -5.006e-02 6.486e-03 1.501e-02 / CHEB/ 4.011e-02 -8.950e-03 -4.234e-03 2.321e-03 / CHEB/ 1.533e-02 -1.318e-03 -5.867e-04 -1.462e-05 /

3051.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+3.5	+4.5	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+3.4	+4.5	+5.2

Chebyshev(coeffs=[[6.94723,-0.353771,-0.165967,-0.0373486],[3.95493,0.38555,0.159495,0.017114],[0.167747,-0.0389472,0.00262424,0.0170851],[0.0490383,-0.0108474,-0.00657135,-0.000994831],[0.0247834,0.0132479,0.00553246,0.000435589],[0.00591636,0.00141756,0.00182198,0.00133318]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.45
S298 (cal/mol*K) = -12.15
G298 (kcal/mol) = -4.83

! PDep reaction: PDepNetwork #31 ! Flux pairs: C7H11(22), C7H10(1); O2(2), HO2(43); O2(2)+C7H11(22)(+M)=>C7H10(1)+HO2(43)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.947e+00 -3.538e-01 -1.660e-01 -3.735e-02 / CHEB/ 3.955e+00 3.855e-01 1.595e-01 1.711e-02 / CHEB/ 1.677e-01 -3.895e-02 2.624e-03 1.709e-02 / CHEB/ 4.904e-02 -1.085e-02 -6.571e-03 -9.948e-04 / CHEB/ 2.478e-02 1.325e-02 5.532e-03 4.356e-04 / CHEB/ 5.916e-03 1.418e-03 1.822e-03 1.333e-03 /

3052.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+1.0	+3.1	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-4.8	+0.9	+3.0	+4.2

Chebyshev(coeffs=[[1.89599,-0.112938,-0.0712254,-0.0330389],[7.96105,0.110884,0.0672267,0.0286009],[0.236487,-0.0168728,-0.0082349,-0.00154902],[0.0727736,0.00553065,0.0029845,0.000930594],[0.0255736,0.00826105,0.00534464,0.00259666],[0.00727535,0.000718484,0.000684829,0.000541429]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.39
S298 (cal/mol*K) = 8.49
G298 (kcal/mol) = 17.86

! PDep reaction: PDepNetwork #31 ! Flux pairs: C7H11(22), C7H10(264); O2(2), HO2(43); O2(2)+C7H11(22)(+M)=>C7H10(264)+HO2(43)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.896e+00 -1.129e-01 -7.123e-02 -3.304e-02 / CHEB/ 7.961e+00 1.109e-01 6.723e-02 2.860e-02 / CHEB/ 2.365e-01 -1.687e-02 -8.235e-03 -1.549e-03 / CHEB/ 7.277e-02 5.531e-03 2.985e-03 9.306e-04 / CHEB/ 2.557e-02 8.261e-03 5.345e-03 2.597e-03 / CHEB/ 7.275e-03 7.185e-04 6.848e-04 5.414e-04 /

3053.

→

PDepNetwork #31

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-1.5	+2.0	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-1.5	+2.0	+3.8

Chebyshev(coeffs=[[-4.33732,-0.0295468,-0.0201886,-0.0108659],[13.8301,0.0193782,0.0130919,0.00690883],[0.250061,-0.00462166,-0.00305048,-0.00154276],[0.0736833,0.00421596,0.00283384,0.00148208],[0.0236087,0.00420907,0.00287582,0.00154758],[0.00766064,0.00135917,0.000936708,0.000511568]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.22
S298 (cal/mol*K) = 2.08
G298 (kcal/mol) = 39.60

! PDep reaction: PDepNetwork #31 ! Flux pairs: C7H11(22), S(359); O2(2), O(T)(344); O2(2)+C7H11(22)(+M)=>S(359)+O(T)(344)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.337e+00 -2.955e-02 -2.019e-02 -1.087e-02 / CHEB/ 1.383e+01 1.938e-02 1.309e-02 6.909e-03 / CHEB/ 2.501e-01 -4.622e-03 -3.050e-03 -1.543e-03 / CHEB/ 7.368e-02 4.216e-03 2.834e-03 1.482e-03 / CHEB/ 2.361e-02 4.209e-03 2.876e-03 1.548e-03 / CHEB/ 7.661e-03 1.359e-03 9.367e-04 5.116e-04 /

3083.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-1.1	+2.0	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-1.4	+1.9	+3.2

Chebyshev(coeffs=[[-4.86745,-1.09271,-0.242253,0.0121478],[14.3104,0.906693,0.0988984,-0.0556421],[0.12887,0.22497,0.0993197,0.00417713],[-0.186035,-0.02668,0.0302886,0.016358],[-0.134267,-0.0527989,-0.00806213,0.00897023],[-0.0542668,-0.0296907,-0.0134621,0.000213299]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.09
S298 (cal/mol*K) = 23.42
G298 (kcal/mol) = 32.11

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(360); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(360)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.867e+00 -1.093e+00 -2.423e-01 1.215e-02 / CHEB/ 1.431e+01 9.067e-01 9.890e-02 -5.564e-02 / CHEB/ 1.289e-01 2.250e-01 9.932e-02 4.177e-03 / CHEB/ -1.860e-01 -2.668e-02 3.029e-02 1.636e-02 / CHEB/ -1.343e-01 -5.280e-02 -8.062e-03 8.970e-03 / CHEB/ -5.427e-02 -2.969e-02 -1.346e-02 2.133e-04 /

3084.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	+0.4	+2.8	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-0.2	+2.6	+3.6

Chebyshev(coeffs=[[-0.146809,-1.90355,-0.125732,0.0412307],[9.39829,1.447,-0.0612711,-0.0640363],[0.753555,0.561229,0.101204,-0.0257363],[-0.206529,-0.0277497,0.0354529,0.00917776],[-0.164663,-0.124554,0.00219223,0.0116664],[-0.0423206,-0.0541008,-0.00116603,0.00521374]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.81
S298 (cal/mol*K) = 0.40
G298 (kcal/mol) = 1.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(361); H(25), C7H10(361); C7H9(5)+H(25)(+M)=>C7H10(361)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.468e-01 -1.904e+00 -1.257e-01 4.123e-02 / CHEB/ 9.398e+00 1.447e+00 -6.127e-02 -6.404e-02 / CHEB/ 7.536e-01 5.612e-01 1.012e-01 -2.574e-02 / CHEB/ -2.065e-01 -2.775e-02 3.545e-02 9.178e-03 / CHEB/ -1.647e-01 -1.246e-01 2.192e-03 1.167e-02 / CHEB/ -4.232e-02 -5.410e-02 -1.166e-03 5.214e-03 /

3085.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	+0.1	+1.7	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-0.9	+1.3	+2.3

Chebyshev(coeffs=[[1.21023,-2.09181,-0.124707,0.0304576],[6.77434,1.1244,-0.160194,-0.0327523],[0.61152,0.697378,0.131472,-0.0368685],[-0.208218,0.231126,0.107401,0.0147785],[-0.111255,0.0246681,0.0219733,0.00703596],[0.0333942,-0.0297685,-0.0236245,-0.0130153]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.81
S298 (cal/mol*K) = 0.40
G298 (kcal/mol) = 1.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(362); H(25), C7H10(362); C7H9(5)+H(25)(+M)=>C7H10(362)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.210e+00 -2.092e+00 -1.247e-01 3.046e-02 / CHEB/ 6.774e+00 1.124e+00 -1.602e-01 -3.275e-02 / CHEB/ 6.115e-01 6.974e-01 1.315e-01 -3.687e-02 / CHEB/ -2.082e-01 2.311e-01 1.074e-01 1.478e-02 / CHEB/ -1.113e-01 2.467e-02 2.197e-02 7.036e-03 / CHEB/ 3.339e-02 -2.977e-02 -2.362e-02 -1.302e-02 /

3086.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+2.6	+4.2	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+2.0	+3.9	+4.3

Chebyshev(coeffs=[[3.74466,-1.59075,-0.106965,-0.00626333],[6.63213,0.943723,-0.101754,-0.0111515],[0.476349,0.454405,0.0293076,-0.0189029],[-0.225505,0.0896602,0.0563695,-0.00831039],[-0.189316,-0.0379785,0.0328961,0.00462046],[-0.0867932,-0.0449752,0.00502101,0.00734787]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.81
S298 (cal/mol*K) = 0.40
G298 (kcal/mol) = 1.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(363); H(25), C7H10(363); C7H9(5)+H(25)(+M)=>C7H10(363)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.745e+00 -1.591e+00 -1.070e-01 -6.263e-03 / CHEB/ 6.632e+00 9.437e-01 -1.018e-01 -1.115e-02 / CHEB/ 4.763e-01 4.544e-01 2.931e-02 -1.890e-02 / CHEB/ -2.255e-01 8.966e-02 5.637e-02 -8.310e-03 / CHEB/ -1.893e-01 -3.798e-02 3.290e-02 4.620e-03 / CHEB/ -8.679e-02 -4.498e-02 5.021e-03 7.348e-03 /

3087.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-0.6	+1.6	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-1.1	+1.4	+2.5

Chebyshev(coeffs=[[-0.995906,-1.48037,-0.139334,9.74145e-06],[9.2625,1.01977,-0.0704769,-0.0277286],[0.4365,0.386476,0.0640406,-0.0234596],[-0.12034,0.0349703,0.0575104,-0.00320272],[-0.101883,-0.0552735,0.0180228,0.00873127],[-0.0233111,-0.0451615,-0.00641132,0.0062517]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.81
S298 (cal/mol*K) = 0.40
G298 (kcal/mol) = 1.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(364); H(25), C7H10(364); C7H9(5)+H(25)(+M)=>C7H10(364)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.959e-01 -1.480e+00 -1.393e-01 9.741e-06 / CHEB/ 9.263e+00 1.020e+00 -7.048e-02 -2.773e-02 / CHEB/ 4.365e-01 3.865e-01 6.404e-02 -2.346e-02 / CHEB/ -1.203e-01 3.497e-02 5.751e-02 -3.203e-03 / CHEB/ -1.019e-01 -5.527e-02 1.802e-02 8.731e-03 / CHEB/ -2.331e-02 -4.516e-02 -6.411e-03 6.252e-03 /

3088.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-2.4	+1.7	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-2.6	+1.7	+3.4

Chebyshev(coeffs=[[-9.24176,-0.714534,-0.277307,-0.0340107],[19.1137,0.634825,0.201514,-0.00771468],[-0.0707418,0.119518,0.0724366,0.0224818],[-0.205232,-0.0403598,-0.00131741,0.0108592],[-0.121854,-0.0365363,-0.0160927,-0.00063787],[-0.0599942,-0.0152041,-0.00984853,-0.0035363]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.37
S298 (cal/mol*K) = 36.68
G298 (kcal/mol) = 50.44

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H6(365); H(25), C3H4(73); C7H9(5)+H(25)(+M)=>C3H4(73)+C4H6(365)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.242e+00 -7.145e-01 -2.773e-01 -3.401e-02 / CHEB/ 1.911e+01 6.348e-01 2.015e-01 -7.715e-03 / CHEB/ -7.074e-02 1.195e-01 7.244e-02 2.248e-02 / CHEB/ -2.052e-01 -4.036e-02 -1.317e-03 1.086e-02 / CHEB/ -1.219e-01 -3.654e-02 -1.609e-02 -6.379e-04 / CHEB/ -5.999e-02 -1.520e-02 -9.849e-03 -3.536e-03 /

3089.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+3.1	+4.2	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+2.3	+3.9	+4.1

Chebyshev(coeffs=[[5.36366,-1.65605,-0.0951044,-0.00781462],[4.80823,0.846419,-0.111877,-0.00719242],[0.537177,0.475911,0.00199689,-0.0154772],[-0.23927,0.134743,0.0439039,-0.0105712],[-0.208296,-0.0150093,0.0362328,0.000331496],[-0.0983952,-0.0422614,0.0127759,0.00565847]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.71
S298 (cal/mol*K) = -9.09
G298 (kcal/mol) = -11.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(366); H(25), C7H10(366); C7H9(5)+H(25)(+M)=>C7H10(366)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.364e+00 -1.656e+00 -9.510e-02 -7.815e-03 / CHEB/ 4.808e+00 8.464e-01 -1.119e-01 -7.192e-03 / CHEB/ 5.372e-01 4.759e-01 1.997e-03 -1.548e-02 / CHEB/ -2.393e-01 1.347e-01 4.390e-02 -1.057e-02 / CHEB/ -2.083e-01 -1.501e-02 3.623e-02 3.315e-04 / CHEB/ -9.840e-02 -4.226e-02 1.278e-02 5.658e-03 /

3090.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+4.3	+4.9	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+3.4	+4.4	+4.5

Chebyshev(coeffs=[[7.80975,-1.73526,-0.0857509,-0.0095309],[2.875,0.713955,-0.116202,-0.00115268],[0.423028,0.458476,-0.0241601,-0.0135113],[-0.225478,0.176828,0.024285,-0.010573],[-0.214117,0.0226032,0.0329,-0.00270477],[-0.106064,-0.0263005,0.01913,0.0024974]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.11
S298 (cal/mol*K) = -3.62
G298 (kcal/mol) = -48.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(367); H(25), C7H10(367); C7H9(5)+H(25)(+M)=>C7H10(367)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.810e+00 -1.735e+00 -8.575e-02 -9.531e-03 / CHEB/ 2.875e+00 7.140e-01 -1.162e-01 -1.153e-03 / CHEB/ 4.230e-01 4.585e-01 -2.416e-02 -1.351e-02 / CHEB/ -2.255e-01 1.768e-01 2.428e-02 -1.057e-02 / CHEB/ -2.141e-01 2.260e-02 3.290e-02 -2.705e-03 / CHEB/ -1.061e-01 -2.630e-02 1.913e-02 2.497e-03 /

3091.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.2	-14.6	-6.9	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-39.2	-14.6	-6.9	-3.3

Chebyshev(coeffs=[[-31.3613,-0.0567772,-0.0379294,-0.0196675],[34.6854,0.0468152,0.0309853,0.0158105],[-0.298795,0.00178478,0.00123134,0.000676805],[-0.182328,-0.00988954,-0.00654329,-0.00334069],[-0.082683,-0.00181727,-0.00135515,-0.000826922],[-0.0412203,0.000536379,0.000322077,0.000134032]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 105.44
S298 (cal/mol*K) = 38.02
G298 (kcal/mol) = 94.11

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(368); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>CH2(T)(82)+C6H8(368)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.136e+01 -5.678e-02 -3.793e-02 -1.967e-02 / CHEB/ 3.469e+01 4.682e-02 3.099e-02 1.581e-02 / CHEB/ -2.988e-01 1.785e-03 1.231e-03 6.768e-04 / CHEB/ -1.823e-01 -9.890e-03 -6.543e-03 -3.341e-03 / CHEB/ -8.268e-02 -1.817e-03 -1.355e-03 -8.269e-04 / CHEB/ -4.122e-02 5.364e-04 3.221e-04 1.340e-04 /

3092.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	+1.9	+3.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-5.6	+1.2	+3.1	+3.4

Chebyshev(coeffs=[[2.4112,-1.96244,-0.273674,-0.0419316],[7.37844,1.30837,0.0323501,0.00358669],[0.270485,0.420776,0.0504002,0.00150663],[-0.307386,0.0283052,0.0253864,-0.0204165],[-0.206167,-0.0392966,0.0263433,8.58703e-05],[-0.0924593,-0.037024,0.00759073,0.00933141]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.43
S298 (cal/mol*K) = -0.82
G298 (kcal/mol) = 13.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(369); H(25), C7H10(369); C7H9(5)+H(25)(+M)=>C7H10(369)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.411e+00 -1.962e+00 -2.737e-01 -4.193e-02 / CHEB/ 7.378e+00 1.308e+00 3.235e-02 3.587e-03 / CHEB/ 2.705e-01 4.208e-01 5.040e-02 1.507e-03 / CHEB/ -3.074e-01 2.831e-02 2.539e-02 -2.042e-02 / CHEB/ -2.062e-01 -3.930e-02 2.634e-02 8.587e-05 / CHEB/ -9.246e-02 -3.702e-02 7.591e-03 9.331e-03 /

3093.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+4.1	+6.2	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+3.6	+6.0	+6.8

Chebyshev(coeffs=[[3.74753,-1.48109,-0.130798,-0.00019731],[9.03334,1.03685,-0.0698527,-0.0218355],[0.462391,0.396263,0.0691059,-0.0201433],[-0.187276,0.032514,0.0626686,-0.000428157],[-0.163671,-0.0582723,0.0204048,0.010802],[-0.0724095,-0.0444564,-0.00585638,0.00750173]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.47
S298 (cal/mol*K) = 33.02
G298 (kcal/mol) = 8.63

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H6(370); H(25), C3H4(73); C7H9(5)+H(25)(+M)=>C3H4(73)+C4H6(370)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.748e+00 -1.481e+00 -1.308e-01 -1.973e-04 / CHEB/ 9.033e+00 1.037e+00 -6.985e-02 -2.184e-02 / CHEB/ 4.624e-01 3.963e-01 6.911e-02 -2.014e-02 / CHEB/ -1.873e-01 3.251e-02 6.267e-02 -4.282e-04 / CHEB/ -1.637e-01 -5.827e-02 2.040e-02 1.080e-02 / CHEB/ -7.241e-02 -4.446e-02 -5.856e-03 7.502e-03 /

3094.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-1.8	+1.0	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-2.1	+0.9	+2.0

Chebyshev(coeffs=[[-4.77751,-1.18807,-0.224974,0.01536],[13.106,0.946388,0.0621121,-0.0554393],[0.0481755,0.261582,0.0976741,-0.00381147],[-0.200117,-0.014475,0.0391291,0.0142476],[-0.11059,-0.0551918,-0.00213516,0.0111335],[-0.0510371,-0.0337901,-0.012529,0.00208216]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.45
S298 (cal/mol*K) = 1.21
G298 (kcal/mol) = 4.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(371); H(25), C7H10(371); C7H9(5)+H(25)(+M)=>C7H10(371)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.778e+00 -1.188e+00 -2.250e-01 1.536e-02 / CHEB/ 1.311e+01 9.464e-01 6.211e-02 -5.544e-02 / CHEB/ 4.818e-02 2.616e-01 9.767e-02 -3.811e-03 / CHEB/ -2.001e-01 -1.447e-02 3.913e-02 1.425e-02 / CHEB/ -1.106e-01 -5.519e-02 -2.135e-03 1.113e-02 / CHEB/ -5.104e-02 -3.379e-02 -1.253e-02 2.082e-03 /

3095.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+2.1	+3.9	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-5.7	+1.5	+3.7	+4.3

Chebyshev(coeffs=[[2.38807,-1.53793,-0.118589,-0.00344543],[7.9131,0.997451,-0.0879945,-0.0159164],[0.439103,0.425992,0.0499126,-0.0205279],[-0.208661,0.059763,0.0609672,-0.0047994],[-0.177434,-0.0491217,0.0273707,0.00786641],[-0.0801548,-0.0450454,-0.000577135,0.007878]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.45
S298 (cal/mol*K) = 1.21
G298 (kcal/mol) = 4.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(372); H(25), C7H10(372); C7H9(5)+H(25)(+M)=>C7H10(372)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.388e+00 -1.538e+00 -1.186e-01 -3.445e-03 / CHEB/ 7.913e+00 9.975e-01 -8.799e-02 -1.592e-02 / CHEB/ 4.391e-01 4.260e-01 4.991e-02 -2.053e-02 / CHEB/ -2.087e-01 5.976e-02 6.097e-02 -4.799e-03 / CHEB/ -1.774e-01 -4.912e-02 2.737e-02 7.866e-03 / CHEB/ -8.015e-02 -4.505e-02 -5.771e-04 7.878e-03 /

3096.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	+2.0	+4.7	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+1.4	+4.5	+6.0

Chebyshev(coeffs=[[2.82901,-1.72034,-0.0299382,0.0168719],[7.8554,1.25731,-0.188434,-0.0517275],[1.27431,0.391637,0.0121858,-0.05686],[-0.00217855,-0.00944207,0.0706257,0.0263266],[-0.0216281,-0.0561221,0.0303518,0.0127158],[0.00734638,-0.0530704,0.000832818,0.000175757]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.59
S298 (cal/mol*K) = 1.15
G298 (kcal/mol) = -2.93

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(373); H(25), C7H10(373); C7H9(5)+H(25)(+M)=>C7H10(373)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.829e+00 -1.720e+00 -2.994e-02 1.687e-02 / CHEB/ 7.855e+00 1.257e+00 -1.884e-01 -5.173e-02 / CHEB/ 1.274e+00 3.916e-01 1.219e-02 -5.686e-02 / CHEB/ -2.179e-03 -9.442e-03 7.063e-02 2.633e-02 / CHEB/ -2.163e-02 -5.612e-02 3.035e-02 1.272e-02 / CHEB/ 7.346e-03 -5.307e-02 8.328e-04 1.758e-04 /

3097.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+1.6	+3.1	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+0.9	+2.9	+3.3

Chebyshev(coeffs=[[2.53947,-1.58297,-0.108781,-0.00597151],[6.84732,0.953144,-0.10012,-0.0118197],[0.468601,0.450091,0.0325098,-0.0193458],[-0.2217,0.0845972,0.0572577,-0.00783405],[-0.187698,-0.0401156,0.0321158,0.00513931],[-0.0857845,-0.0452014,0.00408417,0.00748473]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.55
S298 (cal/mol*K) = -2.66
G298 (kcal/mol) = 11.35

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(374); H(25), C7H10(374); C7H9(5)+H(25)(+M)=>C7H10(374)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.539e+00 -1.583e+00 -1.088e-01 -5.972e-03 / CHEB/ 6.847e+00 9.531e-01 -1.001e-01 -1.182e-02 / CHEB/ 4.686e-01 4.501e-01 3.251e-02 -1.935e-02 / CHEB/ -2.217e-01 8.460e-02 5.726e-02 -7.834e-03 / CHEB/ -1.877e-01 -4.012e-02 3.212e-02 5.139e-03 / CHEB/ -8.578e-02 -4.520e-02 4.084e-03 7.485e-03 /

3098.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.1	+3.6	+4.4	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+2.8	+3.9	+4.0

Chebyshev(coeffs=[[6.96515,-1.71584,-0.0880199,-0.00899939],[3.19227,0.745639,-0.116057,-0.002148],[0.44854,0.464281,-0.0183695,-0.0136528],[-0.237965,0.166032,0.0294802,-0.0102676],[-0.212126,0.0112932,0.0343907,-0.00194257],[-0.106895,-0.0317288,0.0179082,0.00344852]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -46.47
S298 (cal/mol*K) = -2.81
G298 (kcal/mol) = -45.63

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(375); H(25), C7H10(375); C7H9(5)+H(25)(+M)=>C7H10(375)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.965e+00 -1.716e+00 -8.802e-02 -8.999e-03 / CHEB/ 3.192e+00 7.456e-01 -1.161e-01 -2.148e-03 / CHEB/ 4.485e-01 4.643e-01 -1.837e-02 -1.365e-02 / CHEB/ -2.380e-01 1.660e-01 2.948e-02 -1.027e-02 / CHEB/ -2.121e-01 1.129e-02 3.439e-02 -1.943e-03 / CHEB/ -1.069e-01 -3.173e-02 1.791e-02 3.449e-03 /

3099.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+6.8	+6.7	+6.1
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+6.2	+6.7	+6.4

Chebyshev(coeffs=[[10.7971,-1.31688,-0.15892,-0.0027571],[1.70648,1.29751,-0.177184,-0.00806181],[-0.0227787,0.660341,-0.00196794,-0.024052],[-0.334328,0.171418,0.0463212,-0.00462436],[-0.207901,-0.018029,0.024636,0.00854155],[-0.076568,-0.0430426,0.000746563,0.00471505]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -73.85
S298 (cal/mol*K) = -14.31
G298 (kcal/mol) = -69.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(376); H(25), C7H10(376); C7H9(5)+H(25)(+M)=>C7H10(376)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.080e+01 -1.317e+00 -1.589e-01 -2.757e-03 / CHEB/ 1.706e+00 1.298e+00 -1.772e-01 -8.062e-03 / CHEB/ -2.278e-02 6.603e-01 -1.968e-03 -2.405e-02 / CHEB/ -3.343e-01 1.714e-01 4.632e-02 -4.624e-03 / CHEB/ -2.079e-01 -1.803e-02 2.464e-02 8.542e-03 / CHEB/ -7.657e-02 -4.304e-02 7.466e-04 4.715e-03 /

3104.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+1.1	+3.2	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-4.9	+0.8	+3.0	+4.1

Chebyshev(coeffs=[[2.29137,-0.625242,-0.151204,0.0158409],[7.33876,0.413833,0.0260978,-0.043721],[0.451761,0.0640712,0.043502,-0.000101241],[0.0431681,0.0401236,0.0190957,0.0043735],[-0.0258284,0.0300435,0.00917527,0.000254219],[-0.0260909,0.00470542,0.00475024,0.00102391]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.25
S298 (cal/mol*K) = 25.27
G298 (kcal/mol) = 5.72

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(309); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(309)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.291e+00 -6.252e-01 -1.512e-01 1.584e-02 / CHEB/ 7.339e+00 4.138e-01 2.610e-02 -4.372e-02 / CHEB/ 4.518e-01 6.407e-02 4.350e-02 -1.012e-04 / CHEB/ 4.317e-02 4.012e-02 1.910e-02 4.373e-03 / CHEB/ -2.583e-02 3.004e-02 9.175e-03 2.542e-04 / CHEB/ -2.609e-02 4.705e-03 4.750e-03 1.024e-03 /

3105.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+1.6	+3.4	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+1.3	+3.2	+4.2

Chebyshev(coeffs=[[3.77508,-0.829825,-0.0923372,0.0321889],[5.84949,0.648576,-0.0691565,-0.0584759],[0.568649,0.0267714,0.0749972,-0.00565843],[0.0519565,0.0318149,0.0225992,0.00721519],[-0.0281198,0.036056,0.00534678,0.00135175],[-0.0293276,0.00688599,0.00484102,0.000351617]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.76
S298 (cal/mol*K) = 19.24
G298 (kcal/mol) = 1.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(121); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.775e+00 -8.298e-01 -9.234e-02 3.219e-02 / CHEB/ 5.849e+00 6.486e-01 -6.916e-02 -5.848e-02 / CHEB/ 5.686e-01 2.677e-02 7.500e-02 -5.658e-03 / CHEB/ 5.196e-02 3.181e-02 2.260e-02 7.215e-03 / CHEB/ -2.812e-02 3.606e-02 5.347e-03 1.352e-03 / CHEB/ -2.933e-02 6.886e-03 4.841e-03 3.516e-04 /

3106.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-1.5	+0.9	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-1.8	+0.7	+2.0

Chebyshev(coeffs=[[-1.51773,-0.469767,-0.161549,-0.00783707],[9.11098,0.261583,0.0567719,-0.0164895],[0.378455,0.0735348,0.030985,-0.000136639],[0.0471078,0.0457239,0.0181746,0.0019135],[-0.0179653,0.0264638,0.0104727,0.000429274],[-0.0203402,0.00301272,0.00405663,0.00155884]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.17
S298 (cal/mol*K) = 0.95
G298 (kcal/mol) = -13.45

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(310); H(25), C7H11(310); C7H10(1)+H(25)(+M)=>C7H11(310)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.518e+00 -4.698e-01 -1.615e-01 -7.837e-03 / CHEB/ 9.111e+00 2.616e-01 5.677e-02 -1.649e-02 / CHEB/ 3.785e-01 7.353e-02 3.099e-02 -1.366e-04 / CHEB/ 4.711e-02 4.572e-02 1.817e-02 1.914e-03 / CHEB/ -1.797e-02 2.646e-02 1.047e-02 4.293e-04 / CHEB/ -2.034e-02 3.013e-03 4.057e-03 1.559e-03 /

3107.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+0.1	+2.1	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-0.5	+1.8	+2.9

Chebyshev(coeffs=[[1.30521,-1.51266,0.0266597,0.0951643],[7.19939,1.11756,-0.273818,-0.0910855],[0.409914,0.115958,0.062995,-0.0401494],[0.0364129,0.0498178,0.0455974,-0.00783334],[-0.0392475,0.0399554,0.024879,0.00205892],[-0.0427919,0.0152381,0.0144555,0.00433895]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.97
S298 (cal/mol*K) = 0.22
G298 (kcal/mol) = -21.03

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(311); H(25), C7H11(311); C7H10(1)+H(25)(+M)=>C7H11(311)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.305e+00 -1.513e+00 2.666e-02 9.516e-02 / CHEB/ 7.199e+00 1.118e+00 -2.738e-01 -9.109e-02 / CHEB/ 4.099e-01 1.160e-01 6.300e-02 -4.015e-02 / CHEB/ 3.641e-02 4.982e-02 4.560e-02 -7.833e-03 / CHEB/ -3.925e-02 3.996e-02 2.488e-02 2.059e-03 / CHEB/ -4.279e-02 1.524e-02 1.446e-02 4.339e-03 /

3108.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-11.0	-4.9	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-29.1	-11.0	-5.0	-1.9

Chebyshev(coeffs=[[-21.6062,-0.088937,-0.0475686,-0.0147728],[25.6831,0.0191947,0.00864615,0.0010892],[-0.035617,0.0344463,0.0147395,0.000839394],[0.0167591,0.0177595,0.00894874,0.002211],[0.0140767,0.00156251,0.00299151,0.00294219],[0.00725389,-0.00362076,-0.000451698,0.00127254]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.53
S298 (cal/mol*K) = 32.88
G298 (kcal/mol) = 71.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(312); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(312)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.161e+01 -8.894e-02 -4.757e-02 -1.477e-02 / CHEB/ 2.568e+01 1.919e-02 8.646e-03 1.089e-03 / CHEB/ -3.562e-02 3.445e-02 1.474e-02 8.394e-04 / CHEB/ 1.676e-02 1.776e-02 8.949e-03 2.211e-03 / CHEB/ 1.408e-02 1.563e-03 2.992e-03 2.942e-03 / CHEB/ 7.254e-03 -3.621e-03 -4.517e-04 1.273e-03 /

3109.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.4	-10.3	-4.2	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-28.5	-10.3	-4.2	-1.1

Chebyshev(coeffs=[[-20.9774,-0.088937,-0.0475686,-0.0147728],[25.7952,0.0191947,0.00864615,0.0010892],[-0.0108749,0.0344463,0.0147395,0.000839394],[0.0240436,0.0177595,0.00894874,0.002211],[0.0164886,0.00156251,0.00299151,0.00294219],[0.00810359,-0.00362076,-0.000451698,0.00127254]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.53
S298 (cal/mol*K) = 32.88
G298 (kcal/mol) = 71.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(313); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(313)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.098e+01 -8.894e-02 -4.757e-02 -1.477e-02 / CHEB/ 2.580e+01 1.919e-02 8.646e-03 1.089e-03 / CHEB/ -1.087e-02 3.445e-02 1.474e-02 8.394e-04 / CHEB/ 2.404e-02 1.776e-02 8.949e-03 2.211e-03 / CHEB/ 1.649e-02 1.563e-03 2.992e-03 2.942e-03 / CHEB/ 8.104e-03 -3.621e-03 -4.517e-04 1.273e-03 /

3110.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.8	-11.2	-4.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-29.9	-11.2	-4.9	-1.8

Chebyshev(coeffs=[[-22.3506,-0.0847306,-0.0458376,-0.0146703],[26.5513,0.0189577,0.0088172,0.00137036],[-0.0108389,0.0330016,0.0143829,0.00109564],[0.0253312,0.0163019,0.00829507,0.00212733],[0.0173734,0.00089247,0.00252137,0.00272968],[0.00847061,-0.00359019,-0.000554526,0.00114742]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.23
S298 (cal/mol*K) = 32.15
G298 (kcal/mol) = 74.65

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(314); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(314)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.235e+01 -8.473e-02 -4.584e-02 -1.467e-02 / CHEB/ 2.655e+01 1.896e-02 8.817e-03 1.370e-03 / CHEB/ -1.084e-02 3.300e-02 1.438e-02 1.096e-03 / CHEB/ 2.533e-02 1.630e-02 8.295e-03 2.127e-03 / CHEB/ 1.737e-02 8.925e-04 2.521e-03 2.730e-03 / CHEB/ 8.471e-03 -3.590e-03 -5.545e-04 1.147e-03 /

3111.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.1	-8.3	-3.0	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-24.2	-8.3	-3.0	-0.3

Chebyshev(coeffs=[[-16.8335,-0.109638,-0.0560532,-0.0157237],[22.4488,0.0195118,0.00748904,0.000200215],[0.00635147,0.0403081,0.0160749,-0.000191437],[0.0215782,0.0255949,0.0122976,0.00245571],[0.0126043,0.00577386,0.00544219,0.00362393],[0.0061168,-0.00345881,0.00013297,0.00178299]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.83
S298 (cal/mol*K) = 30.77
G298 (kcal/mol) = 61.66

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(254); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(254)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.683e+01 -1.096e-01 -5.605e-02 -1.572e-02 / CHEB/ 2.245e+01 1.951e-02 7.489e-03 2.002e-04 / CHEB/ 6.351e-03 4.031e-02 1.607e-02 -1.914e-04 / CHEB/ 2.158e-02 2.559e-02 1.230e-02 2.456e-03 / CHEB/ 1.260e-02 5.774e-03 5.442e-03 3.624e-03 / CHEB/ 6.117e-03 -3.459e-03 1.330e-04 1.783e-03 /

3112.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.3	-8.9	-3.4	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-25.4	-9.0	-3.4	-0.6

Chebyshev(coeffs=[[-18.0303,-0.10373,-0.0536027,-0.0153224],[23.3444,0.0193789,0.00775581,0.000302684],[-0.00347118,0.0388841,0.0157544,3.80101e-05],[0.0226933,0.0233436,0.011363,0.0024217],[0.0144574,0.00446442,0.00475388,0.00350498],[0.00668351,-0.00355759,-3.85645e-05,0.00166311]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.73
S298 (cal/mol*K) = 32.15
G298 (kcal/mol) = 64.15

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(315); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(315)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.803e+01 -1.037e-01 -5.360e-02 -1.532e-02 / CHEB/ 2.334e+01 1.938e-02 7.756e-03 3.027e-04 / CHEB/ -3.471e-03 3.888e-02 1.575e-02 3.801e-05 / CHEB/ 2.269e-02 2.334e-02 1.136e-02 2.422e-03 / CHEB/ 1.446e-02 4.464e-03 4.754e-03 3.505e-03 / CHEB/ 6.684e-03 -3.558e-03 -3.856e-05 1.663e-03 /

3113.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.2	-8.7	-3.2	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-25.3	-8.8	-3.2	-0.4

Chebyshev(coeffs=[[-17.9152,-0.10373,-0.0536027,-0.0153224],[23.4513,0.0193789,0.00775581,0.000302684],[0.0201273,0.0388841,0.0157544,3.80101e-05],[0.0296411,0.0233436,0.011363,0.0024217],[0.0167578,0.00446442,0.00475388,0.00350498],[0.00749394,-0.00355759,-3.85645e-05,0.00166311]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.73
S298 (cal/mol*K) = 32.15
G298 (kcal/mol) = 64.15

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(316); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(316)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.792e+01 -1.037e-01 -5.360e-02 -1.532e-02 / CHEB/ 2.345e+01 1.938e-02 7.756e-03 3.027e-04 / CHEB/ 2.013e-02 3.888e-02 1.575e-02 3.801e-05 / CHEB/ 2.964e-02 2.334e-02 1.136e-02 2.422e-03 / CHEB/ 1.676e-02 4.464e-03 4.754e-03 3.505e-03 / CHEB/ 7.494e-03 -3.558e-03 -3.856e-05 1.663e-03 /

3114.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+2.5	+3.9	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+2.2	+3.7	+4.4

Chebyshev(coeffs=[[5.68078,-1.07952,0.00210842,0.0299965],[4.23478,0.898005,-0.209668,-0.0437082],[0.480873,0.00836218,0.0984166,-0.0203029],[0.0477873,0.0173011,0.0365217,0.00503598],[-0.034682,0.037277,0.00383228,0.00394546],[-0.0393216,0.0147101,0.00143137,0.000951646]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.06
S298 (cal/mol*K) = 10.55
G298 (kcal/mol) = -10.20

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(317); H(25), C7H11(317); C7H10(1)+H(25)(+M)=>C7H11(317)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.681e+00 -1.080e+00 2.108e-03 3.000e-02 / CHEB/ 4.235e+00 8.980e-01 -2.097e-01 -4.371e-02 / CHEB/ 4.809e-01 8.362e-03 9.842e-02 -2.030e-02 / CHEB/ 4.779e-02 1.730e-02 3.652e-02 5.036e-03 / CHEB/ -3.468e-02 3.728e-02 3.832e-03 3.945e-03 / CHEB/ -3.932e-02 1.471e-02 1.431e-03 9.516e-04 /

3115.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.0	-6.3	-1.8	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-6.4	-1.9	+0.4

Chebyshev(coeffs=[[-12.9625,-0.134984,-0.067384,-0.0188328],[19.3841,0.0232981,0.00868703,0.00144162],[-0.0173093,0.0444296,0.0172807,-0.000396031],[0.00849111,0.0340306,0.0155153,0.00224298],[0.00486374,0.0109857,0.00771171,0.0035399],[0.00148931,-0.00287364,0.000740379,0.00206042]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.42
S298 (cal/mol*K) = 31.84
G298 (kcal/mol) = 49.93

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(318); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(318)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.296e+01 -1.350e-01 -6.738e-02 -1.883e-02 / CHEB/ 1.938e+01 2.330e-02 8.687e-03 1.442e-03 / CHEB/ -1.731e-02 4.443e-02 1.728e-02 -3.960e-04 / CHEB/ 8.491e-03 3.403e-02 1.552e-02 2.243e-03 / CHEB/ 4.864e-03 1.099e-02 7.712e-03 3.540e-03 / CHEB/ 1.489e-03 -2.874e-03 7.404e-04 2.060e-03 /

3116.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+0.7	+1.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+0.9	+2.0	+2.3

Chebyshev(coeffs=[[4.59655,0.111521,-0.163477,-0.0221705],[2.52155,1.35229,-0.21471,-0.0407833],[0.324022,0.0858206,0.0973928,-0.00607268],[0.050941,0.077446,0.0811333,-0.00162073],[-0.0896874,0.0636576,0.0318249,0.00468704],[-0.0987352,0.0241485,0.00504098,0.00478985]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.72
S298 (cal/mol*K) = -5.04
G298 (kcal/mol) = -13.22

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(319); H(25), C7H11(319); C7H10(1)+H(25)(+M)=>C7H11(319)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.597e+00 1.115e-01 -1.635e-01 -2.217e-02 / CHEB/ 2.522e+00 1.352e+00 -2.147e-01 -4.078e-02 / CHEB/ 3.240e-01 8.582e-02 9.739e-02 -6.073e-03 / CHEB/ 5.094e-02 7.745e-02 8.113e-02 -1.621e-03 / CHEB/ -8.969e-02 6.366e-02 3.182e-02 4.687e-03 / CHEB/ -9.874e-02 2.415e-02 5.041e-03 4.790e-03 /

3117.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	-0.4	+1.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.6	+1.7	+2.9

Chebyshev(coeffs=[[0.312779,-0.5516,-0.159865,0.00515733],[8.11297,0.341905,0.0458117,-0.03172],[0.434639,0.0698161,0.0367194,0.000259102],[0.0486643,0.0426065,0.0184021,0.0032969],[-0.0213058,0.0280388,0.00994059,0.000291894],[-0.0229783,0.00384841,0.00444053,0.00128625]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.43
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = -19.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(320); H(25), C7H11(320); C7H10(1)+H(25)(+M)=>C7H11(320)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.128e-01 -5.516e-01 -1.599e-01 5.157e-03 / CHEB/ 8.113e+00 3.419e-01 4.581e-02 -3.172e-02 / CHEB/ 4.346e-01 6.982e-02 3.672e-02 2.591e-04 / CHEB/ 4.866e-02 4.261e-02 1.840e-02 3.297e-03 / CHEB/ -2.131e-02 2.804e-02 9.941e-03 2.919e-04 / CHEB/ -2.298e-02 3.848e-03 4.441e-03 1.286e-03 /

3118.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.7	-15.0	-7.9	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-35.7	-15.0	-7.9	-4.3

Chebyshev(coeffs=[[-27.9236,-0.0703513,-0.039618,-0.0141038],[29.4051,0.0188103,0.00963807,0.00243087],[0.116066,0.0276845,0.0129612,0.00198519],[0.0638077,0.0113828,0.00604398,0.00179938],[0.0312583,-0.00118897,0.000928085,0.00186671],[0.0141517,-0.00345745,-0.000928077,0.000649824]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 92.73
S298 (cal/mol*K) = 23.13
G298 (kcal/mol) = 85.84

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(321); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.792e+01 -7.035e-02 -3.962e-02 -1.410e-02 / CHEB/ 2.941e+01 1.881e-02 9.638e-03 2.431e-03 / CHEB/ 1.161e-01 2.768e-02 1.296e-02 1.985e-03 / CHEB/ 6.381e-02 1.138e-02 6.044e-03 1.799e-03 / CHEB/ 3.126e-02 -1.189e-03 9.281e-04 1.867e-03 / CHEB/ 1.415e-02 -3.457e-03 -9.281e-04 6.498e-04 /

3144.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+1.0	+2.5	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+0.9	+2.5	+3.4

Chebyshev(coeffs=[[5.13678,-0.231232,-0.139972,-0.0596977],[3.18242,0.139412,0.0806076,0.0308015],[0.912619,0.0540556,0.0314923,0.0121117],[0.193298,0.0194122,0.0121287,0.00554253],[0.013762,-0.0118358,-0.0051841,-0.000308354],[-0.0118801,-0.0102469,-0.00545626,-0.00159859]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.62
S298 (cal/mol*K) = -22.36
G298 (kcal/mol) = -5.95

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(377); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(377)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.137e+00 -2.312e-01 -1.400e-01 -5.970e-02 / CHEB/ 3.182e+00 1.394e-01 8.061e-02 3.080e-02 / CHEB/ 9.126e-01 5.406e-02 3.149e-02 1.211e-02 / CHEB/ 1.933e-01 1.941e-02 1.213e-02 5.543e-03 / CHEB/ 1.376e-02 -1.184e-02 -5.184e-03 -3.084e-04 / CHEB/ -1.188e-02 -1.025e-02 -5.456e-03 -1.599e-03 /

3145.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.2	+2.9	+3.4	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+2.7	+3.3	+3.8

Chebyshev(coeffs=[[8.10124,-0.656524,-0.345754,-0.107715],[1.17552,0.50071,0.228542,0.0415785],[0.329674,0.0649659,0.0579929,0.0349952],[0.121375,0.0292216,0.0175432,0.00910704],[0.0431794,0.00887493,0.00407839,0.000878327],[0.00888685,-0.00435719,-0.00135729,0.000234687]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.89
S298 (cal/mol*K) = -45.38
G298 (kcal/mol) = -36.37

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(378); C2H4(72), C7H11(378); C5H7(210)+C2H4(72)(+M)=>C7H11(378)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.101e+00 -6.565e-01 -3.458e-01 -1.077e-01 / CHEB/ 1.176e+00 5.007e-01 2.285e-01 4.158e-02 / CHEB/ 3.297e-01 6.497e-02 5.799e-02 3.500e-02 / CHEB/ 1.214e-01 2.922e-02 1.754e-02 9.107e-03 / CHEB/ 4.318e-02 8.875e-03 4.078e-03 8.783e-04 / CHEB/ 8.887e-03 -4.357e-03 -1.357e-03 2.347e-04 /

3146.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+2.9	+3.4	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+2.7	+3.3	+3.7

Chebyshev(coeffs=[[8.02092,-0.666388,-0.35373,-0.112894],[1.25494,0.487938,0.220528,0.0376823],[0.320946,0.0528369,0.0505677,0.0317662],[0.0928165,0.0267324,0.0161598,0.00864839],[0.0206858,0.0123263,0.00641544,0.00210373],[-0.00373051,0.000510826,0.00179578,0.00178634]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.89
S298 (cal/mol*K) = -45.38
G298 (kcal/mol) = -36.37

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(379); C2H4(72), C7H11(379); C5H7(210)+C2H4(72)(+M)=>C7H11(379)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.021e+00 -6.664e-01 -3.537e-01 -1.129e-01 / CHEB/ 1.255e+00 4.879e-01 2.205e-01 3.768e-02 / CHEB/ 3.209e-01 5.284e-02 5.057e-02 3.177e-02 / CHEB/ 9.282e-02 2.673e-02 1.616e-02 8.648e-03 / CHEB/ 2.069e-02 1.233e-02 6.415e-03 2.104e-03 / CHEB/ -3.731e-03 5.108e-04 1.796e-03 1.786e-03 /

3147.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+3.5	+4.0	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.3	+3.9	+4.4

Chebyshev(coeffs=[[9.08306,-0.275223,-0.163786,-0.067398],[0.725155,0.12855,0.0722757,0.0257881],[0.320355,0.0656276,0.0354705,0.0109744],[0.137058,0.027371,0.0158255,0.00606221],[0.0513206,-0.00934862,-0.00303484,0.00115736],[0.0218244,-0.00905514,-0.00411425,-0.000487092]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -75.49
S298 (cal/mol*K) = -52.26
G298 (kcal/mol) = -59.92

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(380); C2H4(72), C7H11(380); C5H7(210)+C2H4(72)(+M)=>C7H11(380)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.083e+00 -2.752e-01 -1.638e-01 -6.740e-02 / CHEB/ 7.252e-01 1.285e-01 7.228e-02 2.579e-02 / CHEB/ 3.204e-01 6.563e-02 3.547e-02 1.097e-02 / CHEB/ 1.371e-01 2.737e-02 1.583e-02 6.062e-03 / CHEB/ 5.132e-02 -9.349e-03 -3.035e-03 1.157e-03 / CHEB/ 2.182e-02 -9.055e-03 -4.114e-03 -4.871e-04 /

3148.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.3	+3.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+3.2	+3.7	+3.9

Chebyshev(coeffs=[[8.85044,-0.268391,-0.159938,-0.0659484],[0.724355,0.135935,0.077253,0.0282766],[0.256195,0.0684808,0.0375877,0.0122842],[0.0731695,0.0272745,0.0160368,0.00641721],[0.00299568,-0.0110715,-0.00392083,0.000932065],[-0.0100378,-0.0113081,-0.00540841,-0.000961376]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.99
S298 (cal/mol*K) = -42.68
G298 (kcal/mol) = -49.27

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(381); C2H4(72), C7H11(381); C5H7(210)+C2H4(72)(+M)=>C7H11(381)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.850e+00 -2.684e-01 -1.599e-01 -6.595e-02 / CHEB/ 7.244e-01 1.359e-01 7.725e-02 2.828e-02 / CHEB/ 2.562e-01 6.848e-02 3.759e-02 1.228e-02 / CHEB/ 7.317e-02 2.727e-02 1.604e-02 6.417e-03 / CHEB/ 2.996e-03 -1.107e-02 -3.921e-03 9.321e-04 / CHEB/ -1.004e-02 -1.131e-02 -5.408e-03 -9.614e-04 /

3149.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+3.5	+3.5	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+4.3	+4.3	+4.1

Chebyshev(coeffs=[[9.03265,1.28378,-0.377606,-0.118203],[0.14547,0.461546,0.202759,0.0295339],[0.11421,0.0645934,0.0544836,0.0302832],[-0.0165942,0.0412757,0.0231871,0.00996962],[-0.0921556,0.020761,0.0106158,0.00319918],[-0.0729732,0.00421276,0.00374524,0.0023551]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.99
S298 (cal/mol*K) = -42.68
G298 (kcal/mol) = -49.27

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(382); C2H4(72), C7H11(382); C5H7(210)+C2H4(72)(+M)=>C7H11(382)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.033e+00 1.284e+00 -3.776e-01 -1.182e-01 / CHEB/ 1.455e-01 4.615e-01 2.028e-01 2.953e-02 / CHEB/ 1.142e-01 6.459e-02 5.448e-02 3.028e-02 / CHEB/ -1.659e-02 4.128e-02 2.319e-02 9.970e-03 / CHEB/ -9.216e-02 2.076e-02 1.062e-02 3.199e-03 / CHEB/ -7.297e-02 4.213e-03 3.745e-03 2.355e-03 /

3150.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-0.7	+2.0	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-0.8	+2.0	+3.5

Chebyshev(coeffs=[[0.102883,-0.153932,-0.097714,-0.0459257],[8.39808,0.0767768,0.0472414,0.0207913],[0.795606,0.0455557,0.0278959,0.0121026],[0.200151,0.0171043,0.0108033,0.00503183],[0.0129504,-0.00918806,-0.00475765,-0.00121635],[-0.015071,-0.0083639,-0.00476691,-0.00172509]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.82
S298 (cal/mol*K) = -1.13
G298 (kcal/mol) = 21.16

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H7(383); C2H4(72), C3H4(73); C5H7(210)+C2H4(72)(+M)=>C3H4(73)+C4H7(383)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.029e-01 -1.539e-01 -9.771e-02 -4.593e-02 / CHEB/ 8.398e+00 7.678e-02 4.724e-02 2.079e-02 / CHEB/ 7.956e-01 4.556e-02 2.790e-02 1.210e-02 / CHEB/ 2.002e-01 1.710e-02 1.080e-02 5.032e-03 / CHEB/ 1.295e-02 -9.188e-03 -4.758e-03 -1.216e-03 / CHEB/ -1.507e-02 -8.364e-03 -4.767e-03 -1.725e-03 /

3151.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-3.2	-0.8	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-3.3	-0.9	+0.5

Chebyshev(coeffs=[[-1.31242,-0.176496,-0.110442,-0.0504493],[6.68244,0.095089,0.0573749,0.0242],[0.902733,0.0480533,0.0289974,0.0121613],[0.201651,0.0175326,0.0110432,0.00512035],[0.0110421,-0.0100107,-0.00495502,-0.00101517],[-0.0143104,-0.00887312,-0.00496175,-0.00170089]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.71
S298 (cal/mol*K) = -25.22
G298 (kcal/mol) = 20.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(384); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(384)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.312e+00 -1.765e-01 -1.104e-01 -5.045e-02 / CHEB/ 6.682e+00 9.509e-02 5.737e-02 2.420e-02 / CHEB/ 9.027e-01 4.805e-02 2.900e-02 1.216e-02 / CHEB/ 2.017e-01 1.753e-02 1.104e-02 5.120e-03 / CHEB/ 1.104e-02 -1.001e-02 -4.955e-03 -1.015e-03 / CHEB/ -1.431e-02 -8.873e-03 -4.962e-03 -1.701e-03 /

3152.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-4.2	-1.2	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-4.3	-1.2	+0.4

Chebyshev(coeffs=[[-4.40854,-0.13806,-0.0885384,-0.0424495],[9.90376,0.0648506,0.0404599,0.0183326],[0.715133,0.0428884,0.0265762,0.0118379],[0.194955,0.0167148,0.0105962,0.00496831],[0.0150459,-0.00843732,-0.00450707,-0.00130637],[-0.0149502,-0.00794243,-0.00459772,-0.00173538]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.21
S298 (cal/mol*K) = -15.64
G298 (kcal/mol) = 30.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(76); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.409e+00 -1.381e-01 -8.854e-02 -4.245e-02 / CHEB/ 9.904e+00 6.485e-02 4.046e-02 1.833e-02 / CHEB/ 7.151e-01 4.289e-02 2.658e-02 1.184e-02 / CHEB/ 1.950e-01 1.671e-02 1.060e-02 4.968e-03 / CHEB/ 1.505e-02 -8.437e-03 -4.507e-03 -1.306e-03 / CHEB/ -1.495e-02 -7.942e-03 -4.598e-03 -1.735e-03 /

3153.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-3.4	-0.4	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-3.5	-0.4	+1.3

Chebyshev(coeffs=[[-3.81733,-0.241126,-0.147701,-0.0645346],[10.1416,0.133819,0.0735721,0.0241782],[0.748548,0.0485465,0.0343255,0.019121],[0.195971,0.0223737,0.0134178,0.00572029],[0.0148555,-0.000556251,0.000158254,0.000525932],[-0.0161442,-0.00542779,-0.00249422,-0.000288095]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.21
S298 (cal/mol*K) = -15.64
G298 (kcal/mol) = 30.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(167); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.817e+00 -2.411e-01 -1.477e-01 -6.453e-02 / CHEB/ 1.014e+01 1.338e-01 7.357e-02 2.418e-02 / CHEB/ 7.485e-01 4.855e-02 3.433e-02 1.912e-02 / CHEB/ 1.960e-01 2.237e-02 1.342e-02 5.720e-03 / CHEB/ 1.486e-02 -5.563e-04 1.583e-04 5.259e-04 / CHEB/ -1.614e-02 -5.428e-03 -2.494e-03 -2.881e-04 /

3154.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-6.4	-2.6	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-6.4	-2.6	-0.6

Chebyshev(coeffs=[[-8.78225,-0.111745,-0.0728992,-0.0361076],[13.3354,0.0470196,0.0300267,0.0142622],[0.625267,0.0370253,0.0234392,0.0109259],[0.191922,0.0155778,0.00998226,0.00477693],[0.0224618,-0.0069336,-0.00389718,-0.00134195],[-0.012162,-0.00704206,-0.00420131,-0.00171192]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.31
S298 (cal/mol*K) = -18.34
G298 (kcal/mol) = 43.77

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(385); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(385)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.782e+00 -1.117e-01 -7.290e-02 -3.611e-02 / CHEB/ 1.334e+01 4.702e-02 3.003e-02 1.426e-02 / CHEB/ 6.253e-01 3.703e-02 2.344e-02 1.093e-02 / CHEB/ 1.919e-01 1.558e-02 9.982e-03 4.777e-03 / CHEB/ 2.246e-02 -6.934e-03 -3.897e-03 -1.342e-03 / CHEB/ -1.216e-02 -7.042e-03 -4.201e-03 -1.712e-03 /

3155.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-6.8	-3.0	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-6.8	-3.0	-1.0

Chebyshev(coeffs=[[-9.20918,-0.111958,-0.0730279,-0.0361619],[13.3951,0.0471551,0.0301074,0.0142951],[0.646295,0.0370777,0.0234683,0.0109355],[0.197933,0.0155903,0.00998918,0.00477923],[0.024388,-0.00694661,-0.00390289,-0.00134224],[-0.0114913,-0.00705049,-0.00420524,-0.00171243]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.31
S298 (cal/mol*K) = -18.34
G298 (kcal/mol) = 43.77

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(386); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(386)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.209e+00 -1.120e-01 -7.303e-02 -3.616e-02 / CHEB/ 1.340e+01 4.716e-02 3.011e-02 1.430e-02 / CHEB/ 6.463e-01 3.708e-02 2.347e-02 1.094e-02 / CHEB/ 1.979e-01 1.559e-02 9.989e-03 4.779e-03 / CHEB/ 2.439e-02 -6.947e-03 -3.903e-03 -1.342e-03 / CHEB/ -1.149e-02 -7.050e-03 -4.205e-03 -1.712e-03 /

3156.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	-0.9	+0.4	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-3.1	-0.9	+0.4	+1.1

Chebyshev(coeffs=[[3.76321,-0.242092,-0.145777,-0.061472],[2.41239,0.14212,0.0817459,0.0308348],[0.761193,0.0587186,0.0336425,0.012406],[0.174167,0.0208211,0.0128746,0.00575885],[0.0110413,-0.0121993,-0.00512444,-3.23798e-05],[-0.0126974,-0.0107346,-0.0055803,-0.00149534]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.52
S298 (cal/mol*K) = -48.45
G298 (kcal/mol) = -30.09

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(387); C2H4(72), C7H11(387); C5H7(210)+C2H4(72)(+M)=>C7H11(387)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.763e+00 -2.421e-01 -1.458e-01 -6.147e-02 / CHEB/ 2.412e+00 1.421e-01 8.175e-02 3.083e-02 / CHEB/ 7.612e-01 5.872e-02 3.364e-02 1.241e-02 / CHEB/ 1.742e-01 2.082e-02 1.287e-02 5.759e-03 / CHEB/ 1.104e-02 -1.220e-02 -5.124e-03 -3.238e-05 / CHEB/ -1.270e-02 -1.073e-02 -5.580e-03 -1.495e-03 /

3157.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.3	-9.1	-4.0	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-23.4	-9.1	-4.1	-1.5

Chebyshev(coeffs=[[-15.926,-0.0734184,-0.049094,-0.0254424],[20.0071,0.0253573,0.0167695,0.00851515],[0.34068,0.0261376,0.0170843,0.0084856],[0.123731,0.0123604,0.00812025,0.00407342],[0.012429,-0.00447095,-0.0027042,-0.0011358],[-0.013065,-0.00519738,-0.00326219,-0.00149221]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.74
S298 (cal/mol*K) = -7.75
G298 (kcal/mol) = 56.05

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(388); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(388)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.593e+01 -7.342e-02 -4.909e-02 -2.544e-02 / CHEB/ 2.001e+01 2.536e-02 1.677e-02 8.515e-03 / CHEB/ 3.407e-01 2.614e-02 1.708e-02 8.486e-03 / CHEB/ 1.237e-01 1.236e-02 8.120e-03 4.073e-03 / CHEB/ 1.243e-02 -4.471e-03 -2.704e-03 -1.136e-03 / CHEB/ -1.307e-02 -5.197e-03 -3.262e-03 -1.492e-03 /

3158.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.0	-5.8	-2.1	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-5.9	-2.1	-0.0

Chebyshev(coeffs=[[-7.60272,-0.119151,-0.0773052,-0.0378968],[12.4652,0.055255,0.0350047,0.0163645],[0.852969,0.0381545,0.024075,0.0111453],[0.239942,0.0152469,0.00978009,0.00469168],[0.0332805,-0.00760956,-0.0042366,-0.00141689],[-0.00872293,-0.00724141,-0.00430399,-0.00173812]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.91
S298 (cal/mol*K) = -17.59
G298 (kcal/mol) = 39.15

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(389); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(389)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.603e+00 -1.192e-01 -7.731e-02 -3.790e-02 / CHEB/ 1.247e+01 5.526e-02 3.500e-02 1.636e-02 / CHEB/ 8.530e-01 3.815e-02 2.408e-02 1.115e-02 / CHEB/ 2.399e-01 1.525e-02 9.780e-03 4.692e-03 / CHEB/ 3.328e-02 -7.610e-03 -4.237e-03 -1.417e-03 / CHEB/ -8.723e-03 -7.241e-03 -4.304e-03 -1.738e-03 /

3159.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+2.1	+2.7	+3.0
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+2.0	+2.6	+3.0

Chebyshev(coeffs=[[7.41733,-0.25421,-0.152295,-0.0635138],[1.06853,0.141408,0.0809242,0.0301304],[0.407073,0.0642052,0.0360589,0.0126074],[0.0915392,0.0236225,0.0143008,0.00611627],[-0.00810978,-0.0121311,-0.00476881,0.00039646],[-0.0183713,-0.0113239,-0.00567305,-0.00129657]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.99
S298 (cal/mol*K) = -26.11
G298 (kcal/mol) = -21.21

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(390); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(390)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.417e+00 -2.542e-01 -1.523e-01 -6.351e-02 / CHEB/ 1.069e+00 1.414e-01 8.092e-02 3.013e-02 / CHEB/ 4.071e-01 6.421e-02 3.606e-02 1.261e-02 / CHEB/ 9.154e-02 2.362e-02 1.430e-02 6.116e-03 / CHEB/ -8.110e-03 -1.213e-02 -4.769e-03 3.965e-04 / CHEB/ -1.837e-02 -1.132e-02 -5.673e-03 -1.297e-03 /

3160.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+2.6	+3.3	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.5	+3.2	+3.7

Chebyshev(coeffs=[[7.72939,-0.266062,-0.15756,-0.0642399],[1.37886,0.140757,0.0794941,0.0287597],[0.459096,0.068407,0.0374125,0.0121771],[0.113971,0.0268227,0.0156949,0.00623496],[0.00251386,-0.0111252,-0.0039748,0.000844341],[-0.0142474,-0.0114433,-0.00540514,-0.000913802]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.70
S298 (cal/mol*K) = -42.50
G298 (kcal/mol) = -47.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(391); C2H4(72), C7H11(391); C5H7(210)+C2H4(72)(+M)=>C7H11(391)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.729e+00 -2.661e-01 -1.576e-01 -6.424e-02 / CHEB/ 1.379e+00 1.408e-01 7.949e-02 2.876e-02 / CHEB/ 4.591e-01 6.841e-02 3.741e-02 1.218e-02 / CHEB/ 1.140e-01 2.682e-02 1.569e-02 6.235e-03 / CHEB/ 2.514e-03 -1.113e-02 -3.975e-03 8.443e-04 / CHEB/ -1.425e-02 -1.144e-02 -5.405e-03 -9.138e-04 /

3161.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+1.7	+2.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+0.4	+1.5	+2.2	+2.6

Chebyshev(coeffs=[[6.91481,-0.650114,-0.35573,-0.119816],[1.12664,0.374069,0.190567,0.0506382],[0.385199,0.180477,0.0953852,0.0284707],[0.120997,0.0757031,0.042091,0.0149595],[0.0103447,-0.0158071,-0.00220976,0.00520697],[-0.0109473,-0.0284058,-0.0115847,-0.000198882]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -47.20
S298 (cal/mol*K) = -44.55
G298 (kcal/mol) = -33.93

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(392); C2H4(72), C7H11(392); C5H7(210)+C2H4(72)(+M)=>C7H11(392)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.915e+00 -6.501e-01 -3.557e-01 -1.198e-01 / CHEB/ 1.127e+00 3.741e-01 1.906e-01 5.064e-02 / CHEB/ 3.852e-01 1.805e-01 9.539e-02 2.847e-02 / CHEB/ 1.210e-01 7.570e-02 4.209e-02 1.496e-02 / CHEB/ 1.034e-02 -1.581e-02 -2.210e-03 5.207e-03 / CHEB/ -1.095e-02 -2.841e-02 -1.158e-02 -1.989e-04 /

3162.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+2.4	+3.1	+3.6
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+2.3	+3.1	+3.6

Chebyshev(coeffs=[[7.56983,-0.269812,-0.15971,-0.0650417],[1.36919,0.134119,0.0757951,0.0274294],[0.480219,0.0679706,0.0365898,0.0113519],[0.126545,0.0290455,0.0165101,0.00610725],[0.00798674,-0.00906857,-0.00287828,0.00115939],[-0.0124753,-0.010491,-0.00466811,-0.000475024]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.30
S298 (cal/mol*K) = -41.85
G298 (kcal/mol) = -46.83

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(393); C2H4(72), C7H11(393); C5H7(210)+C2H4(72)(+M)=>C7H11(393)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.570e+00 -2.698e-01 -1.597e-01 -6.504e-02 / CHEB/ 1.369e+00 1.341e-01 7.580e-02 2.743e-02 / CHEB/ 4.802e-01 6.797e-02 3.659e-02 1.135e-02 / CHEB/ 1.265e-01 2.905e-02 1.651e-02 6.107e-03 / CHEB/ 7.987e-03 -9.069e-03 -2.878e-03 1.159e-03 / CHEB/ -1.248e-02 -1.049e-02 -4.668e-03 -4.750e-04 /

3163.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	-0.4	+0.8	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-2.2	-0.5	+0.8	+1.7

Chebyshev(coeffs=[[4.62321,-0.593366,-0.322385,-0.1061],[1.94329,0.423714,0.222554,0.0660586],[0.772837,0.164323,0.0874356,0.0264162],[0.277434,0.0363185,0.0184399,0.00482944],[0.0610631,-0.043157,-0.0194277,-0.00267501],[-0.00219486,-0.0351781,-0.0162264,-0.00252585]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.00
S298 (cal/mol*K) = -44.97
G298 (kcal/mol) = -31.60

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(394); C2H4(72), C7H11(394); C5H7(210)+C2H4(72)(+M)=>C7H11(394)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.623e+00 -5.934e-01 -3.224e-01 -1.061e-01 / CHEB/ 1.943e+00 4.237e-01 2.226e-01 6.606e-02 / CHEB/ 7.728e-01 1.643e-01 8.744e-02 2.642e-02 / CHEB/ 2.774e-01 3.632e-02 1.844e-02 4.829e-03 / CHEB/ 6.106e-02 -4.316e-02 -1.943e-02 -2.675e-03 / CHEB/ -2.195e-03 -3.518e-02 -1.623e-02 -2.526e-03 /

3164.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+3.8	+3.5	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+4.0	+4.5	+4.4	+4.2

Chebyshev(coeffs=[[9.07199,1.30843,-0.375687,-0.124276],[0.323461,0.347576,0.17446,0.0437145],[-0.0546499,0.189245,0.0955293,0.0243797],[-0.116169,0.0883042,0.0460551,0.013666],[-0.0625274,-0.0106349,0.000578234,0.00596538],[-0.0180229,-0.0285954,-0.0105364,0.0010399]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.30
S298 (cal/mol*K) = -41.85
G298 (kcal/mol) = -46.83

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(395); C2H4(72), C7H11(395); C5H7(210)+C2H4(72)(+M)=>C7H11(395)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.072e+00 1.308e+00 -3.757e-01 -1.243e-01 / CHEB/ 3.235e-01 3.476e-01 1.745e-01 4.371e-02 / CHEB/ -5.465e-02 1.892e-01 9.553e-02 2.438e-02 / CHEB/ -1.162e-01 8.830e-02 4.606e-02 1.367e-02 / CHEB/ -6.253e-02 -1.063e-02 5.782e-04 5.965e-03 / CHEB/ -1.802e-02 -2.860e-02 -1.054e-02 1.040e-03 /

3165.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.0	-8.6	-3.6	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-23.0	-8.7	-3.6	-0.9

Chebyshev(coeffs=[[-15.5398,-0.0729433,-0.0487908,-0.0252987],[20.1244,0.0251185,0.0166188,0.00844528],[0.339471,0.0259903,0.0169947,0.00844742],[0.123415,0.0123077,0.00808848,0.00406014],[0.0124626,-0.00443997,-0.00268789,-0.0011314],[-0.0130098,-0.0051706,-0.00324749,-0.00148754]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.32
S298 (cal/mol*K) = -4.72
G298 (kcal/mol) = 55.73

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(396); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(396)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.554e+01 -7.294e-02 -4.879e-02 -2.530e-02 / CHEB/ 2.012e+01 2.512e-02 1.662e-02 8.445e-03 / CHEB/ 3.395e-01 2.599e-02 1.699e-02 8.447e-03 / CHEB/ 1.234e-01 1.231e-02 8.088e-03 4.060e-03 / CHEB/ 1.246e-02 -4.440e-03 -2.688e-03 -1.131e-03 / CHEB/ -1.301e-02 -5.171e-03 -3.247e-03 -1.488e-03 /

3168.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+1.0	+2.4	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+1.0	+2.4	+3.2

Chebyshev(coeffs=[[5.36387,-0.178584,-0.106652,-0.0483402],[2.87971,0.101582,0.0578131,0.0259957],[0.764756,0.0497501,0.029883,0.0119014],[0.16237,0.0187182,0.0114285,0.00495651],[0.00257902,-0.00968981,-0.00508426,-0.00131366],[-0.0182656,-0.00882438,-0.0050983,-0.00195688]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.49
S298 (cal/mol*K) = -11.05
G298 (kcal/mol) = -20.20

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(377); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(377)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.364e+00 -1.786e-01 -1.067e-01 -4.834e-02 / CHEB/ 2.880e+00 1.016e-01 5.781e-02 2.600e-02 / CHEB/ 7.648e-01 4.975e-02 2.988e-02 1.190e-02 / CHEB/ 1.624e-01 1.872e-02 1.143e-02 4.957e-03 / CHEB/ 2.579e-03 -9.690e-03 -5.084e-03 -1.314e-03 / CHEB/ -1.827e-02 -8.824e-03 -5.098e-03 -1.957e-03 /

3169.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+1.6	+2.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-0.3	+1.5	+2.6	+3.2

Chebyshev(coeffs=[[6.31741,-0.185019,-0.110056,-0.0496974],[2.16556,0.101449,0.0574235,0.0258197],[0.579746,0.0528726,0.0315224,0.012372],[0.13425,0.0202982,0.0122473,0.00526663],[0.00173711,-0.00978894,-0.00503874,-0.00117815],[-0.0174719,-0.00923953,-0.00526997,-0.00196202]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.77
S298 (cal/mol*K) = -34.07
G298 (kcal/mol) = -50.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(378); H(25), C7H11(378); C7H10(18)+H(25)(+M)=>C7H11(378)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.317e+00 -1.850e-01 -1.101e-01 -4.970e-02 / CHEB/ 2.166e+00 1.014e-01 5.742e-02 2.582e-02 / CHEB/ 5.797e-01 5.287e-02 3.152e-02 1.237e-02 / CHEB/ 1.342e-01 2.030e-02 1.225e-02 5.267e-03 / CHEB/ 1.737e-03 -9.789e-03 -5.039e-03 -1.178e-03 / CHEB/ -1.747e-02 -9.240e-03 -5.270e-03 -1.962e-03 /

3170.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+0.0	+1.2	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-2.3	-0.0	+1.2	+1.9

Chebyshev(coeffs=[[4.5135,-0.180764,-0.10783,-0.0488166],[2.59921,0.101131,0.0574585,0.0258346],[0.672898,0.0505858,0.030301,0.0120065],[0.144221,0.0192375,0.0116911,0.00505088],[0.00395382,-0.00967024,-0.0050465,-0.00126523],[-0.0179696,-0.00892607,-0.00513831,-0.00195415]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.77
S298 (cal/mol*K) = -34.07
G298 (kcal/mol) = -50.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(379); H(25), C7H11(379); C7H10(18)+H(25)(+M)=>C7H11(379)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.513e+00 -1.808e-01 -1.078e-01 -4.882e-02 / CHEB/ 2.599e+00 1.011e-01 5.746e-02 2.583e-02 / CHEB/ 6.729e-01 5.059e-02 3.030e-02 1.201e-02 / CHEB/ 1.442e-01 1.924e-02 1.169e-02 5.051e-03 / CHEB/ 3.954e-03 -9.670e-03 -5.046e-03 -1.265e-03 / CHEB/ -1.797e-02 -8.926e-03 -5.138e-03 -1.954e-03 /

3171.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.2	+2.9	+3.2	+3.3
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+2.8	+3.2	+3.3

Chebyshev(coeffs=[[8.24995,-0.196274,-0.116041,-0.0521209],[0.910456,0.0976221,0.0546777,0.0246134],[0.149637,0.0572216,0.0336906,0.0128677],[0.0218124,0.0239077,0.014131,0.00598034],[-0.0196242,-0.00911146,-0.00448375,-0.000709499],[-0.0205095,-0.00975505,-0.0054196,-0.00184541]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -86.37
S298 (cal/mol*K) = -40.95
G298 (kcal/mol) = -74.17

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(380); H(25), C7H11(380); C7H10(18)+H(25)(+M)=>C7H11(380)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.250e+00 -1.963e-01 -1.160e-01 -5.212e-02 / CHEB/ 9.105e-01 9.762e-02 5.468e-02 2.461e-02 / CHEB/ 1.496e-01 5.722e-02 3.369e-02 1.287e-02 / CHEB/ 2.181e-02 2.391e-02 1.413e-02 5.980e-03 / CHEB/ -1.962e-02 -9.111e-03 -4.484e-03 -7.095e-04 / CHEB/ -2.051e-02 -9.755e-03 -5.420e-03 -1.845e-03 /

3172.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+4.8	+5.1	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+4.5	+5.0	+5.1

Chebyshev(coeffs=[[10.2392,-0.654532,-0.249856,-0.0336795],[0.666451,0.343421,0.0947292,-0.00581008],[0.202682,0.190265,0.0696856,-0.00190144],[0.0536772,0.0759531,0.0363177,0.00590943],[-0.0143333,-0.00654972,0.00689653,0.00889782],[-0.0205648,-0.0202838,-0.00335913,0.00419752]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.87
S298 (cal/mol*K) = -31.37
G298 (kcal/mol) = -63.52

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(381); H(25), C7H11(381); C7H10(18)+H(25)(+M)=>C7H11(381)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.024e+01 -6.545e-01 -2.499e-01 -3.368e-02 / CHEB/ 6.665e-01 3.434e-01 9.473e-02 -5.810e-03 / CHEB/ 2.027e-01 1.903e-01 6.969e-02 -1.901e-03 / CHEB/ 5.368e-02 7.595e-02 3.632e-02 5.909e-03 / CHEB/ -1.433e-02 -6.550e-03 6.897e-03 8.898e-03 / CHEB/ -2.056e-02 -2.028e-02 -3.359e-03 4.198e-03 /

3173.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+4.4	+4.8	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+4.3	+4.7	+4.9

Chebyshev(coeffs=[[9.65709,-0.195207,-0.115451,-0.0518722],[1.0581,0.0985148,0.0552367,0.0248644],[0.207705,0.0571887,0.03371,0.0129131],[0.0441494,0.0236319,0.0139955,0.00593265],[-0.0122255,-0.00926233,-0.00457815,-0.000769309],[-0.017503,-0.00977779,-0.00544455,-0.00187662]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.87
S298 (cal/mol*K) = -31.37
G298 (kcal/mol) = -63.52

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(382); H(25), C7H11(382); C7H10(18)+H(25)(+M)=>C7H11(382)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.657e+00 -1.952e-01 -1.155e-01 -5.187e-02 / CHEB/ 1.058e+00 9.851e-02 5.524e-02 2.486e-02 / CHEB/ 2.077e-01 5.719e-02 3.371e-02 1.291e-02 / CHEB/ 4.415e-02 2.363e-02 1.400e-02 5.933e-03 / CHEB/ -1.223e-02 -9.262e-03 -4.578e-03 -7.693e-04 / CHEB/ -1.750e-02 -9.778e-03 -5.445e-03 -1.877e-03 /

3174.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-0.2	+2.1	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.2	+2.1	+3.4

Chebyshev(coeffs=[[2.00397,-0.143961,-0.0878536,-0.0407536],[6.27305,0.0808127,0.047063,0.0215292],[0.944784,0.0416451,0.0256955,0.0108246],[0.169103,0.0158696,0.010001,0.00449801],[-0.00459881,-0.00826513,-0.00468991,-0.00153811],[-0.0210473,-0.00757724,-0.0045175,-0.00187492]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.94
S298 (cal/mol*K) = 10.18
G298 (kcal/mol) = 6.91

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H7(383); H(25), C3H4(73); C7H10(18)+H(25)(+M)=>C3H4(73)+C4H7(383)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.004e+00 -1.440e-01 -8.785e-02 -4.075e-02 / CHEB/ 6.273e+00 8.081e-02 4.706e-02 2.153e-02 / CHEB/ 9.448e-01 4.165e-02 2.570e-02 1.082e-02 / CHEB/ 1.691e-01 1.587e-02 1.000e-02 4.498e-03 / CHEB/ -4.599e-03 -8.265e-03 -4.690e-03 -1.538e-03 / CHEB/ -2.105e-02 -7.577e-03 -4.517e-03 -1.875e-03 /

3175.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-2.8	-0.8	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-2.9	-0.8	+0.3

Chebyshev(coeffs=[[0.13013,-0.157775,-0.0955073,-0.0438934],[5.04028,0.0915683,0.0529457,0.0240056],[0.985366,0.0428233,0.0261771,0.0108278],[0.163448,0.0167443,0.0104703,0.00462191],[-0.00310651,-0.0087299,-0.00482857,-0.00147115],[-0.020305,-0.00793413,-0.00469651,-0.00190547]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.83
S298 (cal/mol*K) = -13.91
G298 (kcal/mol) = 5.98

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(384); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(384)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.301e-01 -1.578e-01 -9.551e-02 -4.389e-02 / CHEB/ 5.040e+00 9.157e-02 5.295e-02 2.401e-02 / CHEB/ 9.854e-01 4.282e-02 2.618e-02 1.083e-02 / CHEB/ 1.634e-01 1.674e-02 1.047e-02 4.622e-03 / CHEB/ -3.107e-03 -8.730e-03 -4.829e-03 -1.471e-03 / CHEB/ -2.030e-02 -7.934e-03 -4.697e-03 -1.905e-03 /

3176.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-3.6	-1.0	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-3.6	-1.1	+0.3

Chebyshev(coeffs=[[-2.20885,-0.132142,-0.0812282,-0.0379449],[7.49303,0.0713444,0.0417864,0.0191798],[0.87648,0.0405903,0.0252764,0.010851],[0.176005,0.0153123,0.00968036,0.00443599],[-0.00357808,-0.0078791,-0.00455698,-0.00159202],[-0.0215101,-0.00728584,-0.00437022,-0.00184888]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.33
S298 (cal/mol*K) = -4.33
G298 (kcal/mol) = 16.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(76); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.209e+00 -1.321e-01 -8.123e-02 -3.794e-02 / CHEB/ 7.493e+00 7.134e-02 4.179e-02 1.918e-02 / CHEB/ 8.765e-01 4.059e-02 2.528e-02 1.085e-02 / CHEB/ 1.760e-01 1.531e-02 9.680e-03 4.436e-03 / CHEB/ -3.578e-03 -7.879e-03 -4.557e-03 -1.592e-03 / CHEB/ -2.151e-02 -7.286e-03 -4.370e-03 -1.849e-03 /

3177.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-3.6	-1.0	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-3.6	-1.1	+0.3

Chebyshev(coeffs=[[-2.20885,-0.132142,-0.0812282,-0.0379449],[7.49304,0.0713444,0.0417864,0.0191798],[0.87648,0.0405903,0.0252764,0.010851],[0.176005,0.0153123,0.00968036,0.00443599],[-0.00357807,-0.0078791,-0.00455698,-0.00159202],[-0.0215101,-0.00728584,-0.00437022,-0.00184888]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.33
S298 (cal/mol*K) = -4.33
G298 (kcal/mol) = 16.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(167); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.209e+00 -1.321e-01 -8.123e-02 -3.794e-02 / CHEB/ 7.493e+00 7.134e-02 4.179e-02 1.918e-02 / CHEB/ 8.765e-01 4.059e-02 2.528e-02 1.085e-02 / CHEB/ 1.760e-01 1.531e-02 9.680e-03 4.436e-03 / CHEB/ -3.578e-03 -7.879e-03 -4.557e-03 -1.592e-03 / CHEB/ -2.151e-02 -7.286e-03 -4.370e-03 -1.849e-03 /

3178.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-5.5	-2.3	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-5.6	-2.4	-0.6

Chebyshev(coeffs=[[-6.12298,-0.110072,-0.068821,-0.03255],[10.5358,0.0549738,0.032759,0.0149313],[0.762221,0.0369947,0.023441,0.0105639],[0.191327,0.014332,0.00913129,0.00434113],[0.00705399,-0.00693513,-0.00415549,-0.00164442],[-0.019341,-0.00668723,-0.00407603,-0.00178978]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.43
S298 (cal/mol*K) = -7.03
G298 (kcal/mol) = 29.53

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(385); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(385)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.123e+00 -1.101e-01 -6.882e-02 -3.255e-02 / CHEB/ 1.054e+01 5.497e-02 3.276e-02 1.493e-02 / CHEB/ 7.622e-01 3.699e-02 2.344e-02 1.056e-02 / CHEB/ 1.913e-01 1.433e-02 9.131e-03 4.341e-03 / CHEB/ 7.054e-03 -6.935e-03 -4.155e-03 -1.644e-03 / CHEB/ -1.934e-02 -6.687e-03 -4.076e-03 -1.790e-03 /

3179.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-5.9	-2.7	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-6.0	-2.7	-1.0

Chebyshev(coeffs=[[-6.55348,-0.11026,-0.0689274,-0.0325963],[10.5983,0.0551058,0.0328311,0.0149655],[0.783589,0.0370335,0.0234622,0.0105683],[0.197232,0.0143422,0.00913693,0.00434258],[0.00893544,-0.00694468,-0.0041599,-0.00164441],[-0.0186735,-0.00669309,-0.00407895,-0.00179051]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.43
S298 (cal/mol*K) = -7.03
G298 (kcal/mol) = 29.53

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(386); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(386)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.553e+00 -1.103e-01 -6.893e-02 -3.260e-02 / CHEB/ 1.060e+01 5.511e-02 3.283e-02 1.497e-02 / CHEB/ 7.836e-01 3.703e-02 2.346e-02 1.057e-02 / CHEB/ 1.972e-01 1.434e-02 9.137e-03 4.343e-03 / CHEB/ 8.935e-03 -6.945e-03 -4.160e-03 -1.644e-03 / CHEB/ -1.867e-02 -6.693e-03 -4.079e-03 -1.791e-03 /

3180.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	-0.9	+0.2	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-3.0	-1.0	+0.2	+0.8

Chebyshev(coeffs=[[3.71011,-0.183396,-0.109208,-0.0493616],[2.3359,0.101394,0.0574751,0.0258412],[0.621184,0.051985,0.0310496,0.0122312],[0.136795,0.01986,0.0120166,0.00517713],[-0.000754395,-0.00975159,-0.00504676,-0.00121466],[-0.0187137,-0.00911385,-0.00521739,-0.00195935]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.40
S298 (cal/mol*K) = -37.14
G298 (kcal/mol) = -44.33

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(387); H(25), C7H11(387); C7H10(18)+H(25)(+M)=>C7H11(387)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.710e+00 -1.834e-01 -1.092e-01 -4.936e-02 / CHEB/ 2.336e+00 1.014e-01 5.748e-02 2.584e-02 / CHEB/ 6.212e-01 5.199e-02 3.105e-02 1.223e-02 / CHEB/ 1.368e-01 1.986e-02 1.202e-02 5.177e-03 / CHEB/ -7.544e-04 -9.752e-03 -5.047e-03 -1.215e-03 / CHEB/ -1.871e-02 -9.114e-03 -5.217e-03 -1.959e-03 /

3181.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.9	-7.9	-3.6	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-20.0	-8.0	-3.6	-1.4

Chebyshev(coeffs=[[-12.6531,-0.0723502,-0.0471266,-0.0233935],[16.7785,0.0309413,0.0195511,0.00923118],[0.387035,0.0270051,0.0176515,0.0087314],[0.12943,0.0114135,0.00740246,0.00364243],[0.00652933,-0.00468789,-0.00298679,-0.00140446],[-0.017106,-0.005112,-0.00322389,-0.00149979]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.86
S298 (cal/mol*K) = 3.55
G298 (kcal/mol) = 41.80

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(388); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>CH2(T)(82)+C6H9(388)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.265e+01 -7.235e-02 -4.713e-02 -2.339e-02 / CHEB/ 1.678e+01 3.094e-02 1.955e-02 9.231e-03 / CHEB/ 3.870e-01 2.701e-02 1.765e-02 8.731e-03 / CHEB/ 1.294e-01 1.141e-02 7.402e-03 3.642e-03 / CHEB/ 6.529e-03 -4.688e-03 -2.987e-03 -1.404e-03 / CHEB/ -1.711e-02 -5.112e-03 -3.224e-03 -1.500e-03 /

3182.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-5.0	-1.8	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-5.1	-1.8	-0.0

Chebyshev(coeffs=[[-5.07046,-0.11617,-0.0722049,-0.0340394],[9.82557,0.0623595,0.0369077,0.0168721],[0.988467,0.0373264,0.0236416,0.0105147],[0.228327,0.0139579,0.00892974,0.00425633],[0.0157834,-0.007452,-0.00441822,-0.00168406],[-0.0156835,-0.0068307,-0.00415219,-0.00181529]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.03
S298 (cal/mol*K) = -6.28
G298 (kcal/mol) = 24.90

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(389); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(389)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.070e+00 -1.162e-01 -7.220e-02 -3.404e-02 / CHEB/ 9.826e+00 6.236e-02 3.691e-02 1.687e-02 / CHEB/ 9.885e-01 3.733e-02 2.364e-02 1.051e-02 / CHEB/ 2.283e-01 1.396e-02 8.930e-03 4.256e-03 / CHEB/ 1.578e-02 -7.452e-03 -4.418e-03 -1.684e-03 / CHEB/ -1.568e-02 -6.831e-03 -4.152e-03 -1.815e-03 /

3183.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+1.8	+2.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+0.7	+1.8	+2.3	+2.5

Chebyshev(coeffs=[[7.03945,-0.189426,-0.11242,-0.0506566],[1.19662,0.0999104,0.0563353,0.0253379],[0.29777,0.0544728,0.0323092,0.0125473],[0.0527999,0.0215996,0.0129177,0.00551626],[-0.0212309,-0.00957163,-0.00485718,-0.00102046],[-0.0243467,-0.00943427,-0.00533353,-0.00193072]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.86
S298 (cal/mol*K) = -14.80
G298 (kcal/mol) = -35.45

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(390); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(390)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.039e+00 -1.894e-01 -1.124e-01 -5.066e-02 / CHEB/ 1.197e+00 9.991e-02 5.634e-02 2.534e-02 / CHEB/ 2.978e-01 5.447e-02 3.231e-02 1.255e-02 / CHEB/ 5.280e-02 2.160e-02 1.292e-02 5.516e-03 / CHEB/ -2.123e-02 -9.572e-03 -4.857e-03 -1.020e-03 / CHEB/ -2.435e-02 -9.434e-03 -5.334e-03 -1.931e-03 /

3184.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.9	+2.2	+2.9	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+2.1	+2.8	+3.2

Chebyshev(coeffs=[[7.23506,-0.191153,-0.113334,-0.0510247],[1.54727,0.0994352,0.0559766,0.0251811],[0.354777,0.0552034,0.0326802,0.012639],[0.0731012,0.0221492,0.0132054,0.00562609],[-0.0119243,-0.00949435,-0.00478569,-0.000953465],[-0.0203367,-0.00952843,-0.00536481,-0.0019168]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.58
S298 (cal/mol*K) = -31.19
G298 (kcal/mol) = -61.29

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(391); H(25), C7H11(391); C7H10(18)+H(25)(+M)=>C7H11(391)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.235e+00 -1.912e-01 -1.133e-01 -5.102e-02 / CHEB/ 1.547e+00 9.944e-02 5.598e-02 2.518e-02 / CHEB/ 3.548e-01 5.520e-02 3.268e-02 1.264e-02 / CHEB/ 7.310e-02 2.215e-02 1.321e-02 5.626e-03 / CHEB/ -1.192e-02 -9.494e-03 -4.786e-03 -9.535e-04 / CHEB/ -2.034e-02 -9.528e-03 -5.365e-03 -1.917e-03 /

3185.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	-0.6	+1.0	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-3.9	-0.7	+1.0	+1.9

Chebyshev(coeffs=[[3.17679,-0.171354,-0.102835,-0.0468286],[3.67276,0.0992979,0.0568534,0.025601],[0.889844,0.0463669,0.0280562,0.0113448],[0.153613,0.0177368,0.0109377,0.00477175],[-0.012702,-0.00925882,-0.00495579,-0.00137401],[-0.0229762,-0.00840654,-0.00491507,-0.00193418]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.08
S298 (cal/mol*K) = -33.24
G298 (kcal/mol) = -48.17

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(392); H(25), C7H11(392); C7H10(18)+H(25)(+M)=>C7H11(392)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.177e+00 -1.714e-01 -1.028e-01 -4.683e-02 / CHEB/ 3.673e+00 9.930e-02 5.685e-02 2.560e-02 / CHEB/ 8.898e-01 4.637e-02 2.806e-02 1.134e-02 / CHEB/ 1.536e-01 1.774e-02 1.094e-02 4.772e-03 / CHEB/ -1.270e-02 -9.259e-03 -4.956e-03 -1.374e-03 / CHEB/ -2.298e-02 -8.407e-03 -4.915e-03 -1.934e-03 /

3186.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+2.0	+2.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+1.9	+2.6	+2.9

Chebyshev(coeffs=[[7.05986,-0.190924,-0.113212,-0.0509757],[1.48033,0.0995037,0.0560274,0.0252033],[0.342859,0.0551084,0.0326322,0.0126274],[0.0691817,0.022075,0.0131666,0.00561125],[-0.0135627,-0.00950616,-0.00479607,-0.000962798],[-0.0210166,-0.00951644,-0.00536101,-0.00191893]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.18
S298 (cal/mol*K) = -30.54
G298 (kcal/mol) = -61.08

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(393); H(25), C7H11(393); C7H10(18)+H(25)(+M)=>C7H11(393)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.060e+00 -1.909e-01 -1.132e-01 -5.098e-02 / CHEB/ 1.480e+00 9.950e-02 5.603e-02 2.520e-02 / CHEB/ 3.429e-01 5.511e-02 3.263e-02 1.263e-02 / CHEB/ 6.918e-02 2.207e-02 1.317e-02 5.611e-03 / CHEB/ -1.356e-02 -9.506e-03 -4.796e-03 -9.628e-04 / CHEB/ -2.102e-02 -9.516e-03 -5.361e-03 -1.919e-03 /

3187.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	-0.8	+0.6	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-3.4	-0.8	+0.6	+1.4

Chebyshev(coeffs=[[3.45288,-0.177391,-0.106038,-0.0481015],[2.99923,0.100986,0.0575361,0.0258759],[0.773919,0.049034,0.0294864,0.011773],[0.155919,0.0185616,0.0113475,0.00492347],[-0.000414646,-0.00955718,-0.00503319,-0.00131577],[-0.0194802,-0.00872489,-0.00505335,-0.00194892]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.88
S298 (cal/mol*K) = -33.66
G298 (kcal/mol) = -45.85

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(394); H(25), C7H11(394); C7H10(18)+H(25)(+M)=>C7H11(394)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.453e+00 -1.774e-01 -1.060e-01 -4.810e-02 / CHEB/ 2.999e+00 1.010e-01 5.754e-02 2.588e-02 / CHEB/ 7.739e-01 4.903e-02 2.949e-02 1.177e-02 / CHEB/ 1.559e-01 1.856e-02 1.135e-02 4.923e-03 / CHEB/ -4.146e-04 -9.557e-03 -5.033e-03 -1.316e-03 / CHEB/ -1.948e-02 -8.725e-03 -5.053e-03 -1.949e-03 /

3188.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.6	+5.0	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.5	+4.9	+5.2

Chebyshev(coeffs=[[9.82452,-0.194881,-0.115266,-0.0517925],[1.09401,0.0988727,0.0554552,0.0249632],[0.228267,0.0572465,0.0337565,0.0129432],[0.0542065,0.0235697,0.0139679,0.0059244],[-0.00784888,-0.00931463,-0.00460858,-0.000787015],[-0.0157706,-0.00979549,-0.00545719,-0.00188774]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.18
S298 (cal/mol*K) = -30.54
G298 (kcal/mol) = -61.08

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(395); H(25), C7H11(395); C7H10(18)+H(25)(+M)=>C7H11(395)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.825e+00 -1.949e-01 -1.153e-01 -5.179e-02 / CHEB/ 1.094e+00 9.887e-02 5.546e-02 2.496e-02 / CHEB/ 2.283e-01 5.725e-02 3.376e-02 1.294e-02 / CHEB/ 5.421e-02 2.357e-02 1.397e-02 5.924e-03 / CHEB/ -7.849e-03 -9.315e-03 -4.609e-03 -7.870e-04 / CHEB/ -1.577e-02 -9.795e-03 -5.457e-03 -1.888e-03 /

3189.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.5	-7.5	-3.1	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-19.6	-7.5	-3.1	-0.9

Chebyshev(coeffs=[[-12.2598,-0.0718207,-0.0468114,-0.0232603],[16.8913,0.0306192,0.0193675,0.00915815],[0.384436,0.0268473,0.0175555,0.00869252],[0.129021,0.0113615,0.0073705,0.00362794],[0.00667825,-0.0046524,-0.00296622,-0.00139698],[-0.0169745,-0.00508407,-0.00320794,-0.00149373]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.44
S298 (cal/mol*K) = 6.59
G298 (kcal/mol) = 41.48

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(396); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(396)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.226e+01 -7.182e-02 -4.681e-02 -2.326e-02 / CHEB/ 1.689e+01 3.062e-02 1.937e-02 9.158e-03 / CHEB/ 3.844e-01 2.685e-02 1.756e-02 8.693e-03 / CHEB/ 1.290e-01 1.136e-02 7.370e-03 3.628e-03 / CHEB/ 6.678e-03 -4.652e-03 -2.966e-03 -1.397e-03 / CHEB/ -1.697e-02 -5.084e-03 -3.208e-03 -1.494e-03 /

3194.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+2.0	+3.6	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+1.7	+3.4	+4.2

Chebyshev(coeffs=[[4.00113,-0.495971,-0.164826,-0.00181468],[5.92579,0.283301,0.0607324,-0.0203478],[0.336052,0.0836297,0.0326707,-0.00302322],[-0.000705423,0.050633,0.0190456,0.00279301],[-0.0386235,0.0250803,0.0111844,0.00235045],[-0.0312275,0.00200816,0.00552819,0.0027115]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.29
S298 (cal/mol*K) = 5.41
G298 (kcal/mol) = 9.67

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(309); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(309)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.001e+00 -4.960e-01 -1.648e-01 -1.815e-03 / CHEB/ 5.926e+00 2.833e-01 6.073e-02 -2.035e-02 / CHEB/ 3.361e-01 8.363e-02 3.267e-02 -3.023e-03 / CHEB/ -7.054e-04 5.063e-02 1.905e-02 2.793e-03 / CHEB/ -3.862e-02 2.508e-02 1.118e-02 2.350e-03 / CHEB/ -3.123e-02 2.008e-03 5.528e-03 2.712e-03 /

3195.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+2.5	+3.8	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+2.2	+3.7	+4.3

Chebyshev(coeffs=[[5.51954,-0.585713,-0.156771,0.010717],[4.44474,0.359824,0.0408215,-0.0322446],[0.43711,0.0884544,0.0389162,-0.00658965],[0.00311789,0.0522022,0.019427,0.00399424],[-0.0356122,0.0243975,0.0112788,0.00307734],[-0.0325289,0.00184077,0.00632346,0.00264457]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.80
S298 (cal/mol*K) = -0.62
G298 (kcal/mol) = 4.98

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(121); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.520e+00 -5.857e-01 -1.568e-01 1.072e-02 / CHEB/ 4.445e+00 3.598e-01 4.082e-02 -3.224e-02 / CHEB/ 4.371e-01 8.845e-02 3.892e-02 -6.590e-03 / CHEB/ 3.118e-03 5.220e-02 1.943e-02 3.994e-03 / CHEB/ -3.561e-02 2.440e-02 1.128e-02 3.077e-03 / CHEB/ -3.253e-02 1.841e-03 6.323e-03 2.645e-03 /

3196.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.7	+1.3	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-0.9	+1.2	+2.1

Chebyshev(coeffs=[[0.278997,-0.401487,-0.160247,-0.0164056],[7.60623,0.207243,0.067945,-0.00430052],[0.268643,0.0777035,0.0286468,-0.00105815],[0.00486596,0.0509007,0.0189737,0.00160244],[-0.0326429,0.024515,0.0112161,0.00201064],[-0.0266646,0.00146003,0.00460463,0.00283208]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.13
S298 (cal/mol*K) = -18.91
G298 (kcal/mol) = -9.49

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(310); H(25), C7H11(310); C7H10(65)+H(25)(+M)=>C7H11(310)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.790e-01 -4.015e-01 -1.602e-01 -1.641e-02 / CHEB/ 7.606e+00 2.072e-01 6.795e-02 -4.301e-03 / CHEB/ 2.686e-01 7.770e-02 2.865e-02 -1.058e-03 / CHEB/ 4.866e-03 5.090e-02 1.897e-02 1.602e-03 / CHEB/ -3.264e-02 2.451e-02 1.122e-02 2.011e-03 / CHEB/ -2.666e-02 1.460e-03 4.605e-03 2.832e-03 /

3197.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.1	+0.6	+2.2	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+0.3	+2.0	+2.8

Chebyshev(coeffs=[[2.45009,-0.484616,-0.165171,-0.00361795],[6.11052,0.272613,0.0622414,-0.0184016],[0.31697,0.0834305,0.0319502,-0.00284367],[-0.00214726,0.0507327,0.0190243,0.00261123],[-0.0389835,0.0251191,0.0112056,0.00228548],[-0.0311909,0.00201828,0.00543915,0.00272338]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.93
S298 (cal/mol*K) = -19.64
G298 (kcal/mol) = -17.08

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(311); H(25), C7H11(311); C7H10(65)+H(25)(+M)=>C7H11(311)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.450e+00 -4.846e-01 -1.652e-01 -3.618e-03 / CHEB/ 6.111e+00 2.726e-01 6.224e-02 -1.840e-02 / CHEB/ 3.170e-01 8.343e-02 3.195e-02 -2.844e-03 / CHEB/ -2.147e-03 5.073e-02 1.902e-02 2.611e-03 / CHEB/ -3.898e-02 2.512e-02 1.121e-02 2.285e-03 / CHEB/ -3.119e-02 2.018e-03 5.439e-03 2.723e-03 /

3198.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.1	-10.2	-4.7	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-10.3	-4.7	-2.0

Chebyshev(coeffs=[[-19.9302,-0.113003,-0.0579839,-0.0153075],[24.1417,0.0536562,0.0269294,0.00620884],[-0.152222,0.0423516,0.016954,-0.000220303],[-0.0202301,0.0165857,0.00892008,0.00285577],[-0.00653684,-0.00122149,0.00289442,0.00416448],[-0.00472039,-0.0039902,-0.000425579,0.00145528]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.57
S298 (cal/mol*K) = 13.02
G298 (kcal/mol) = 75.69

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(312); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(312)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.993e+01 -1.130e-01 -5.798e-02 -1.531e-02 / CHEB/ 2.414e+01 5.366e-02 2.693e-02 6.209e-03 / CHEB/ -1.522e-01 4.235e-02 1.695e-02 -2.203e-04 / CHEB/ -2.023e-02 1.659e-02 8.920e-03 2.856e-03 / CHEB/ -6.537e-03 -1.221e-03 2.894e-03 4.164e-03 / CHEB/ -4.720e-03 -3.990e-03 -4.256e-04 1.455e-03 /

3199.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.5	-9.5	-3.9	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-26.6	-9.6	-4.0	-1.2

Chebyshev(coeffs=[[-19.3014,-0.113003,-0.0579839,-0.0153075],[24.2537,0.0536562,0.0269294,0.00620884],[-0.12748,0.0423516,0.016954,-0.000220303],[-0.0129456,0.0165857,0.00892008,0.00285577],[-0.00412494,-0.00122149,0.00289442,0.00416448],[-0.00387068,-0.0039902,-0.000425579,0.00145528]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.57
S298 (cal/mol*K) = 13.02
G298 (kcal/mol) = 75.69

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(313); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(313)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.930e+01 -1.130e-01 -5.798e-02 -1.531e-02 / CHEB/ 2.425e+01 5.366e-02 2.693e-02 6.209e-03 / CHEB/ -1.275e-01 4.235e-02 1.695e-02 -2.203e-04 / CHEB/ -1.295e-02 1.659e-02 8.920e-03 2.856e-03 / CHEB/ -4.125e-03 -1.221e-03 2.894e-03 4.164e-03 / CHEB/ -3.871e-03 -3.990e-03 -4.256e-04 1.455e-03 /

3200.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.0	-10.4	-4.7	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-28.1	-10.5	-4.7	-1.8

Chebyshev(coeffs=[[-20.6928,-0.106809,-0.0555177,-0.0153217],[25.0253,0.0510035,0.0260663,0.00649078],[-0.13206,0.040975,0.0168424,0.000252167],[-0.0113708,0.0152454,0.00826461,0.00270722],[-0.00294212,-0.00184206,0.00234281,0.00385361],[-0.00356301,-0.00397525,-0.000554239,0.00131177]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.27
S298 (cal/mol*K) = 12.29
G298 (kcal/mol) = 78.61

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(314); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(314)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.069e+01 -1.068e-01 -5.552e-02 -1.532e-02 / CHEB/ 2.503e+01 5.100e-02 2.607e-02 6.491e-03 / CHEB/ -1.321e-01 4.098e-02 1.684e-02 2.522e-04 / CHEB/ -1.137e-02 1.525e-02 8.265e-03 2.707e-03 / CHEB/ -2.942e-03 -1.842e-03 2.343e-03 3.854e-03 / CHEB/ -3.563e-03 -3.975e-03 -5.542e-04 1.312e-03 /

3201.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.2	-7.5	-2.7	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-22.3	-7.6	-2.7	-0.4

Chebyshev(coeffs=[[-15.1142,-0.139471,-0.0686073,-0.0157386],[20.8983,0.0614813,0.0291321,0.00517348],[-0.114957,0.0473692,0.0170328,-0.0020396],[-0.0138411,0.0245653,0.0125071,0.00334147],[-0.00641115,0.00289801,0.005688,0.00516219],[-0.00589718,-0.00391436,0.000238926,0.00207537]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.87
S298 (cal/mol*K) = 10.91
G298 (kcal/mol) = 65.62

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(254); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(254)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.511e+01 -1.395e-01 -6.861e-02 -1.574e-02 / CHEB/ 2.090e+01 6.148e-02 2.913e-02 5.173e-03 / CHEB/ -1.150e-01 4.737e-02 1.703e-02 -2.040e-03 / CHEB/ -1.384e-02 2.457e-02 1.251e-02 3.341e-03 / CHEB/ -6.411e-03 2.898e-03 5.688e-03 5.162e-03 / CHEB/ -5.897e-03 -3.914e-03 2.389e-04 2.075e-03 /

3202.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.4	-8.1	-3.1	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-23.5	-8.2	-3.1	-0.7

Chebyshev(coeffs=[[-16.3245,-0.132598,-0.065756,-0.0154367],[21.8003,0.0598859,0.0286648,0.00529843],[-0.126401,0.0463489,0.0171043,-0.0016348],[-0.0123316,0.0221595,0.0114704,0.00325245],[-0.00489929,0.00156999,0.0049112,0.00498709],[-0.00545638,-0.00396566,5.38302e-05,0.00192351]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.77
S298 (cal/mol*K) = 12.29
G298 (kcal/mol) = 68.11

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(315); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(315)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.632e+01 -1.326e-01 -6.576e-02 -1.544e-02 / CHEB/ 2.180e+01 5.989e-02 2.866e-02 5.298e-03 / CHEB/ -1.264e-01 4.635e-02 1.710e-02 -1.635e-03 / CHEB/ -1.233e-02 2.216e-02 1.147e-02 3.252e-03 / CHEB/ -4.899e-03 1.570e-03 4.911e-03 4.987e-03 / CHEB/ -5.456e-03 -3.966e-03 5.383e-05 1.924e-03 /

3203.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.3	-7.9	-2.9	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-23.4	-8.0	-2.9	-0.4

Chebyshev(coeffs=[[-16.2094,-0.132598,-0.065756,-0.0154367],[21.9071,0.0598859,0.0286648,0.00529843],[-0.102802,0.0463489,0.0171043,-0.0016348],[-0.00538384,0.0221595,0.0114704,0.00325245],[-0.00259888,0.00156999,0.0049112,0.00498709],[-0.00464594,-0.00396566,5.38302e-05,0.00192351]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.77
S298 (cal/mol*K) = 12.29
G298 (kcal/mol) = 68.11

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(316); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(316)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.621e+01 -1.326e-01 -6.576e-02 -1.544e-02 / CHEB/ 2.191e+01 5.989e-02 2.866e-02 5.298e-03 / CHEB/ -1.028e-01 4.635e-02 1.710e-02 -1.635e-03 / CHEB/ -5.384e-03 2.216e-02 1.147e-02 3.252e-03 / CHEB/ -2.599e-03 1.570e-03 4.911e-03 4.987e-03 / CHEB/ -4.646e-03 -3.966e-03 5.383e-05 1.924e-03 /

3204.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+3.4	+4.3	+4.6
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+3.1	+4.1	+4.6

Chebyshev(coeffs=[[7.36764,-0.662364,-0.148164,0.0186578],[2.93312,0.388225,0.0189371,-0.0355604],[0.329454,0.109447,0.037533,-0.0140746],[-0.00959693,0.0586705,0.0207609,0.00337277],[-0.0406223,0.0251751,0.0120851,0.00383442],[-0.0368227,0.00156102,0.00754366,0.00273971]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.02
S298 (cal/mol*K) = -9.31
G298 (kcal/mol) = -6.24

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(317); H(25), C7H11(317); C7H10(65)+H(25)(+M)=>C7H11(317)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.368e+00 -6.624e-01 -1.482e-01 1.866e-02 / CHEB/ 2.933e+00 3.882e-01 1.894e-02 -3.556e-02 / CHEB/ 3.295e-01 1.094e-01 3.753e-02 -1.407e-02 / CHEB/ -9.597e-03 5.867e-02 2.076e-02 3.373e-03 / CHEB/ -4.062e-02 2.518e-02 1.209e-02 3.834e-03 / CHEB/ -3.682e-02 1.561e-03 7.544e-03 2.740e-03 /

3205.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.1	-5.5	-1.5	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-5.6	-1.5	+0.4

Chebyshev(coeffs=[[-11.2252,-0.159999,-0.0786083,-0.0188195],[17.8478,0.0617744,0.0300126,0.00663411],[-0.14579,0.0500828,0.0170935,-0.00260257],[-0.0257728,0.0340482,0.0161447,0.00317966],[-0.0125798,0.00830451,0.00815111,0.00511566],[-0.0102674,-0.00359125,0.00087757,0.00249173]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.45
S298 (cal/mol*K) = 11.98
G298 (kcal/mol) = 53.89

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C6H9(318); H(25), CH2(137); C7H10(65)+H(25)(+M)=>CH2(137)+C6H9(318)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.123e+01 -1.600e-01 -7.861e-02 -1.882e-02 / CHEB/ 1.785e+01 6.177e-02 3.001e-02 6.634e-03 / CHEB/ -1.458e-01 5.008e-02 1.709e-02 -2.603e-03 / CHEB/ -2.577e-02 3.405e-02 1.614e-02 3.180e-03 / CHEB/ -1.258e-02 8.305e-03 8.151e-03 5.116e-03 / CHEB/ -1.027e-02 -3.591e-03 8.776e-04 2.492e-03 /

3206.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+5.9	+6.5	+6.5
log₁₀(k(10 bar)/[mole,m,s])	+3.2	+5.3	+6.1	+6.4

Chebyshev(coeffs=[[9.99153,-1.19362,-0.391285,-0.0374185],[2.28985,0.590899,0.0925587,-0.0361847],[0.19812,0.153381,0.0577433,-0.00601369],[-0.0286768,0.127123,0.0444671,0.00390598],[-0.0477544,0.0653663,0.0281959,0.0053171],[-0.048372,0.00428094,0.0110336,0.00480836]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.68
S298 (cal/mol*K) = -24.90
G298 (kcal/mol) = -9.26

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(319); H(25), C7H11(319); C7H10(65)+H(25)(+M)=>C7H11(319)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.992e+00 -1.194e+00 -3.913e-01 -3.742e-02 / CHEB/ 2.290e+00 5.909e-01 9.256e-02 -3.618e-02 / CHEB/ 1.981e-01 1.534e-01 5.774e-02 -6.014e-03 / CHEB/ -2.868e-02 1.271e-01 4.447e-02 3.906e-03 / CHEB/ -4.775e-02 6.537e-02 2.820e-02 5.317e-03 / CHEB/ -4.837e-02 4.281e-03 1.103e-02 4.808e-03 /

3207.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+0.5	+2.3	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-4.8	+0.3	+2.1	+3.0

Chebyshev(coeffs=[[2.12789,-0.458186,-0.164263,-0.00752684],[6.60621,0.254814,0.0656324,-0.0143016],[0.325811,0.0810124,0.0310432,-0.00190196],[0.00555365,0.050219,0.0189584,0.00242402],[-0.0353395,0.0248133,0.0111712,0.00217976],[-0.028954,0.00181455,0.00512377,0.00275258]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.39
S298 (cal/mol*K) = -20.04
G298 (kcal/mol) = -15.42

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(320); H(25), C7H11(320); C7H10(65)+H(25)(+M)=>C7H11(320)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.128e+00 -4.582e-01 -1.643e-01 -7.527e-03 / CHEB/ 6.606e+00 2.548e-01 6.563e-02 -1.430e-02 / CHEB/ 3.258e-01 8.101e-02 3.104e-02 -1.902e-03 / CHEB/ 5.554e-03 5.022e-02 1.896e-02 2.424e-03 / CHEB/ -3.534e-02 2.481e-02 1.117e-02 2.180e-03 / CHEB/ -2.895e-02 1.815e-03 5.124e-03 2.753e-03 /

3208.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.9	-14.3	-7.7	-4.4
log₁₀(k(10 bar)/[mole,m,s])	-34.0	-14.3	-7.7	-4.4

Chebyshev(coeffs=[[-26.2985,-0.0866762,-0.047089,-0.0149832],[27.8473,0.0443617,0.023953,0.00733112],[0.0306868,0.0349099,0.0157382,0.00180916],[0.0208516,0.0104227,0.00593458,0.00221476],[0.00468925,-0.00360459,0.000519437,0.00260178],[0.00256304,-0.00385103,-0.00103724,0.000699667]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 90.77
S298 (cal/mol*K) = 3.27
G298 (kcal/mol) = 89.80

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(321); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.630e+01 -8.668e-02 -4.709e-02 -1.498e-02 / CHEB/ 2.785e+01 4.436e-02 2.395e-02 7.331e-03 / CHEB/ 3.069e-02 3.491e-02 1.574e-02 1.809e-03 / CHEB/ 2.085e-02 1.042e-02 5.935e-03 2.215e-03 / CHEB/ 4.689e-03 -3.605e-03 5.194e-04 2.602e-03 / CHEB/ 2.563e-03 -3.851e-03 -1.037e-03 6.997e-04 /

3227.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-0.7	+1.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-0.9	+1.5	+2.7

Chebyshev(coeffs=[[-0.153815,-0.481973,-0.13879,0.00394228],[8.32673,0.314044,0.0462944,-0.0249923],[0.470827,0.0585798,0.0319571,0.000570474],[0.0562729,0.0401081,0.0182566,0.00424905],[-0.0204941,0.027207,0.0106488,0.00123732],[-0.0233602,0.00372536,0.00442046,0.00144221]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.71
S298 (cal/mol*K) = 18.86
G298 (kcal/mol) = 11.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(397); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(397)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.538e-01 -4.820e-01 -1.388e-01 3.942e-03 / CHEB/ 8.327e+00 3.140e-01 4.629e-02 -2.499e-02 / CHEB/ 4.708e-01 5.858e-02 3.196e-02 5.705e-04 / CHEB/ 5.627e-02 4.011e-02 1.826e-02 4.249e-03 / CHEB/ -2.049e-02 2.721e-02 1.065e-02 1.237e-03 / CHEB/ -2.336e-02 3.725e-03 4.420e-03 1.442e-03 /

3228.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-0.9	+1.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-1.1	+1.3	+2.6

Chebyshev(coeffs=[[-0.361777,-0.471878,-0.139408,0.00240486],[8.44337,0.303313,0.0480634,-0.0231378],[0.461308,0.0595632,0.0310734,0.000464675],[0.0555166,0.0405115,0.018235,0.00406737],[-0.0203226,0.0269838,0.0107332,0.0012522],[-0.0231766,0.00364995,0.00437714,0.0014745]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.07
S298 (cal/mol*K) = 16.28
G298 (kcal/mol) = 13.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(21); H(25), H(25); C7H10(1)+H(25)(+M)=>C7H10(21)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.618e-01 -4.719e-01 -1.394e-01 2.405e-03 / CHEB/ 8.443e+00 3.033e-01 4.806e-02 -2.314e-02 / CHEB/ 4.613e-01 5.956e-02 3.107e-02 4.647e-04 / CHEB/ 5.552e-02 4.051e-02 1.823e-02 4.067e-03 / CHEB/ -2.032e-02 2.698e-02 1.073e-02 1.252e-03 / CHEB/ -2.318e-02 3.650e-03 4.377e-03 1.475e-03 /

3229.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-2.5	+0.0	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-2.7	-0.1	+1.2

Chebyshev(coeffs=[[-2.98079,-0.363842,-0.136167,-0.0142594],[9.91375,0.188769,0.0528582,-0.00287169],[0.300622,0.0654784,0.0244572,-0.00107716],[0.028855,0.0458933,0.0184503,0.00200003],[-0.0279,0.0255406,0.011322,0.00143649],[-0.0243196,0.00292403,0.00394881,0.00179478]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.06
S298 (cal/mol*K) = -2.45
G298 (kcal/mol) = -14.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(398); H(25), C7H11(398); C7H10(1)+H(25)(+M)=>C7H11(398)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.981e+00 -3.638e-01 -1.362e-01 -1.426e-02 / CHEB/ 9.914e+00 1.888e-01 5.286e-02 -2.872e-03 / CHEB/ 3.006e-01 6.548e-02 2.446e-02 -1.077e-03 / CHEB/ 2.886e-02 4.589e-02 1.845e-02 2.000e-03 / CHEB/ -2.790e-02 2.554e-02 1.132e-02 1.436e-03 / CHEB/ -2.432e-02 2.924e-03 3.949e-03 1.795e-03 /

3230.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.6	+1.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-0.8	+1.5	+2.7

Chebyshev(coeffs=[[0.540572,-0.639937,-0.161011,-0.00691405],[7.54539,0.560538,0.0784627,-0.0188601],[0.616787,-0.0109293,0.0258109,0.00239191],[0.0477454,0.0154193,0.0173239,0.00657643],[-0.0202319,0.0246787,0.00311722,0.00055639],[-0.01822,0.00545724,0.0035834,-2.60071e-06]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.76
S298 (cal/mol*K) = -3.18
G298 (kcal/mol) = -18.81

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(399); H(25), C7H11(399); C7H10(1)+H(25)(+M)=>C7H11(399)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.406e-01 -6.399e-01 -1.610e-01 -6.914e-03 / CHEB/ 7.545e+00 5.605e-01 7.846e-02 -1.886e-02 / CHEB/ 6.168e-01 -1.093e-02 2.581e-02 2.392e-03 / CHEB/ 4.775e-02 1.542e-02 1.732e-02 6.576e-03 / CHEB/ -2.023e-02 2.468e-02 3.117e-03 5.564e-04 / CHEB/ -1.822e-02 5.457e-03 3.583e-03 -2.601e-06 /

3231.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+0.2	+1.6	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-3.7	-0.1	+1.4	+2.1

Chebyshev(coeffs=[[3.62192,-1.07848,0.0380323,0.0235833],[3.95584,0.955503,-0.22533,-0.0303377],[0.513416,-0.00778862,0.0896849,-0.0215562],[0.0854532,0.00715499,0.0446577,0.00453991],[-0.024283,0.0360604,0.00478512,0.00600314],[-0.0386955,0.0158121,-0.000231077,0.00167837]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.16
S298 (cal/mol*K) = -4.56
G298 (kcal/mol) = -16.80

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(400); H(25), C7H11(400); C7H10(1)+H(25)(+M)=>C7H11(400)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.622e+00 -1.078e+00 3.803e-02 2.358e-02 / CHEB/ 3.956e+00 9.555e-01 -2.253e-01 -3.034e-02 / CHEB/ 5.134e-01 -7.789e-03 8.968e-02 -2.156e-02 / CHEB/ 8.545e-02 7.155e-03 4.466e-02 4.540e-03 / CHEB/ -2.428e-02 3.606e-02 4.785e-03 6.003e-03 / CHEB/ -3.870e-02 1.581e-02 -2.311e-04 1.678e-03 /

3232.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.7	-12.2	-6.1	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-30.8	-12.2	-6.1	-3.0

Chebyshev(coeffs=[[-23.2825,-0.072579,-0.0376418,-0.0103553],[26.3336,0.022146,0.0107572,0.00219548],[-0.0754748,0.0339742,0.0149517,0.00131521],[0.00182555,0.0167212,0.00866152,0.00239711],[0.00604254,0.000860132,0.00263454,0.00291266],[0.00224241,-0.00373098,-0.000567738,0.00121459]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.94
S298 (cal/mol*K) = 29.48
G298 (kcal/mol) = 75.15

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(48); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.328e+01 -7.258e-02 -3.764e-02 -1.036e-02 / CHEB/ 2.633e+01 2.215e-02 1.076e-02 2.195e-03 / CHEB/ -7.547e-02 3.397e-02 1.495e-02 1.315e-03 / CHEB/ 1.826e-03 1.672e-02 8.662e-03 2.397e-03 / CHEB/ 6.043e-03 8.601e-04 2.635e-03 2.913e-03 / CHEB/ 2.242e-03 -3.731e-03 -5.677e-04 1.215e-03 /

3233.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.1	-11.5	-5.3	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-30.2	-11.6	-5.3	-2.2

Chebyshev(coeffs=[[-22.6537,-0.072579,-0.0376418,-0.0103553],[26.4457,0.022146,0.0107572,0.00219548],[-0.0507327,0.0339742,0.0149517,0.00131521],[0.00911004,0.0167212,0.00866152,0.00239711],[0.00845443,0.000860132,0.00263454,0.00291266],[0.00309212,-0.00373098,-0.000567738,0.00121459]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.94
S298 (cal/mol*K) = 29.48
G298 (kcal/mol) = 75.15

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(49); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.265e+01 -7.258e-02 -3.764e-02 -1.036e-02 / CHEB/ 2.645e+01 2.215e-02 1.076e-02 2.195e-03 / CHEB/ -5.073e-02 3.397e-02 1.495e-02 1.315e-03 / CHEB/ 9.110e-03 1.672e-02 8.662e-03 2.397e-03 / CHEB/ 8.454e-03 8.601e-04 2.635e-03 2.913e-03 / CHEB/ 3.092e-03 -3.731e-03 -5.677e-04 1.215e-03 /

3234.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.3	-10.8	-5.0	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-28.4	-10.9	-5.0	-2.1

Chebyshev(coeffs=[[-20.9664,-0.0804971,-0.0407321,-0.0103829],[24.9237,0.0226535,0.0103647,0.00158213],[-0.0389832,0.0365482,0.0154524,0.000707609],[0.00864882,0.0195647,0.00993242,0.00255991],[0.00658407,0.00232713,0.00366055,0.00337574],[0.00233334,-0.00364794,-0.000268657,0.00150508]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.24
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 70.67

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(50); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.097e+01 -8.050e-02 -4.073e-02 -1.038e-02 / CHEB/ 2.492e+01 2.265e-02 1.036e-02 1.582e-03 / CHEB/ -3.898e-02 3.655e-02 1.545e-02 7.076e-04 / CHEB/ 8.649e-03 1.956e-02 9.932e-03 2.560e-03 / CHEB/ 6.584e-03 2.327e-03 3.661e-03 3.376e-03 / CHEB/ 2.333e-03 -3.648e-03 -2.687e-04 1.505e-03 /

3235.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.3	-10.8	-5.0	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-28.4	-10.9	-5.0	-2.1

H298 (kcal/mol) = 79.24
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 70.67

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(51); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.097e+01 -8.050e-02 -4.073e-02 -1.038e-02 / CHEB/ 2.492e+01 2.265e-02 1.036e-02 1.582e-03 / CHEB/ -3.898e-02 3.655e-02 1.545e-02 7.076e-04 / CHEB/ 8.649e-03 1.956e-02 9.932e-03 2.560e-03 / CHEB/ 6.584e-03 2.327e-03 3.661e-03 3.376e-03 / CHEB/ 2.333e-03 -3.648e-03 -2.687e-04 1.505e-03 /

3236.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-11.1	-5.2	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-29.1	-11.2	-5.2	-2.2

Chebyshev(coeffs=[[-21.6318,-0.0778868,-0.0397235,-0.0103708],[25.4223,0.0224992,0.0105079,0.00178075],[-0.0448045,0.0357521,0.0153105,0.000905739],[0.00909404,0.0186177,0.00951148,0.00250861],[0.00760794,0.001812,0.00331509,0.00323291],[0.00256635,-0.00368815,-0.000370505,0.00141328]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.84
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 72.27

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(52); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.163e+01 -7.789e-02 -3.972e-02 -1.037e-02 / CHEB/ 2.542e+01 2.250e-02 1.051e-02 1.781e-03 / CHEB/ -4.480e-02 3.575e-02 1.531e-02 9.057e-04 / CHEB/ 9.094e-03 1.862e-02 9.511e-03 2.509e-03 / CHEB/ 7.608e-03 1.812e-03 3.315e-03 3.233e-03 / CHEB/ 2.566e-03 -3.688e-03 -3.705e-04 1.413e-03 /

3237.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.7	-10.9	-4.9	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-28.8	-10.9	-4.9	-1.9

Chebyshev(coeffs=[[-21.3108,-0.0786829,-0.0400326,-0.0103743],[25.3765,0.0225317,0.0104589,0.00171879],[-0.0207443,0.0360048,0.0153574,0.000844418],[0.0159662,0.0189147,0.00964302,0.00252426],[0.00977143,0.00196811,0.00342131,0.00327826],[0.00327862,-0.00367807,-0.000339401,0.00144246]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.34
S298 (cal/mol*K) = 27.37
G298 (kcal/mol) = 72.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(401); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(401)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.131e+01 -7.868e-02 -4.003e-02 -1.037e-02 / CHEB/ 2.538e+01 2.253e-02 1.046e-02 1.719e-03 / CHEB/ -2.074e-02 3.600e-02 1.536e-02 8.444e-04 / CHEB/ 1.597e-02 1.891e-02 9.643e-03 2.524e-03 / CHEB/ 9.771e-03 1.968e-03 3.421e-03 3.278e-03 / CHEB/ 3.279e-03 -3.678e-03 -3.394e-04 1.442e-03 /

3238.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+1.2	+1.6	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+1.0	+2.0	+2.4

Chebyshev(coeffs=[[4.68249,-1.20487,-0.347599,0.0683111],[3.02461,2.09546,-0.0317749,-0.115515],[-0.123706,0.469331,0.0635472,-0.0216966],[-0.10745,0.100932,0.0386616,0.0142368],[-0.0118139,0.0224568,0.018304,0.00303137],[-0.0156756,0.0107666,0.0114737,-0.00490675]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.43
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = -19.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(402); H(25), C7H11(402); C7H10(1)+H(25)(+M)=>C7H11(402)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.682e+00 -1.205e+00 -3.476e-01 6.831e-02 / CHEB/ 3.025e+00 2.095e+00 -3.177e-02 -1.155e-01 / CHEB/ -1.237e-01 4.693e-01 6.355e-02 -2.170e-02 / CHEB/ -1.074e-01 1.009e-01 3.866e-02 1.424e-02 / CHEB/ -1.181e-02 2.246e-02 1.830e-02 3.031e-03 / CHEB/ -1.568e-02 1.077e-02 1.147e-02 -4.907e-03 /

3239.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.8	-15.9	-8.8	-5.2
log₁₀(k(10 bar)/[mole,m,s])	-36.8	-15.9	-8.8	-5.2

Chebyshev(coeffs=[[-29.0077,-0.0578924,-0.0314906,-0.0100398],[29.614,0.021279,0.0113093,0.00329459],[0.0725885,0.0283481,0.013535,0.00237378],[0.0476062,0.011666,0.00633509,0.00203768],[0.0232232,-0.00138099,0.000845653,0.00188131],[0.00950169,-0.00377695,-0.00111463,0.000587709]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.64
S298 (cal/mol*K) = 19.73
G298 (kcal/mol) = 87.76

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(403); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(403)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.901e+01 -5.789e-02 -3.149e-02 -1.004e-02 / CHEB/ 2.961e+01 2.128e-02 1.131e-02 3.295e-03 / CHEB/ 7.259e-02 2.835e-02 1.353e-02 2.374e-03 / CHEB/ 4.761e-02 1.167e-02 6.335e-03 2.038e-03 / CHEB/ 2.322e-02 -1.381e-03 8.457e-04 1.881e-03 / CHEB/ 9.502e-03 -3.777e-03 -1.115e-03 5.877e-04 /

3261.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+2.5	+4.0	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+1.8	+3.7	+4.0

Chebyshev(coeffs=[[1.778,-2.27683,-0.353352,0.00820654],[8.90866,1.70245,0.0704094,-0.0673629],[0.0374836,0.468213,0.121582,0.000663155],[-0.349787,-0.0242882,0.0450488,0.00992158],[-0.247712,-0.0878746,-0.00057811,0.00462912],[-0.112267,-0.0485633,-0.00954776,0.00128167]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.06
S298 (cal/mol*K) = 30.96
G298 (kcal/mol) = 14.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(404); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C5H7(404)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.778e+00 -2.277e+00 -3.534e-01 8.207e-03 / CHEB/ 8.909e+00 1.702e+00 7.041e-02 -6.736e-02 / CHEB/ 3.748e-02 4.682e-01 1.216e-01 6.632e-04 / CHEB/ -3.498e-01 -2.429e-02 4.505e-02 9.922e-03 / CHEB/ -2.477e-01 -8.787e-02 -5.781e-04 4.629e-03 / CHEB/ -1.123e-01 -4.856e-02 -9.548e-03 1.282e-03 /

3262.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+1.6	+3.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-6.6	+0.6	+2.6	+2.8

Chebyshev(coeffs=[[2.19456,-2.70763,-0.249156,0.00648544],[6.93938,1.83709,-0.0872729,-0.0502779],[0.471622,0.592587,0.107779,-0.0160303],[-0.335895,0.0172084,0.0586409,0.0103392],[-0.254159,-0.0849233,0.00564863,0.00547583],[-0.115717,-0.0543293,-0.00622677,-0.000714893]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.55
S298 (cal/mol*K) = 8.04
G298 (kcal/mol) = 7.15

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(405); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(405)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.195e+00 -2.708e+00 -2.492e-01 6.485e-03 / CHEB/ 6.939e+00 1.837e+00 -8.727e-02 -5.028e-02 / CHEB/ 4.716e-01 5.926e-01 1.078e-01 -1.603e-02 / CHEB/ -3.359e-01 1.721e-02 5.864e-02 1.034e-02 / CHEB/ -2.542e-01 -8.492e-02 5.649e-03 5.476e-03 / CHEB/ -1.157e-01 -5.433e-02 -6.227e-03 -7.149e-04 /

3263.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-3.5	-0.9	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-4.0	-1.1	-0.2

Chebyshev(coeffs=[[-6.82931,-1.7143,-0.429242,-0.0148178],[13.1916,1.36398,0.217864,-0.048014],[0.00989777,0.335256,0.121253,0.0103388],[-0.27326,-0.0429135,0.0251717,0.0125495],[-0.201773,-0.0761427,-0.0112519,0.00527396],[-0.0938796,-0.0393769,-0.0130601,0.000427993]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.85
S298 (cal/mol*K) = 14.92
G298 (kcal/mol) = 35.41

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(406); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(406)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.829e+00 -1.714e+00 -4.292e-01 -1.482e-02 / CHEB/ 1.319e+01 1.364e+00 2.179e-01 -4.801e-02 / CHEB/ 9.898e-03 3.353e-01 1.213e-01 1.034e-02 / CHEB/ -2.733e-01 -4.291e-02 2.517e-02 1.255e-02 / CHEB/ -2.018e-01 -7.614e-02 -1.125e-02 5.274e-03 / CHEB/ -9.388e-02 -3.938e-02 -1.306e-02 4.280e-04 /

3264.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-2.6	-0.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-3.1	-0.4	+0.4

Chebyshev(coeffs=[[-5.15034,-1.90582,-0.411587,-0.00569877],[12.0454,1.48981,0.175399,-0.0562121],[0.0807712,0.378575,0.123383,0.0061892],[-0.276018,-0.039233,0.0321959,0.0116967],[-0.209882,-0.0812059,-0.0077103,0.00572476],[-0.0978346,-0.0426676,-0.0121042,0.000970004]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.15
S298 (cal/mol*K) = 14.92
G298 (kcal/mol) = 30.71

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(407); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(407)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.150e+00 -1.906e+00 -4.116e-01 -5.699e-03 / CHEB/ 1.205e+01 1.490e+00 1.754e-01 -5.621e-02 / CHEB/ 8.077e-02 3.786e-01 1.234e-01 6.189e-03 / CHEB/ -2.760e-01 -3.923e-02 3.220e-02 1.170e-02 / CHEB/ -2.099e-01 -8.121e-02 -7.710e-03 5.725e-03 / CHEB/ -9.783e-02 -4.267e-02 -1.210e-02 9.700e-04 /

3265.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-2.0	+0.6	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-2.5	+0.4	+1.2

Chebyshev(coeffs=[[-4.91926,-1.82304,-0.420372,-0.00936951],[12.6319,1.43647,0.194843,-0.0530212],[0.0702524,0.359591,0.122736,0.00787302],[-0.268472,-0.0410446,0.0291647,0.0121414],[-0.204318,-0.0790755,-0.00928681,0.00561417],[-0.0953803,-0.0413168,-0.0125382,0.000750375]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.35
S298 (cal/mol*K) = 14.50
G298 (kcal/mol) = 33.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(408); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(408)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.919e+00 -1.823e+00 -4.204e-01 -9.370e-03 / CHEB/ 1.263e+01 1.436e+00 1.948e-01 -5.302e-02 / CHEB/ 7.025e-02 3.596e-01 1.227e-01 7.873e-03 / CHEB/ -2.685e-01 -4.104e-02 2.916e-02 1.214e-02 / CHEB/ -2.043e-01 -7.908e-02 -9.287e-03 5.614e-03 / CHEB/ -9.538e-02 -4.132e-02 -1.254e-02 7.504e-04 /

3266.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+3.4	+4.4	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+2.3	+3.8	+3.8

Chebyshev(coeffs=[[5.21377,-2.91227,-0.203373,-0.000473855],[5.0277,1.76222,-0.145569,-0.0310602],[0.469171,0.674372,0.0754258,-0.023862],[-0.37494,0.0634574,0.0644067,0.00657061],[-0.276125,-0.0760255,0.0110274,0.00834232],[-0.127456,-0.0554726,-0.00560894,-0.000372957]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.86
S298 (cal/mol*K) = -5.35
G298 (kcal/mol) = -9.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(409); H(25), C7H10(409); C7H9(5)+H(25)(+M)=>C7H10(409)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.214e+00 -2.912e+00 -2.034e-01 -4.739e-04 / CHEB/ 5.028e+00 1.762e+00 -1.456e-01 -3.106e-02 / CHEB/ 4.692e-01 6.744e-01 7.543e-02 -2.386e-02 / CHEB/ -3.749e-01 6.346e-02 6.441e-02 6.571e-03 / CHEB/ -2.761e-01 -7.603e-02 1.103e-02 8.342e-03 / CHEB/ -1.275e-01 -5.547e-02 -5.609e-03 -3.730e-04 /

3267.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-2.5	-0.7	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-3.3	-1.1	-0.7

Chebyshev(coeffs=[[-2.51972,-2.53598,-0.291636,0.0107016],[8.10468,1.82167,-0.0236856,-0.0631786],[0.422716,0.535069,0.118756,-0.00734872],[-0.287715,-0.00743656,0.0532844,0.0108],[-0.242682,-0.0889689,0.00295059,0.00416428],[-0.109819,-0.0523568,-0.00741907,0.000197795]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.34
S298 (cal/mol*K) = -7.40
G298 (kcal/mol) = 8.55

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(410); H(25), C7H10(410); C7H9(5)+H(25)(+M)=>C7H10(410)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.520e+00 -2.536e+00 -2.916e-01 1.070e-02 / CHEB/ 8.105e+00 1.822e+00 -2.369e-02 -6.318e-02 / CHEB/ 4.227e-01 5.351e-01 1.188e-01 -7.349e-03 / CHEB/ -2.877e-01 -7.437e-03 5.328e-02 1.080e-02 / CHEB/ -2.427e-01 -8.897e-02 2.951e-03 4.164e-03 / CHEB/ -1.098e-01 -5.236e-02 -7.419e-03 1.978e-04 /

3268.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-1.4	+0.1	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-2.2	-0.2	+0.0

Chebyshev(coeffs=[[-1.07004,-2.61709,-0.273143,0.00947721],[7.47058,1.82987,-0.0530494,-0.0582943],[0.390618,0.561222,0.113937,-0.0112542],[-0.331865,0.00479742,0.0555385,0.0106958],[-0.251328,-0.0867778,0.00436311,0.00456023],[-0.113864,-0.0534099,-0.0067529,-0.000259012]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.69
S298 (cal/mol*K) = -6.38
G298 (kcal/mol) = 5.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(411); H(25), C7H10(411); C7H9(5)+H(25)(+M)=>C7H10(411)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.070e+00 -2.617e+00 -2.731e-01 9.477e-03 / CHEB/ 7.471e+00 1.830e+00 -5.305e-02 -5.829e-02 / CHEB/ 3.906e-01 5.612e-01 1.139e-01 -1.125e-02 / CHEB/ -3.319e-01 4.797e-03 5.554e-02 1.070e-02 / CHEB/ -2.513e-01 -8.678e-02 4.363e-03 4.560e-03 / CHEB/ -1.139e-01 -5.341e-02 -6.753e-03 -2.590e-04 /

3269.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	+0.4	+2.4	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-0.3	+2.1	+2.7

Chebyshev(coeffs=[[-0.518174,-2.32724,-0.338037,0.00938358],[9.50144,1.75043,0.0513438,-0.0678301],[0.332038,0.476252,0.124238,0.000166699],[-0.277602,-0.0267539,0.0469601,0.0103352],[-0.233547,-0.0893656,-0.000479703,0.00439666],[-0.103289,-0.0492143,-0.00937429,0.00116679]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.50
S298 (cal/mol*K) = 4.41
G298 (kcal/mol) = 19.19

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(412); H(25), C7H10(412); C7H9(5)+H(25)(+M)=>C7H10(412)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.182e-01 -2.327e+00 -3.380e-01 9.384e-03 / CHEB/ 9.501e+00 1.750e+00 5.134e-02 -6.783e-02 / CHEB/ 3.320e-01 4.763e-01 1.242e-01 1.667e-04 / CHEB/ -2.776e-01 -2.675e-02 4.696e-02 1.034e-02 / CHEB/ -2.335e-01 -8.937e-02 -4.797e-04 4.397e-03 / CHEB/ -1.033e-01 -4.921e-02 -9.374e-03 1.167e-03 /

3270.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+4.7	+6.5	+6.8
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+3.9	+6.2	+6.6

Chebyshev(coeffs=[[4.31554,-2.48228,-0.307883,0.0115582],[8.60854,1.79228,-0.00120864,-0.0662293],[0.363228,0.521685,0.118229,-0.00488208],[-0.301531,-0.00920439,0.0513645,0.0103504],[-0.238227,-0.0882708,0.00264832,0.00402676],[-0.1089,-0.0516509,-0.00781257,0.000535764]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 7.64
G298 (kcal/mol) = -3.93

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(413); H(25), C7H10(413); C7H9(5)+H(25)(+M)=>C7H10(413)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.316e+00 -2.482e+00 -3.079e-01 1.156e-02 / CHEB/ 8.609e+00 1.792e+00 -1.209e-03 -6.623e-02 / CHEB/ 3.632e-01 5.217e-01 1.182e-01 -4.882e-03 / CHEB/ -3.015e-01 -9.204e-03 5.136e-02 1.035e-02 / CHEB/ -2.382e-01 -8.827e-02 2.648e-03 4.027e-03 / CHEB/ -1.089e-01 -5.165e-02 -7.813e-03 5.358e-04 /

3271.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	+0.1	+1.6	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-0.7	+1.2	+1.5

Chebyshev(coeffs=[[0.497411,-2.63859,-0.267421,0.00885033],[7.36697,1.83322,-0.0613495,-0.0565348],[0.414086,0.568245,0.112807,-0.0123917],[-0.331507,0.00746613,0.0562511,0.0106726],[-0.251598,-0.0864032,0.00464251,0.00473895],[-0.114103,-0.0536507,-0.00660981,-0.000382463]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.62
S298 (cal/mol*K) = -11.17
G298 (kcal/mol) = 6.95

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(414); H(25), C7H10(414); C7H9(5)+H(25)(+M)=>C7H10(414)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.974e-01 -2.639e+00 -2.674e-01 8.850e-03 / CHEB/ 7.367e+00 1.833e+00 -6.135e-02 -5.653e-02 / CHEB/ 4.141e-01 5.682e-01 1.128e-01 -1.239e-02 / CHEB/ -3.315e-01 7.466e-03 5.625e-02 1.067e-02 / CHEB/ -2.516e-01 -8.640e-02 4.643e-03 4.739e-03 / CHEB/ -1.141e-01 -5.365e-02 -6.610e-03 -3.825e-04 /

3272.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+1.2	+2.1	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-5.7	+0.2	+1.6	+1.5

Chebyshev(coeffs=[[3.01177,-2.86801,-0.21159,0.000720465],[5.03634,1.79071,-0.136225,-0.0348465],[0.3942,0.657466,0.084568,-0.0227717],[-0.395706,0.0507007,0.0637585,0.00771896],[-0.279396,-0.0788771,0.00945802,0.0077361],[-0.127633,-0.055344,-0.00574032,-0.000670118]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.61
S298 (cal/mol*K) = -18.28
G298 (kcal/mol) = 3.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(415); H(25), C7H10(415); C7H9(5)+H(25)(+M)=>C7H10(415)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.012e+00 -2.868e+00 -2.116e-01 7.205e-04 / CHEB/ 5.036e+00 1.791e+00 -1.362e-01 -3.485e-02 / CHEB/ 3.942e-01 6.575e-01 8.457e-02 -2.277e-02 / CHEB/ -3.957e-01 5.070e-02 6.376e-02 7.719e-03 / CHEB/ -2.794e-01 -7.888e-02 9.458e-03 7.736e-03 / CHEB/ -1.276e-01 -5.534e-02 -5.740e-03 -6.701e-04 /

3273.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.4	-6.0	-2.2	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-6.2	-2.3	-0.2

Chebyshev(coeffs=[[-9.36707,-0.7046,-0.226768,-0.00884128],[14.5158,0.501329,0.0864095,-0.0457256],[0.511648,0.153042,0.0709453,0.00628874],[0.111904,-0.00933105,0.0248768,0.0178484],[0.0128398,-0.0139453,0.00100919,0.00856636],[0.00512915,-0.00498241,-0.00404119,0.000896821]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.74
S298 (cal/mol*K) = -36.88
G298 (kcal/mol) = 4.25

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(206); C5H6(62), C7H10(206); C2H4(115)+C5H6(62)(+M)=>C7H10(206)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.367e+00 -7.046e-01 -2.268e-01 -8.841e-03 / CHEB/ 1.452e+01 5.013e-01 8.641e-02 -4.573e-02 / CHEB/ 5.116e-01 1.530e-01 7.095e-02 6.289e-03 / CHEB/ 1.119e-01 -9.331e-03 2.488e-02 1.785e-02 / CHEB/ 1.284e-02 -1.395e-02 1.009e-03 8.566e-03 / CHEB/ 5.129e-03 -4.982e-03 -4.041e-03 8.968e-04 /

3274.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-3.3	-0.6	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-3.7	-0.7	+0.8

Chebyshev(coeffs=[[-3.23703,-0.89348,-0.136241,0.000450102],[9.13094,0.571257,-0.0574874,-0.0427235],[0.747764,0.223208,0.0692942,-0.0130066],[0.110925,0.0168393,0.0504617,0.00818459],[0.00258855,-0.0201639,0.014988,0.013027],[-0.00156325,-0.0124942,-0.00343654,0.00599923]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.34
S298 (cal/mol*K) = -40.31
G298 (kcal/mol) = 2.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(207); C5H6(62), C7H10(207); C2H4(115)+C5H6(62)(+M)=>C7H10(207)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.237e+00 -8.935e-01 -1.362e-01 4.501e-04 / CHEB/ 9.131e+00 5.713e-01 -5.749e-02 -4.272e-02 / CHEB/ 7.478e-01 2.232e-01 6.929e-02 -1.301e-02 / CHEB/ 1.109e-01 1.684e-02 5.046e-02 8.185e-03 / CHEB/ 2.589e-03 -2.016e-02 1.499e-02 1.303e-02 / CHEB/ -1.563e-03 -1.249e-02 -3.437e-03 5.999e-03 /

3275.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-4.6	-1.6	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-5.0	-1.7	-0.0

Chebyshev(coeffs=[[-5.8959,-0.841341,-0.179272,0.00383892],[11.1243,0.567263,0.00151069,-0.0535844],[0.633103,0.191209,0.0727216,-0.00577878],[0.108655,0.00426975,0.0412302,0.0135007],[-0.0109951,-0.0173307,0.00850411,0.0120769],[-0.0105643,-0.00896206,-0.00418023,0.00397147]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.74
S298 (cal/mol*K) = -36.88
G298 (kcal/mol) = 4.25

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(208); C5H6(62), C7H10(208); C2H4(115)+C5H6(62)(+M)=>C7H10(208)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.896e+00 -8.413e-01 -1.793e-01 3.839e-03 / CHEB/ 1.112e+01 5.673e-01 1.511e-03 -5.358e-02 / CHEB/ 6.331e-01 1.912e-01 7.272e-02 -5.779e-03 / CHEB/ 1.087e-01 4.270e-03 4.123e-02 1.350e-02 / CHEB/ -1.100e-02 -1.733e-02 8.504e-03 1.208e-02 / CHEB/ -1.056e-02 -8.962e-03 -4.180e-03 3.971e-03 /

3276.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-5.5	-2.4	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-5.8	-2.5	-0.8

Chebyshev(coeffs=[[-6.82566,-0.836944,-0.179014,0.00370013],[11.22,0.571296,0.0038148,-0.0534771],[0.640323,0.190741,0.0742178,-0.00515587],[0.115506,0.00270186,0.0410404,0.0140824],[0.0102707,-0.0184639,0.0079419,0.012218],[-0.00220284,-0.00922644,-0.00464315,0.00382913]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.34
S298 (cal/mol*K) = -40.31
G298 (kcal/mol) = 2.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(209); C5H6(62), C7H10(209); C2H4(115)+C5H6(62)(+M)=>C7H10(209)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.826e+00 -8.369e-01 -1.790e-01 3.700e-03 / CHEB/ 1.122e+01 5.713e-01 3.815e-03 -5.348e-02 / CHEB/ 6.403e-01 1.907e-01 7.422e-02 -5.156e-03 / CHEB/ 1.155e-01 2.702e-03 4.104e-02 1.408e-02 / CHEB/ 1.027e-02 -1.846e-02 7.942e-03 1.222e-02 / CHEB/ -2.203e-03 -9.226e-03 -4.643e-03 3.829e-03 /

3277.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-6.0	-3.1	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-6.3	-3.2	-1.7

Chebyshev(coeffs=[[-6.48244,-0.873961,-0.155888,0.00281138],[10.0198,0.576586,-0.0309389,-0.0486312],[0.677527,0.20756,0.0717615,-0.00990306],[0.108539,0.0102608,0.0465374,0.0109002],[0.00320578,-0.0192406,0.0117823,0.012842],[-0.00348135,-0.0110295,-0.00403002,0.00507955]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.54
S298 (cal/mol*K) = -38.53
G298 (kcal/mol) = 21.02

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(210); C5H6(62), C7H10(210); C2H4(115)+C5H6(62)(+M)=>C7H10(210)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.482e+00 -8.740e-01 -1.559e-01 2.811e-03 / CHEB/ 1.002e+01 5.766e-01 -3.094e-02 -4.863e-02 / CHEB/ 6.775e-01 2.076e-01 7.176e-02 -9.903e-03 / CHEB/ 1.085e-01 1.026e-02 4.654e-02 1.090e-02 / CHEB/ 3.206e-03 -1.924e-02 1.178e-02 1.284e-02 / CHEB/ -3.481e-03 -1.103e-02 -4.030e-03 5.080e-03 /

3278.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-6.0	-3.1	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-6.3	-3.2	-1.7

H298 (kcal/mol) = 9.13
S298 (cal/mol*K) = -35.13
G298 (kcal/mol) = 19.60

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(211); C5H6(62), C7H10(211); C2H4(115)+C5H6(62)(+M)=>C7H10(211)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.482e+00 -8.740e-01 -1.559e-01 2.811e-03 / CHEB/ 1.002e+01 5.766e-01 -3.094e-02 -4.863e-02 / CHEB/ 6.775e-01 2.076e-01 7.176e-02 -9.903e-03 / CHEB/ 1.085e-01 1.026e-02 4.654e-02 1.090e-02 / CHEB/ 3.206e-03 -1.924e-02 1.178e-02 1.284e-02 / CHEB/ -3.481e-03 -1.103e-02 -4.030e-03 5.080e-03 /

3279.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-5.8	-1.6	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-18.4	-6.0	-1.7	+0.5

Chebyshev(coeffs=[[-10.9469,-0.582315,-0.23708,-0.0297674],[17.1095,0.416977,0.12343,-0.0224888],[0.28457,0.126271,0.0630761,0.0125956],[0.0570052,-0.0129676,0.0139455,0.0165174],[-0.0017319,-0.00894983,-0.00091451,0.00497517],[-0.0118338,-0.00197893,-0.00262039,-0.000573451]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.95
S298 (cal/mol*K) = -0.82
G298 (kcal/mol) = 51.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(81); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>CH2(137)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.095e+01 -5.823e-01 -2.371e-01 -2.977e-02 / CHEB/ 1.711e+01 4.170e-01 1.234e-01 -2.249e-02 / CHEB/ 2.846e-01 1.263e-01 6.308e-02 1.260e-02 / CHEB/ 5.701e-02 -1.297e-02 1.395e-02 1.652e-02 / CHEB/ -1.732e-03 -8.950e-03 -9.145e-04 4.975e-03 / CHEB/ -1.183e-02 -1.979e-03 -2.620e-03 -5.735e-04 /

3280.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+1.2	+2.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+0.6	+2.0	+2.6

Chebyshev(coeffs=[[4.89856,-0.893421,-0.052355,0.00982809],[3.23636,0.288657,-0.155872,-0.0348722],[0.543325,0.278615,0.00788916,-0.0166804],[0.0085645,0.107156,0.041646,-0.00634863],[-0.038896,0.0131561,0.0342173,0.000934366],[-0.0121886,-0.0134361,0.0119166,0.0039458]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.35
S298 (cal/mol*K) = -41.73
G298 (kcal/mol) = -47.92

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(212); C5H6(62), C7H10(212); C2H4(115)+C5H6(62)(+M)=>C7H10(212)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.899e+00 -8.934e-01 -5.236e-02 9.828e-03 / CHEB/ 3.236e+00 2.887e-01 -1.559e-01 -3.487e-02 / CHEB/ 5.433e-01 2.786e-01 7.889e-03 -1.668e-02 / CHEB/ 8.565e-03 1.072e-01 4.165e-02 -6.349e-03 / CHEB/ -3.890e-02 1.316e-02 3.422e-02 9.344e-04 / CHEB/ -1.219e-02 -1.344e-02 1.192e-02 3.946e-03 /

3281.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+1.2	+2.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+0.6	+2.0	+2.6

H298 (kcal/mol) = -57.66
S298 (cal/mol*K) = -40.90
G298 (kcal/mol) = -45.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(213); C5H6(62), C7H10(213); C2H4(115)+C5H6(62)(+M)=>C7H10(213)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.899e+00 -8.934e-01 -5.236e-02 9.828e-03 / CHEB/ 3.236e+00 2.887e-01 -1.559e-01 -3.487e-02 / CHEB/ 5.433e-01 2.786e-01 7.889e-03 -1.668e-02 / CHEB/ 8.565e-03 1.072e-01 4.165e-02 -6.349e-03 / CHEB/ -3.890e-02 1.316e-02 3.422e-02 9.344e-04 / CHEB/ -1.219e-02 -1.344e-02 1.192e-02 3.946e-03 /

3282.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.2	-13.3	-5.8	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-35.4	-13.4	-5.8	-1.9

Chebyshev(coeffs=[[-27.2214,-0.250771,-0.145026,-0.0554432],[30.8103,0.183007,0.0981404,0.0299556],[0.362786,0.0595511,0.0359261,0.0150908],[0.0870251,-0.0120382,-0.0022316,0.00368541],[0.0164955,0.000138045,-0.000181207,-0.000174354],[0.000830486,0.000831602,-0.000116693,-0.000587761]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.18
S298 (cal/mol*K) = 4.12
G298 (kcal/mol) = 86.96

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H6(214); C2H4(115), C3H4(73); C2H4(115)+C5H6(62)(+M)=>C4H6(214)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.722e+01 -2.508e-01 -1.450e-01 -5.544e-02 / CHEB/ 3.081e+01 1.830e-01 9.814e-02 2.996e-02 / CHEB/ 3.628e-01 5.955e-02 3.593e-02 1.509e-02 / CHEB/ 8.703e-02 -1.204e-02 -2.232e-03 3.685e-03 / CHEB/ 1.650e-02 1.380e-04 -1.812e-04 -1.744e-04 / CHEB/ 8.305e-04 8.316e-04 -1.167e-04 -5.878e-04 /

3283.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.5	-13.8	-6.3	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-35.7	-13.9	-6.3	-2.4

Chebyshev(coeffs=[[-27.5987,-0.252679,-0.1459,-0.0555668],[30.6903,0.184333,0.0986176,0.0298741],[0.362305,0.0599386,0.0361237,0.015138],[0.0853895,-0.0120387,-0.00216083,0.00377263],[0.0150246,0.000152325,-0.000171533,-0.000164818],[0.000893893,0.000828917,-0.000124593,-0.000594986]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.60
S298 (cal/mol*K) = 1.09
G298 (kcal/mol) = 87.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(215); C2H4(115), CH2(T)(82); C2H4(115)+C5H6(62)(+M)=>C6H8(215)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.760e+01 -2.527e-01 -1.459e-01 -5.557e-02 / CHEB/ 3.069e+01 1.843e-01 9.862e-02 2.987e-02 / CHEB/ 3.623e-01 5.994e-02 3.612e-02 1.514e-02 / CHEB/ 8.539e-02 -1.204e-02 -2.161e-03 3.773e-03 / CHEB/ 1.502e-02 1.523e-04 -1.715e-04 -1.648e-04 / CHEB/ 8.939e-04 8.289e-04 -1.246e-04 -5.950e-04 /

3284.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-3.2	-0.5	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-3.6	-0.6	+0.9

Chebyshev(coeffs=[[-3.75096,-0.876408,-0.160063,0.00342695],[9.96699,0.568701,-0.0286137,-0.0496642],[0.579918,0.206161,0.0687228,-0.0101142],[0.0862781,0.0122371,0.0458112,0.010271],[-0.00434518,-0.0175973,0.0124528,0.0124038],[-0.00588107,-0.0105723,-0.00341114,0.00512854]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.05
S298 (cal/mol*K) = -29.17
G298 (kcal/mol) = 2.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(216); C5H6(62), C7H10(216); C2H4(115)+C5H6(62)(+M)=>C7H10(216)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.751e+00 -8.764e-01 -1.601e-01 3.427e-03 / CHEB/ 9.967e+00 5.687e-01 -2.861e-02 -4.966e-02 / CHEB/ 5.799e-01 2.062e-01 6.872e-02 -1.011e-02 / CHEB/ 8.628e-02 1.224e-02 4.581e-02 1.027e-02 / CHEB/ -4.345e-03 -1.760e-02 1.245e-02 1.240e-02 / CHEB/ -5.881e-03 -1.057e-02 -3.411e-03 5.129e-03 /

3309.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+0.4	+0.6	+0.6
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+1.2	+1.5	+1.6

Chebyshev(coeffs=[[5.51583,1.44435,-0.3134,-0.113649],[0.923965,0.335201,0.172465,0.047033],[0.195372,0.107352,0.0681167,0.0308444],[0.00316592,0.0793543,0.0426434,0.0138241],[-0.0474246,0.00757439,0.00660707,0.00461032],[-0.0444457,-0.0198951,-0.00869814,-0.00066596]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.49
S298 (cal/mol*K) = -42.78
G298 (kcal/mol) = -18.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(416); C2H4(72), C7H11(416); C5H7(210)+C2H4(72)(+M)=>C7H11(416)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.516e+00 1.444e+00 -3.134e-01 -1.136e-01 / CHEB/ 9.240e-01 3.352e-01 1.725e-01 4.703e-02 / CHEB/ 1.954e-01 1.074e-01 6.812e-02 3.084e-02 / CHEB/ 3.166e-03 7.935e-02 4.264e-02 1.382e-02 / CHEB/ -4.742e-02 7.574e-03 6.607e-03 4.610e-03 / CHEB/ -4.445e-02 -1.990e-02 -8.698e-03 -6.660e-04 /

3310.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+3.8	+4.6	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+3.6	+4.5	+4.9

Chebyshev(coeffs=[[8.53845,-0.516519,-0.293042,-0.10871],[1.80453,0.339762,0.177747,0.0515978],[0.514292,0.0853138,0.0576561,0.0295415],[0.104425,0.0631128,0.0343859,0.0118555],[-0.0162318,0.00192574,0.00286352,0.00283173],[-0.0299925,-0.0197163,-0.00983946,-0.00217986]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.95
S298 (cal/mol*K) = -17.94
G298 (kcal/mol) = -18.60

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(92); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.538e+00 -5.165e-01 -2.930e-01 -1.087e-01 / CHEB/ 1.805e+00 3.398e-01 1.777e-01 5.160e-02 / CHEB/ 5.143e-01 8.531e-02 5.766e-02 2.954e-02 / CHEB/ 1.044e-01 6.311e-02 3.439e-02 1.186e-02 / CHEB/ -1.623e-02 1.926e-03 2.864e-03 2.832e-03 / CHEB/ -2.999e-02 -1.972e-02 -9.839e-03 -2.180e-03 /

3311.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+4.3	+5.1	+5.5
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+4.1	+5.1	+5.5

Chebyshev(coeffs=[[8.88851,-0.504778,-0.287906,-0.107631],[2.04918,0.343197,0.179765,0.0522786],[0.54483,0.0839437,0.0574371,0.0296696],[0.0911986,0.0628079,0.0347552,0.0123344],[-0.0281455,0.00232883,0.0034576,0.00328789],[-0.0368918,-0.0193901,-0.009427,-0.0018612]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.67
S298 (cal/mol*K) = -15.59
G298 (kcal/mol) = -18.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(417); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(417)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.889e+00 -5.048e-01 -2.879e-01 -1.076e-01 / CHEB/ 2.049e+00 3.432e-01 1.798e-01 5.228e-02 / CHEB/ 5.448e-01 8.394e-02 5.744e-02 2.967e-02 / CHEB/ 9.120e-02 6.281e-02 3.476e-02 1.233e-02 / CHEB/ -2.815e-02 2.329e-03 3.458e-03 3.288e-03 / CHEB/ -3.689e-02 -1.939e-02 -9.427e-03 -1.861e-03 /

3312.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.2	+5.1	+5.5	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+4.9	+5.4	+5.6

Chebyshev(coeffs=[[10.2289,-0.620437,-0.298585,-0.0998267],[1.08773,0.403348,0.154916,0.0391979],[0.29146,0.11688,0.0747634,0.0253048],[0.0525898,0.0711269,0.0425342,0.0149502],[-0.0320117,0.0046847,0.00419712,0.00463009],[-0.0398792,-0.0193045,-0.00865874,-0.00119392]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.82
S298 (cal/mol*K) = -3.88
G298 (kcal/mol) = -33.67

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H6(418); C2H4(72), C2H5(419); C5H7(210)+C2H4(72)(+M)=>C5H6(418)+C2H5(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.023e+01 -6.204e-01 -2.986e-01 -9.983e-02 / CHEB/ 1.088e+00 4.033e-01 1.549e-01 3.920e-02 / CHEB/ 2.915e-01 1.169e-01 7.476e-02 2.530e-02 / CHEB/ 5.259e-02 7.113e-02 4.253e-02 1.495e-02 / CHEB/ -3.201e-02 4.685e-03 4.197e-03 4.630e-03 / CHEB/ -3.988e-02 -1.930e-02 -8.659e-03 -1.194e-03 /

3313.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+4.8	+5.7	+6.1
log₁₀(k(10 bar)/[mole,m,s])	+2.4	+4.6	+5.6	+6.1

Chebyshev(coeffs=[[9.11533,-0.491847,-0.28229,-0.106884],[2.36919,0.339874,0.179109,0.0529654],[0.575367,0.0786105,0.0549724,0.0292558],[0.0723701,0.0613332,0.0341904,0.0123031],[-0.0425166,0.00248982,0.0035222,0.0032929],[-0.0408682,-0.0190091,-0.00935114,-0.00194075]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.46
S298 (cal/mol*K) = -2.12
G298 (kcal/mol) = -16.83

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(420); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(420)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.115e+00 -4.918e-01 -2.823e-01 -1.069e-01 / CHEB/ 2.369e+00 3.399e-01 1.791e-01 5.297e-02 / CHEB/ 5.754e-01 7.861e-02 5.497e-02 2.926e-02 / CHEB/ 7.237e-02 6.133e-02 3.419e-02 1.230e-02 / CHEB/ -4.252e-02 2.490e-03 3.522e-03 3.293e-03 / CHEB/ -4.087e-02 -1.901e-02 -9.351e-03 -1.941e-03 /

3314.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+3.8	+4.9	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+0.7	+3.6	+4.9	+5.4

Chebyshev(coeffs=[[7.46679,-0.472013,-0.258119,-0.0978353],[3.41145,0.3358,0.161296,0.0489547],[0.58377,0.0685511,0.0518448,0.0251628],[0.0429365,0.0560348,0.0326652,0.0128496],[-0.0444182,0.00188636,0.00228103,0.00287479],[-0.0394211,-0.0174794,-0.00895767,-0.00248529]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = 0.05
G298 (kcal/mol) = -1.31

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H6(421); C2H4(72), C2H5(419); C5H7(210)+C2H4(72)(+M)=>C2H5(419)+C5H6(421)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.467e+00 -4.720e-01 -2.581e-01 -9.784e-02 / CHEB/ 3.411e+00 3.358e-01 1.613e-01 4.895e-02 / CHEB/ 5.838e-01 6.855e-02 5.184e-02 2.516e-02 / CHEB/ 4.294e-02 5.603e-02 3.267e-02 1.285e-02 / CHEB/ -4.442e-02 1.886e-03 2.281e-03 2.875e-03 / CHEB/ -3.942e-02 -1.748e-02 -8.958e-03 -2.485e-03 /

3315.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-1.5	+1.1	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-1.6	+1.1	+2.4

Chebyshev(coeffs=[[-2.40996,-0.222559,-0.143299,-0.0692706],[10.5477,0.139508,0.0874302,0.0400429],[0.289665,0.0457882,0.0305683,0.0157326],[0.0339632,0.0379806,0.0238386,0.010953],[-0.0326163,-0.00166203,-0.000263754,0.000634789],[-0.0292335,-0.0130161,-0.00783088,-0.00325978]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.54
S298 (cal/mol*K) = 0.23
G298 (kcal/mol) = 30.47

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(422); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>C6H8(422)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.410e+00 -2.226e-01 -1.433e-01 -6.927e-02 / CHEB/ 1.055e+01 1.395e-01 8.743e-02 4.004e-02 / CHEB/ 2.897e-01 4.579e-02 3.057e-02 1.573e-02 / CHEB/ 3.396e-02 3.798e-02 2.384e-02 1.095e-02 / CHEB/ -3.262e-02 -1.662e-03 -2.638e-04 6.348e-04 / CHEB/ -2.923e-02 -1.302e-02 -7.831e-03 -3.260e-03 /

3316.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.9	-5.1	-1.6	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-5.2	-1.6	+0.1

Chebyshev(coeffs=[[-7.85807,-0.181915,-0.118834,-0.0590575],[13.5733,0.108256,0.0694137,0.0333005],[0.361247,0.0399008,0.026464,0.0134859],[0.072563,0.0329956,0.0210813,0.0100365],[-0.0112559,-0.00190181,-0.000651173,0.000235089],[-0.019144,-0.0113198,-0.00698753,-0.00308662]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.17
S298 (cal/mol*K) = -7.58
G298 (kcal/mol) = 42.43

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(112); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.858e+00 -1.819e-01 -1.188e-01 -5.906e-02 / CHEB/ 1.357e+01 1.083e-01 6.941e-02 3.330e-02 / CHEB/ 3.612e-01 3.990e-02 2.646e-02 1.349e-02 / CHEB/ 7.256e-02 3.300e-02 2.108e-02 1.004e-02 / CHEB/ -1.126e-02 -1.902e-03 -6.512e-04 2.351e-04 / CHEB/ -1.914e-02 -1.132e-02 -6.988e-03 -3.087e-03 /

3317.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-0.3	+1.7	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.5	+1.6	+2.7

Chebyshev(coeffs=[[1.77805,-0.36852,-0.221367,-0.0941709],[6.06393,0.248323,0.141412,0.0531004],[0.755065,0.0538706,0.0377115,0.0209361],[0.112441,0.0484696,0.027955,0.010622],[-0.017695,-3.26571e-05,0.000993167,0.00144361],[-0.0233785,-0.0159626,-0.00913302,-0.00330504]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.58
S298 (cal/mol*K) = -14.01
G298 (kcal/mol) = 13.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(67); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.778e+00 -3.685e-01 -2.214e-01 -9.417e-02 / CHEB/ 6.064e+00 2.483e-01 1.414e-01 5.310e-02 / CHEB/ 7.551e-01 5.387e-02 3.771e-02 2.094e-02 / CHEB/ 1.124e-01 4.847e-02 2.795e-02 1.062e-02 / CHEB/ -1.770e-02 -3.266e-05 9.932e-04 1.444e-03 / CHEB/ -2.338e-02 -1.596e-02 -9.133e-03 -3.305e-03 /

3318.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.3	-6.1	-1.7	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-6.1	-1.7	+0.5

Chebyshev(coeffs=[[-12.1865,-0.111505,-0.0747298,-0.0388868],[18.6182,0.0598112,0.039797,0.0204404],[0.11036,0.0295959,0.019633,0.0100266],[0.0165479,0.0227708,0.0150614,0.00765262],[-0.0179134,-0.00219228,-0.00112419,-0.000264678],[-0.0180048,-0.00798153,-0.00510574,-0.00243058]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.87
S298 (cal/mol*K) = 5.11
G298 (kcal/mol) = 57.35

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(424); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(424)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.219e+01 -1.115e-01 -7.473e-02 -3.889e-02 / CHEB/ 1.862e+01 5.981e-02 3.980e-02 2.044e-02 / CHEB/ 1.104e-01 2.960e-02 1.963e-02 1.003e-02 / CHEB/ 1.655e-02 2.277e-02 1.506e-02 7.653e-03 / CHEB/ -1.791e-02 -2.192e-03 -1.124e-03 -2.647e-04 / CHEB/ -1.800e-02 -7.982e-03 -5.106e-03 -2.431e-03 /

3319.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-5.3	-1.6	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-5.3	-1.6	+0.3

Chebyshev(coeffs=[[-8.53347,-0.182138,-0.117448,-0.0571695],[14.3553,0.112517,0.0697903,0.0316394],[0.40224,0.0376181,0.0259949,0.0139659],[0.0854196,0.0323056,0.0205431,0.0097777],[-0.00636881,-0.00164514,-0.000572004,0.000176114],[-0.0176587,-0.0110044,-0.00675992,-0.00295939]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.52
S298 (cal/mol*K) = -12.00
G298 (kcal/mol) = 45.09

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(425); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.533e+00 -1.821e-01 -1.174e-01 -5.717e-02 / CHEB/ 1.436e+01 1.125e-01 6.979e-02 3.164e-02 / CHEB/ 4.022e-01 3.762e-02 2.599e-02 1.397e-02 / CHEB/ 8.542e-02 3.231e-02 2.054e-02 9.778e-03 / CHEB/ -6.369e-03 -1.645e-03 -5.720e-04 1.761e-04 / CHEB/ -1.766e-02 -1.100e-02 -6.760e-03 -2.959e-03 /

3320.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-3.3	-0.2	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-3.4	-0.2	+1.3

Chebyshev(coeffs=[[-4.76662,-0.219061,-0.140999,-0.0681931],[11.5884,0.135286,0.0848695,0.0390296],[0.45286,0.0451519,0.0300388,0.0153637],[0.0848707,0.0376751,0.0236246,0.0108391],[-0.0147477,-0.00145506,-0.000193121,0.000614533],[-0.0227599,-0.0126891,-0.00765244,-0.00320745]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.61
S298 (cal/mol*K) = -6.79
G298 (kcal/mol) = 34.63

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(426); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(426)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.767e+00 -2.191e-01 -1.410e-01 -6.819e-02 / CHEB/ 1.159e+01 1.353e-01 8.487e-02 3.903e-02 / CHEB/ 4.529e-01 4.515e-02 3.004e-02 1.536e-02 / CHEB/ 8.487e-02 3.768e-02 2.362e-02 1.084e-02 / CHEB/ -1.475e-02 -1.455e-03 -1.931e-04 6.145e-04 / CHEB/ -2.276e-02 -1.269e-02 -7.652e-03 -3.207e-03 /

3321.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.9	-7.5	-3.1	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-20.0	-7.5	-3.2	-0.9

Chebyshev(coeffs=[[-12.6865,-0.133573,-0.0888635,-0.045638],[17.3604,0.0751236,0.0494365,0.0248855],[0.333915,0.0330274,0.021894,0.0111639],[0.0769086,0.0263002,0.0172235,0.00859174],[-0.0020621,-0.00215768,-0.00100516,-0.000115462],[-0.0138076,-0.00914816,-0.00578579,-0.00269094]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.92
S298 (cal/mol*K) = -11.32
G298 (kcal/mol) = 56.29

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(427); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(427)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.269e+01 -1.336e-01 -8.886e-02 -4.564e-02 / CHEB/ 1.736e+01 7.512e-02 4.944e-02 2.489e-02 / CHEB/ 3.339e-01 3.303e-02 2.189e-02 1.116e-02 / CHEB/ 7.691e-02 2.630e-02 1.722e-02 8.592e-03 / CHEB/ -2.062e-03 -2.158e-03 -1.005e-03 -1.155e-04 / CHEB/ -1.381e-02 -9.148e-03 -5.786e-03 -2.691e-03 /

3322.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+3.3	+3.8	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+3.1	+3.7	+4.0

Chebyshev(coeffs=[[8.39015,-0.493154,-0.282587,-0.106744],[1.22781,0.298816,0.15735,0.0466244],[0.361497,0.103185,0.0646962,0.0287773],[0.0735756,0.067887,0.0379702,0.01374],[-0.0218448,0.00213867,0.00356367,0.00354852],[-0.0335446,-0.0194243,-0.00909082,-0.00142874]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.68
S298 (cal/mol*K) = -50.44
G298 (kcal/mol) = -56.65

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(428); C2H4(72), C7H11(428); C5H7(210)+C2H4(72)(+M)=>C7H11(428)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.390e+00 -4.932e-01 -2.826e-01 -1.067e-01 / CHEB/ 1.228e+00 2.988e-01 1.573e-01 4.662e-02 / CHEB/ 3.615e-01 1.032e-01 6.470e-02 2.878e-02 / CHEB/ 7.358e-02 6.789e-02 3.797e-02 1.374e-02 / CHEB/ -2.184e-02 2.139e-03 3.564e-03 3.549e-03 / CHEB/ -3.354e-02 -1.942e-02 -9.091e-03 -1.429e-03 /

3323.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-6.9	-3.0	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-7.0	-3.0	-1.1

Chebyshev(coeffs=[[-11.3244,-0.142812,-0.0947086,-0.0483616],[16.033,0.0816074,0.0534476,0.0266683],[0.228267,0.0344425,0.0228339,0.0116428],[0.0432613,0.0277025,0.0180644,0.00893948],[-0.0149482,-0.0021291,-0.00094517,-4.72602e-05],[-0.018906,-0.00961361,-0.00605062,-0.00278563]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.19
S298 (cal/mol*K) = -4.36
G298 (kcal/mol) = 50.49

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(429); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(429)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.132e+01 -1.428e-01 -9.471e-02 -4.836e-02 / CHEB/ 1.603e+01 8.161e-02 5.345e-02 2.667e-02 / CHEB/ 2.283e-01 3.444e-02 2.283e-02 1.164e-02 / CHEB/ 4.326e-02 2.770e-02 1.806e-02 8.939e-03 / CHEB/ -1.495e-02 -2.129e-03 -9.452e-04 -4.726e-05 / CHEB/ -1.891e-02 -9.614e-03 -6.051e-03 -2.786e-03 /

3324.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+2.2	+3.0	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+2.0	+3.0	+3.4

Chebyshev(coeffs=[[6.79365,-0.502657,-0.287375,-0.107788],[2.03498,0.343536,0.180184,0.0524827],[0.527813,0.0837591,0.0575921,0.0298702],[0.0811399,0.0628972,0.0349661,0.0125023],[-0.0326443,0.00239712,0.00355661,0.00338621],[-0.0385506,-0.0194122,-0.00942481,-0.00182646]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.80
S298 (cal/mol*K) = -43.17
G298 (kcal/mol) = -77.94

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(430); C2H4(72), C7H11(430); C5H7(210)+C2H4(72)(+M)=>C7H11(430)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.794e+00 -5.027e-01 -2.874e-01 -1.078e-01 / CHEB/ 2.035e+00 3.435e-01 1.802e-01 5.248e-02 / CHEB/ 5.278e-01 8.376e-02 5.759e-02 2.987e-02 / CHEB/ 8.114e-02 6.290e-02 3.497e-02 1.250e-02 / CHEB/ -3.264e-02 2.397e-03 3.557e-03 3.386e-03 / CHEB/ -3.855e-02 -1.941e-02 -9.425e-03 -1.826e-03 /

3325.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.9	-8.7	-3.5	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-8.7	-3.6	-1.0

Chebyshev(coeffs=[[-16.5977,-0.0895875,-0.0604562,-0.0318443],[21.4665,0.0449395,0.0302098,0.0158031],[0.136301,0.0260355,0.0173159,0.00888554],[0.0286235,0.0190074,0.0126906,0.00655854],[-0.00989382,-0.0021617,-0.00119638,-0.00038731],[-0.0137413,-0.0067456,-0.00436356,-0.00212386]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.47
S298 (cal/mol*K) = 1.33
G298 (kcal/mol) = 59.08

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H4(432); C2H4(72), C3H7(431); C5H7(210)+C2H4(72)(+M)=>C3H7(431)+C4H4(432)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.660e+01 -8.959e-02 -6.046e-02 -3.184e-02 / CHEB/ 2.147e+01 4.494e-02 3.021e-02 1.580e-02 / CHEB/ 1.363e-01 2.604e-02 1.732e-02 8.886e-03 / CHEB/ 2.862e-02 1.901e-02 1.269e-02 6.559e-03 / CHEB/ -9.894e-03 -2.162e-03 -1.196e-03 -3.873e-04 / CHEB/ -1.374e-02 -6.746e-03 -4.364e-03 -2.124e-03 /

3368.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+1.1	+2.1	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+0.8	+2.0	+2.7

Chebyshev(coeffs=[[5.99512,-0.854949,-0.148609,-0.0481305],[1.83763,0.694095,0.00757786,0.0120802],[0.609648,0.159024,0.07986,-0.00870499],[0.209017,-0.00233005,0.0428564,0.0215428],[0.0406958,-0.0341515,-0.00587432,0.0104068],[-0.0153437,-0.0175015,-0.00947287,-0.00257204]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.63
S298 (cal/mol*K) = -42.31
G298 (kcal/mol) = -44.03

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(433); C2H4(72), C7H11(433); C5H7(210)+C2H4(72)(+M)=>C7H11(433)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.995e+00 -8.549e-01 -1.486e-01 -4.813e-02 / CHEB/ 1.838e+00 6.941e-01 7.578e-03 1.208e-02 / CHEB/ 6.096e-01 1.590e-01 7.986e-02 -8.705e-03 / CHEB/ 2.090e-01 -2.330e-03 4.286e-02 2.154e-02 / CHEB/ 4.070e-02 -3.415e-02 -5.874e-03 1.041e-02 / CHEB/ -1.534e-02 -1.750e-02 -9.473e-03 -2.572e-03 /

3369.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+2.9	+3.8	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+2.5	+3.6	+4.3

Chebyshev(coeffs=[[7.40814,-1.17077,-0.442716,-0.0704959],[2.1063,0.843043,0.198057,-0.0321522],[0.54332,0.155671,0.135167,0.0459294],[0.160645,0.0671101,0.0413501,0.0208259],[0.0417143,0.0250797,0.00759074,0.00233185],[-0.00291692,-0.00903001,-0.00132534,0.000692392]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.95
S298 (cal/mol*K) = -17.94
G298 (kcal/mol) = -18.60

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(80); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.408e+00 -1.171e+00 -4.427e-01 -7.050e-02 / CHEB/ 2.106e+00 8.430e-01 1.981e-01 -3.215e-02 / CHEB/ 5.433e-01 1.557e-01 1.352e-01 4.593e-02 / CHEB/ 1.606e-01 6.711e-02 4.135e-02 2.083e-02 / CHEB/ 4.171e-02 2.508e-02 7.591e-03 2.332e-03 / CHEB/ -2.917e-03 -9.030e-03 -1.325e-03 6.924e-04 /

3370.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.9	+4.6	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+3.3	+4.3	+5.0

Chebyshev(coeffs=[[8.69941,-1.50909,-0.371735,-0.034767],[1.65599,1.00557,0.0829144,-0.0233434],[0.408173,0.267027,0.124207,-0.00901163],[0.143843,0.0780165,0.058182,0.0122919],[0.0518503,0.0249055,0.0103005,0.00736753],[0.00188646,0.000392789,0.00303567,0.00205463]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.22
S298 (cal/mol*K) = -40.97
G298 (kcal/mol) = -49.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(434); C2H4(72), C7H11(434); C5H7(210)+C2H4(72)(+M)=>C7H11(434)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.699e+00 -1.509e+00 -3.717e-01 -3.477e-02 / CHEB/ 1.656e+00 1.006e+00 8.291e-02 -2.334e-02 / CHEB/ 4.082e-01 2.670e-01 1.242e-01 -9.012e-03 / CHEB/ 1.438e-01 7.802e-02 5.818e-02 1.229e-02 / CHEB/ 5.185e-02 2.491e-02 1.030e-02 7.368e-03 / CHEB/ 1.886e-03 3.928e-04 3.036e-03 2.055e-03 /

3371.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+3.9	+4.0	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+3.6	+3.8	+4.0

Chebyshev(coeffs=[[9.57499,-0.635707,-0.332469,-0.110683],[0.206093,0.274052,0.138175,0.0387112],[0.0851167,0.108661,0.057349,0.0225304],[0.0694444,0.0953627,0.0415702,0.00853726],[0.0174336,0.021685,0.00913638,0.00191085],[-0.00645299,-0.0104375,-0.00543918,-0.00157575]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.42
S298 (cal/mol*K) = -42.07
G298 (kcal/mol) = -57.89

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(435); C2H4(72), C7H11(435); C5H7(210)+C2H4(72)(+M)=>C7H11(435)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.575e+00 -6.357e-01 -3.325e-01 -1.107e-01 / CHEB/ 2.061e-01 2.741e-01 1.382e-01 3.871e-02 / CHEB/ 8.512e-02 1.087e-01 5.735e-02 2.253e-02 / CHEB/ 6.944e-02 9.536e-02 4.157e-02 8.537e-03 / CHEB/ 1.743e-02 2.169e-02 9.136e-03 1.911e-03 / CHEB/ -6.453e-03 -1.044e-02 -5.439e-03 -1.576e-03 /

3372.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+3.1	+3.7	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+0.9	+2.5	+3.4	+4.0

Chebyshev(coeffs=[[7.96327,-1.45922,-0.341236,-0.0214566],[1.4989,0.927871,0.0413054,-0.0377051],[0.352541,0.276202,0.128142,-0.00946653],[0.116548,0.0816709,0.0591574,0.0130841],[0.0406075,0.0259214,0.00897905,0.00607719],[-0.000114043,0.00270941,0.00357122,0.00163189]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.42
S298 (cal/mol*K) = -42.07
G298 (kcal/mol) = -57.89

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(436); C2H4(72), C7H11(436); C5H7(210)+C2H4(72)(+M)=>C7H11(436)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.963e+00 -1.459e+00 -3.412e-01 -2.146e-02 / CHEB/ 1.499e+00 9.279e-01 4.131e-02 -3.771e-02 / CHEB/ 3.525e-01 2.762e-01 1.281e-01 -9.467e-03 / CHEB/ 1.165e-01 8.167e-02 5.916e-02 1.308e-02 / CHEB/ 4.061e-02 2.592e-02 8.979e-03 6.077e-03 / CHEB/ -1.140e-04 2.709e-03 3.571e-03 1.632e-03 /

3373.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.7	+4.1	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+3.0	+3.8	+4.3

Chebyshev(coeffs=[[8.64563,-1.47881,-0.34207,-0.0205267],[1.2207,0.916507,0.0367276,-0.0365615],[0.264655,0.285024,0.125713,-0.0111213],[0.0994169,0.0903792,0.0596834,0.0113944],[0.0409014,0.0293754,0.0100202,0.00559494],[0.00176358,0.00350259,0.00422313,0.00164188]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.22
S298 (cal/mol*K) = -40.97
G298 (kcal/mol) = -49.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(437); C2H4(72), C7H11(437); C5H7(210)+C2H4(72)(+M)=>C7H11(437)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.646e+00 -1.479e+00 -3.421e-01 -2.053e-02 / CHEB/ 1.221e+00 9.165e-01 3.673e-02 -3.656e-02 / CHEB/ 2.647e-01 2.850e-01 1.257e-01 -1.112e-02 / CHEB/ 9.942e-02 9.038e-02 5.968e-02 1.139e-02 / CHEB/ 4.090e-02 2.938e-02 1.002e-02 5.595e-03 / CHEB/ 1.764e-03 3.503e-03 4.223e-03 1.642e-03 /

3374.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.1	+3.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.3	+4.4	+4.3

Chebyshev(coeffs=[[9.37503,0.281767,-0.433964,-0.0538744],[0.161078,0.92969,0.0755248,-0.00152976],[0.000284016,0.27162,0.0927516,-0.0201702],[-0.0552336,0.13251,0.0572819,0.00322873],[-0.0920882,0.0647543,0.01851,0.00438741],[-0.0732465,0.0184,0.00872932,0.00071718]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.13
S298 (cal/mol*K) = -44.62
G298 (kcal/mol) = -76.84

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(438); C2H4(72), C7H11(438); C5H7(210)+C2H4(72)(+M)=>C7H11(438)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.375e+00 2.818e-01 -4.340e-01 -5.387e-02 / CHEB/ 1.611e-01 9.297e-01 7.552e-02 -1.530e-03 / CHEB/ 2.840e-04 2.716e-01 9.275e-02 -2.017e-02 / CHEB/ -5.523e-02 1.325e-01 5.728e-02 3.229e-03 / CHEB/ -9.209e-02 6.475e-02 1.851e-02 4.387e-03 / CHEB/ -7.325e-02 1.840e-02 8.729e-03 7.172e-04 /

3375.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+4.1	+4.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+3.6	+4.6	+5.2

Chebyshev(coeffs=[[8.92462,-1.19068,-0.526615,-0.151231],[1.57775,0.695892,0.283765,0.0903586],[0.559441,0.272004,0.105781,0.01208],[0.155316,0.120395,0.0536364,-0.00178673],[0.00160414,-0.00318058,0.00528101,0.00637289],[-0.0193985,-0.0180652,-0.00363562,0.00497411]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.67
S298 (cal/mol*K) = -6.32
G298 (kcal/mol) = -20.79

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(81); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>C6H8(81)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.925e+00 -1.191e+00 -5.266e-01 -1.512e-01 / CHEB/ 1.578e+00 6.959e-01 2.838e-01 9.036e-02 / CHEB/ 5.594e-01 2.720e-01 1.058e-01 1.208e-02 / CHEB/ 1.553e-01 1.204e-01 5.364e-02 -1.787e-03 / CHEB/ 1.604e-03 -3.181e-03 5.281e-03 6.373e-03 / CHEB/ -1.940e-02 -1.807e-02 -3.636e-03 4.974e-03 /

3376.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-0.3	+1.7	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.8	-0.7	+1.6	+2.8

Chebyshev(coeffs=[[1.54089,-1.03231,-0.345393,-0.0381078],[6.33898,0.818683,0.152187,-0.0428577],[0.730739,0.108491,0.117095,0.0326991],[0.140247,0.0251363,0.0271845,0.0210418],[0.0207973,0.018948,0.00148463,0.000745621],[-0.0100258,0.000779857,0.00215245,0.000243082]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.10
S298 (cal/mol*K) = 0.73
G298 (kcal/mol) = 9.88

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H6(62); C2H4(72), C2H5(419); C5H7(210)+C2H4(72)(+M)=>C5H6(62)+C2H5(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.541e+00 -1.032e+00 -3.454e-01 -3.811e-02 / CHEB/ 6.339e+00 8.187e-01 1.522e-01 -4.286e-02 / CHEB/ 7.307e-01 1.085e-01 1.171e-01 3.270e-02 / CHEB/ 1.402e-01 2.514e-02 2.718e-02 2.104e-02 / CHEB/ 2.080e-02 1.895e-02 1.485e-03 7.456e-04 / CHEB/ -1.003e-02 7.799e-04 2.152e-03 2.431e-04 /

3377.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	-0.5	+1.3	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-4.8	-0.9	+1.1	+2.3

Chebyshev(coeffs=[[2.72715,-1.0403,-0.432243,-0.122272],[4.32615,0.667261,0.224082,0.0651597],[1.04759,0.217796,0.0935495,0.00494425],[0.215912,0.0814209,0.0542929,0.009617],[0.0175051,-0.00561015,0.00306864,0.00959053],[-0.0111371,-0.0114594,-0.00540328,0.00145631]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.62
S298 (cal/mol*K) = -18.53
G298 (kcal/mol) = 0.90

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(63); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.727e+00 -1.040e+00 -4.322e-01 -1.223e-01 / CHEB/ 4.326e+00 6.673e-01 2.241e-01 6.516e-02 / CHEB/ 1.048e+00 2.178e-01 9.355e-02 4.944e-03 / CHEB/ 2.159e-01 8.142e-02 5.429e-02 9.617e-03 / CHEB/ 1.751e-02 -5.610e-03 3.069e-03 9.591e-03 / CHEB/ -1.114e-02 -1.146e-02 -5.403e-03 1.456e-03 /

3378.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-4.3	-1.4	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-4.6	-1.5	+0.2

Chebyshev(coeffs=[[-3.99215,-0.904789,-0.342387,-0.0488308],[8.99784,0.719404,0.176654,-0.0305887],[0.885334,0.0889677,0.099309,0.0382566],[0.21325,0.0256578,0.0222304,0.0175882],[0.043592,0.0189177,0.00333965,-4.69883e-05],[-0.00265601,0.000136634,0.00200516,0.000577849]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.78
S298 (cal/mol*K) = -12.91
G298 (kcal/mol) = 22.62

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(65); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.992e+00 -9.048e-01 -3.424e-01 -4.883e-02 / CHEB/ 8.998e+00 7.194e-01 1.767e-01 -3.059e-02 / CHEB/ 8.853e-01 8.897e-02 9.931e-02 3.826e-02 / CHEB/ 2.133e-01 2.566e-02 2.223e-02 1.759e-02 / CHEB/ 4.359e-02 1.892e-02 3.340e-03 -4.699e-05 / CHEB/ -2.656e-03 1.366e-04 2.005e-03 5.778e-04 /

3379.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	-1.7	+1.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-2.0	+1.6	+3.6

Chebyshev(coeffs=[[-2.93738,-0.742213,-0.323337,-0.0641345],[11.3756,0.592886,0.192502,-0.00798141],[0.822567,0.0652316,0.0754725,0.0397118],[0.232964,0.0258822,0.0180092,0.0132189],[0.0602902,0.018141,0.00531705,-0.000314102],[0.00177277,-0.000961025,0.0013151,0.000903306]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.53
S298 (cal/mol*K) = 3.26
G298 (kcal/mol) = 27.56

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H7(439); C2H4(72), C3H4(73); C5H7(210)+C2H4(72)(+M)=>C3H4(73)+C4H7(439)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.937e+00 -7.422e-01 -3.233e-01 -6.413e-02 / CHEB/ 1.138e+01 5.929e-01 1.925e-01 -7.981e-03 / CHEB/ 8.226e-01 6.523e-02 7.547e-02 3.971e-02 / CHEB/ 2.330e-01 2.588e-02 1.801e-02 1.322e-02 / CHEB/ 6.029e-02 1.814e-02 5.317e-03 -3.141e-04 / CHEB/ 1.773e-03 -9.610e-04 1.315e-03 9.033e-04 /

3380.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-1.8	+0.5	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-2.0	+0.4	+1.9

Chebyshev(coeffs=[[0.284454,-0.487831,-0.2367,-0.0866323],[6.43095,0.264112,0.0996819,0.0366775],[0.853822,0.0765616,0.0474105,0.0117336],[0.239214,0.0750196,0.0401774,0.0110461],[0.083771,0.0219291,0.0105236,0.00375954],[0.00849438,-0.0059485,-0.00279261,-0.000522182]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.58
S298 (cal/mol*K) = -14.01
G298 (kcal/mol) = 13.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(69); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.845e-01 -4.878e-01 -2.367e-01 -8.663e-02 / CHEB/ 6.431e+00 2.641e-01 9.968e-02 3.668e-02 / CHEB/ 8.538e-01 7.656e-02 4.741e-02 1.173e-02 / CHEB/ 2.392e-01 7.502e-02 4.018e-02 1.105e-02 / CHEB/ 8.377e-02 2.193e-02 1.052e-02 3.760e-03 / CHEB/ 8.494e-03 -5.948e-03 -2.793e-03 -5.222e-04 /

3381.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-3.9	-1.3	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-4.1	-1.4	+0.1

Chebyshev(coeffs=[[-3.47679,-0.722399,-0.354601,-0.102609],[8.65791,0.565992,0.224554,0.0283958],[0.705654,0.0479648,0.0645473,0.0423833],[0.164535,0.0493666,0.0263251,0.0116627],[0.0288337,0.0210857,0.00924906,0.00155929],[-0.00306848,-0.00872673,-0.00324453,-0.000225628]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.12
S298 (cal/mol*K) = -17.62
G298 (kcal/mol) = 23.37

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(71); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.477e+00 -7.224e-01 -3.546e-01 -1.026e-01 / CHEB/ 8.658e+00 5.660e-01 2.246e-01 2.840e-02 / CHEB/ 7.057e-01 4.796e-02 6.455e-02 4.238e-02 / CHEB/ 1.645e-01 4.937e-02 2.633e-02 1.166e-02 / CHEB/ 2.883e-02 2.109e-02 9.249e-03 1.559e-03 / CHEB/ -3.068e-03 -8.727e-03 -3.245e-03 -2.256e-04 /

3382.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+1.3	+2.1	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+0.7	+1.8	+2.5

Chebyshev(coeffs=[[5.84692,-1.42429,-0.339014,-0.0226482],[1.98039,0.946239,0.0503286,-0.0391002],[0.498701,0.260577,0.132362,-0.00621384],[0.145278,0.0679456,0.0578364,0.0159157],[0.0429449,0.0211634,0.00703261,0.00662232],[-0.000774766,0.00174982,0.0025075,0.00144611]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.39
S298 (cal/mol*K) = -40.09
G298 (kcal/mol) = -39.45

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(440); C2H4(72), C7H11(440); C5H7(210)+C2H4(72)(+M)=>C7H11(440)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.847e+00 -1.424e+00 -3.390e-01 -2.265e-02 / CHEB/ 1.980e+00 9.462e-01 5.033e-02 -3.910e-02 / CHEB/ 4.987e-01 2.606e-01 1.324e-01 -6.214e-03 / CHEB/ 1.453e-01 6.795e-02 5.784e-02 1.592e-02 / CHEB/ 4.294e-02 2.116e-02 7.033e-03 6.622e-03 / CHEB/ -7.748e-04 1.750e-03 2.507e-03 1.446e-03 /

3383.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+2.0	+2.3	+2.5
log₁₀(k(10 bar)/[mole,m,s])	+0.1	+1.3	+2.0	+2.4

Chebyshev(coeffs=[[7.01091,-1.48879,-0.343596,-0.0202143],[1.07416,0.90633,0.0331701,-0.0362799],[0.204366,0.284635,0.123403,-0.0119158],[0.0775376,0.092993,0.0589909,0.0104115],[0.0337894,0.0315405,0.0100702,0.00499993],[-0.00184993,0.00475193,0.00445405,0.00134257]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -96.90
S298 (cal/mol*K) = -54.60
G298 (kcal/mol) = -80.63

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(441); C2H4(72), C7H11(441); C5H7(210)+C2H4(72)(+M)=>C7H11(441)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.011e+00 -1.489e+00 -3.436e-01 -2.021e-02 / CHEB/ 1.074e+00 9.063e-01 3.317e-02 -3.628e-02 / CHEB/ 2.044e-01 2.846e-01 1.234e-01 -1.192e-02 / CHEB/ 7.754e-02 9.299e-02 5.899e-02 1.041e-02 / CHEB/ 3.379e-02 3.154e-02 1.007e-02 5.000e-03 / CHEB/ -1.850e-03 4.752e-03 4.454e-03 1.343e-03 /

3384.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-2.6	-0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-2.9	-0.2	+1.3

Chebyshev(coeffs=[[-1.67661,-0.761672,-0.362986,-0.113118],[7.94083,0.485993,0.192418,0.0517983],[0.852307,0.166194,0.0934709,0.0201894],[0.212214,0.065718,0.0412304,0.0147302],[0.0154008,-0.00467561,-0.00122805,0.00430021],[-0.0140837,-0.0122739,-0.00552974,-0.000742137]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.08
S298 (cal/mol*K) = -6.75
G298 (kcal/mol) = 19.09

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(442); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(442)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.677e+00 -7.617e-01 -3.630e-01 -1.131e-01 / CHEB/ 7.941e+00 4.860e-01 1.924e-01 5.180e-02 / CHEB/ 8.523e-01 1.662e-01 9.347e-02 2.019e-02 / CHEB/ 2.122e-01 6.572e-02 4.123e-02 1.473e-02 / CHEB/ 1.540e-02 -4.676e-03 -1.228e-03 4.300e-03 / CHEB/ -1.408e-02 -1.227e-02 -5.530e-03 -7.421e-04 /

3385.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.9	-7.5	-3.0	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-7.7	-3.0	-0.5

Chebyshev(coeffs=[[-12.6655,-0.406997,-0.228202,-0.0822709],[17.3803,0.305966,0.151716,0.0365531],[0.520551,0.0307811,0.0320332,0.0242044],[0.175399,0.0291845,0.0167977,0.00703911],[0.0406339,0.0164263,0.00838074,0.00213646],[-0.00272354,-0.00198134,-0.000106388,0.000855061]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.41
S298 (cal/mol*K) = -3.34
G298 (kcal/mol) = 43.40

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(443); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(443)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.267e+01 -4.070e-01 -2.282e-01 -8.227e-02 / CHEB/ 1.738e+01 3.060e-01 1.517e-01 3.655e-02 / CHEB/ 5.206e-01 3.078e-02 3.203e-02 2.420e-02 / CHEB/ 1.754e-01 2.918e-02 1.680e-02 7.039e-03 / CHEB/ 4.063e-02 1.643e-02 8.381e-03 2.136e-03 / CHEB/ -2.724e-03 -1.981e-03 -1.064e-04 8.551e-04 /

3386.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-4.4	-1.1	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-4.7	-1.2	+0.8

Chebyshev(coeffs=[[-4.94735,-0.820709,-0.330161,-0.0548583],[10.4082,0.679032,0.191549,-0.0200044],[1.03788,0.0675043,0.087678,0.0414209],[0.260408,0.0199361,0.0170088,0.0155396],[0.0588021,0.0166478,0.00307745,-0.000749051],[0.00226525,-0.00119905,0.00129206,0.000507009]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.58
S298 (cal/mol*K) = -13.17
G298 (kcal/mol) = 26.50

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(90); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.947e+00 -8.207e-01 -3.302e-01 -5.486e-02 / CHEB/ 1.041e+01 6.790e-01 1.915e-01 -2.000e-02 / CHEB/ 1.038e+00 6.750e-02 8.768e-02 4.142e-02 / CHEB/ 2.604e-01 1.994e-02 1.701e-02 1.554e-02 / CHEB/ 5.880e-02 1.665e-02 3.077e-03 -7.491e-04 / CHEB/ 2.265e-03 -1.199e-03 1.292e-03 5.070e-04 /

3387.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+0.5	+1.9	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+0.0	+1.6	+2.6

Chebyshev(coeffs=[[4.34556,-1.33542,-0.337235,-0.0258379],[3.28116,0.963741,0.0719395,-0.0429508],[0.773143,0.20952,0.138155,0.00307922],[0.171719,0.0420656,0.0506887,0.0214617],[0.0392213,0.0178808,0.0026117,0.00601797],[-0.00302123,0.00224784,0.00149002,0.000480947]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -54.02
S298 (cal/mol*K) = -36.17
G298 (kcal/mol) = -43.24

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(444); C2H4(72), C7H11(444); C5H7(210)+C2H4(72)(+M)=>C7H11(444)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.346e+00 -1.335e+00 -3.372e-01 -2.584e-02 / CHEB/ 3.281e+00 9.637e-01 7.194e-02 -4.295e-02 / CHEB/ 7.731e-01 2.095e-01 1.382e-01 3.079e-03 / CHEB/ 1.717e-01 4.207e-02 5.069e-02 2.146e-02 / CHEB/ 3.922e-02 1.788e-02 2.612e-03 6.018e-03 / CHEB/ -3.021e-03 2.248e-03 1.490e-03 4.809e-04 /

3388.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+0.5	+1.9	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+0.0	+1.6	+2.6

H298 (kcal/mol) = -54.02
S298 (cal/mol*K) = -36.17
G298 (kcal/mol) = -43.24

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(445); C2H4(72), C7H11(445); C5H7(210)+C2H4(72)(+M)=>C7H11(445)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.346e+00 -1.335e+00 -3.372e-01 -2.584e-02 / CHEB/ 3.281e+00 9.637e-01 7.194e-02 -4.295e-02 / CHEB/ 7.731e-01 2.095e-01 1.382e-01 3.079e-03 / CHEB/ 1.717e-01 4.207e-02 5.069e-02 2.146e-02 / CHEB/ 3.922e-02 1.788e-02 2.612e-03 6.018e-03 / CHEB/ -3.021e-03 2.248e-03 1.490e-03 4.809e-04 /

3389.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+0.8	+2.1	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+0.3	+1.9	+2.8

Chebyshev(coeffs=[[4.73511,-1.347,-0.337396,-0.0254661],[3.12745,0.963004,0.0689799,-0.0425254],[0.746121,0.216006,0.137669,0.00180129],[0.170016,0.0445896,0.0517684,0.0208792],[0.0395063,0.0180253,0.00309448,0.00618953],[-0.00293323,0.00224869,0.00154486,0.000594766]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -54.02
S298 (cal/mol*K) = -36.17
G298 (kcal/mol) = -43.24

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(446); C2H4(72), C7H11(446); C5H7(210)+C2H4(72)(+M)=>C7H11(446)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.735e+00 -1.347e+00 -3.374e-01 -2.547e-02 / CHEB/ 3.127e+00 9.630e-01 6.898e-02 -4.253e-02 / CHEB/ 7.461e-01 2.160e-01 1.377e-01 1.801e-03 / CHEB/ 1.700e-01 4.459e-02 5.177e-02 2.088e-02 / CHEB/ 3.951e-02 1.803e-02 3.094e-03 6.190e-03 / CHEB/ -2.933e-03 2.249e-03 1.545e-03 5.948e-04 /

3390.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+0.4	+1.8	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-3.2	-0.1	+1.5	+2.5

Chebyshev(coeffs=[[4.25384,-1.34038,-0.337296,-0.0256798],[3.27263,0.963502,0.0706711,-0.0427701],[0.774508,0.212291,0.137961,0.0025307],[0.174774,0.0431135,0.0511559,0.021219],[0.0405742,0.0179322,0.00281339,0.00609497],[-0.00255107,0.00224889,0.00151028,0.000528943]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.82
S298 (cal/mol*K) = -36.59
G298 (kcal/mol) = -40.92

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(447); C2H4(72), C7H11(447); C5H7(210)+C2H4(72)(+M)=>C7H11(447)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.254e+00 -1.340e+00 -3.373e-01 -2.568e-02 / CHEB/ 3.273e+00 9.635e-01 7.067e-02 -4.277e-02 / CHEB/ 7.745e-01 2.123e-01 1.380e-01 2.531e-03 / CHEB/ 1.748e-01 4.311e-02 5.116e-02 2.122e-02 / CHEB/ 4.057e-02 1.793e-02 2.813e-03 6.095e-03 / CHEB/ -2.551e-03 2.249e-03 1.510e-03 5.289e-04 /

3391.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+3.5	+3.8	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+2.4	+3.3	+3.7	+4.0

Chebyshev(coeffs=[[8.69731,-0.676757,-0.358888,-0.114253],[0.984322,0.481485,0.216164,0.035604],[0.203889,0.0542868,0.0507822,0.0312129],[0.0539846,0.029155,0.0172946,0.00881926],[0.0116363,0.0138969,0.00721138,0.00232611],[-0.00668379,0.00138448,0.00227612,0.00194673]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -77.89
S298 (cal/mol*K) = -42.19
G298 (kcal/mol) = -65.32

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(448); C2H4(72), C7H11(448); C5H7(210)+C2H4(72)(+M)=>C7H11(448)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.697e+00 -6.768e-01 -3.589e-01 -1.143e-01 / CHEB/ 9.843e-01 4.815e-01 2.162e-01 3.560e-02 / CHEB/ 2.039e-01 5.429e-02 5.078e-02 3.121e-02 / CHEB/ 5.398e-02 2.915e-02 1.729e-02 8.819e-03 / CHEB/ 1.164e-02 1.390e-02 7.211e-03 2.326e-03 / CHEB/ -6.684e-03 1.384e-03 2.276e-03 1.947e-03 /

3392.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.1	+1.5	+2.3	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+1.0	+2.1	+2.7

Chebyshev(coeffs=[[6.12265,-1.41942,-0.339747,-0.0229489],[1.9486,0.944494,0.050623,-0.0396212],[0.476045,0.255162,0.132185,-0.00576891],[0.12909,0.0660722,0.0571264,0.0161337],[0.0353619,0.0217524,0.00674133,0.00641612],[-0.00375656,0.00250757,0.00256894,0.00127716]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.86
S298 (cal/mol*K) = -42.32
G298 (kcal/mol) = -38.25

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(449); C2H4(72), C7H11(449); C5H7(210)+C2H4(72)(+M)=>C7H11(449)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.123e+00 -1.419e+00 -3.397e-01 -2.295e-02 / CHEB/ 1.949e+00 9.445e-01 5.062e-02 -3.962e-02 / CHEB/ 4.760e-01 2.552e-01 1.322e-01 -5.769e-03 / CHEB/ 1.291e-01 6.607e-02 5.713e-02 1.613e-02 / CHEB/ 3.536e-02 2.175e-02 6.741e-03 6.416e-03 / CHEB/ -3.757e-03 2.508e-03 2.569e-03 1.277e-03 /

3393.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-3.4	+0.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-3.6	+0.5	+2.7

Chebyshev(coeffs=[[-6.09512,-0.604054,-0.293174,-0.0752802],[13.7485,0.481882,0.189472,0.013032],[0.79221,0.0467373,0.0554555,0.0362785],[0.229885,0.0265839,0.0162849,0.0097553],[0.0522094,0.0177344,0.00681435,0.00019126],[-3.41688e-05,-0.00171183,0.000638677,0.00107113]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.53
S298 (cal/mol*K) = 3.26
G298 (kcal/mol) = 27.56

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(450); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(450)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.095e+00 -6.041e-01 -2.932e-01 -7.528e-02 / CHEB/ 1.375e+01 4.819e-01 1.895e-01 1.303e-02 / CHEB/ 7.922e-01 4.674e-02 5.546e-02 3.628e-02 / CHEB/ 2.299e-01 2.658e-02 1.628e-02 9.755e-03 / CHEB/ 5.221e-02 1.773e-02 6.814e-03 1.913e-04 / CHEB/ -3.417e-05 -1.712e-03 6.387e-04 1.071e-03 /

3394.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+0.4	+0.9	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-1.8	-0.3	+0.6	+1.1

Chebyshev(coeffs=[[5.21253,-1.46503,-0.34226,-0.0212042],[1.41556,0.921074,0.039006,-0.0375415],[0.309048,0.275465,0.126669,-0.00997499],[0.0975575,0.0832948,0.0587071,0.0124276],[0.0333159,0.0274855,0.00903417,0.00564328],[-0.00290981,0.00369444,0.00376172,0.00140878]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.97
S298 (cal/mol*K) = -45.71
G298 (kcal/mol) = -42.35

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(451); C2H4(72), C7H11(451); C5H7(210)+C2H4(72)(+M)=>C7H11(451)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.213e+00 -1.465e+00 -3.423e-01 -2.120e-02 / CHEB/ 1.416e+00 9.211e-01 3.901e-02 -3.754e-02 / CHEB/ 3.090e-01 2.755e-01 1.267e-01 -9.975e-03 / CHEB/ 9.756e-02 8.329e-02 5.871e-02 1.243e-02 / CHEB/ 3.332e-02 2.749e-02 9.034e-03 5.643e-03 / CHEB/ -2.910e-03 3.694e-03 3.762e-03 1.409e-03 /

3395.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+3.7	+4.6	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+3.1	+4.3	+5.0

Chebyshev(coeffs=[[8.40713,-1.37208,-0.425687,-0.0995881],[1.83531,0.846283,0.150106,0.0476079],[0.536003,0.294067,0.110599,-0.0143245],[0.162552,0.0950653,0.0659012,0.00905163],[0.0349856,0.0101048,0.0102343,0.0123112],[-0.00288235,-0.00424191,-0.000653357,0.00231884]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.83
S298 (cal/mol*K) = -20.98
G298 (kcal/mol) = -33.57

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(79); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.407e+00 -1.372e+00 -4.257e-01 -9.959e-02 / CHEB/ 1.835e+00 8.463e-01 1.501e-01 4.761e-02 / CHEB/ 5.360e-01 2.941e-01 1.106e-01 -1.432e-02 / CHEB/ 1.626e-01 9.507e-02 6.590e-02 9.052e-03 / CHEB/ 3.499e-02 1.010e-02 1.023e-02 1.231e-02 / CHEB/ -2.882e-03 -4.242e-03 -6.534e-04 2.319e-03 /

3396.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+5.0	+5.5	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+3.0	+4.3	+5.2	+5.8

Chebyshev(coeffs=[[9.91335,-1.38247,-0.429681,-0.0928994],[1.31958,0.818688,0.157596,0.0515232],[0.37507,0.297767,0.0979393,-0.0212095],[0.123423,0.102674,0.0590701,0.00095425],[0.0264445,0.0146142,0.0127701,0.012206],[-0.00313338,-0.00115746,0.00186649,0.00346562]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.17
S298 (cal/mol*K) = -12.00
G298 (kcal/mol) = -45.59

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(94); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>C6H8(94)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.913e+00 -1.382e+00 -4.297e-01 -9.290e-02 / CHEB/ 1.320e+00 8.187e-01 1.576e-01 5.152e-02 / CHEB/ 3.751e-01 2.978e-01 9.794e-02 -2.121e-02 / CHEB/ 1.234e-01 1.027e-01 5.907e-02 9.543e-04 / CHEB/ 2.644e-02 1.461e-02 1.277e-02 1.221e-02 / CHEB/ -3.133e-03 -1.157e-03 1.866e-03 3.466e-03 /

3397.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+3.8	+3.3	+2.8
log₁₀(k(10 bar)/[mole,m,s])	+4.1	+4.1	+3.9	+3.7

Chebyshev(coeffs=[[9.10914,0.699438,-0.650867,-0.188492],[-0.0930209,0.54654,0.260785,0.0606009],[-0.182242,0.309516,0.147983,0.039479],[-0.107282,0.208228,0.09164,0.0178899],[-0.0535821,0.0229825,0.0136192,0.00646312],[-0.0282942,-0.039189,-0.0152589,-0.000246571]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.17
S298 (cal/mol*K) = -39.53
G298 (kcal/mol) = -56.39

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(452); C2H4(72), C7H11(452); C5H7(210)+C2H4(72)(+M)=>C7H11(452)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.109e+00 6.994e-01 -6.509e-01 -1.885e-01 / CHEB/ -9.302e-02 5.465e-01 2.608e-01 6.060e-02 / CHEB/ -1.822e-01 3.095e-01 1.480e-01 3.948e-02 / CHEB/ -1.073e-01 2.082e-01 9.164e-02 1.789e-02 / CHEB/ -5.358e-02 2.298e-02 1.362e-02 6.463e-03 / CHEB/ -2.829e-02 -3.919e-02 -1.526e-02 -2.466e-04 /

3398.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.6	-7.1	-2.5	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-7.2	-2.6	-0.1

Chebyshev(coeffs=[[-12.3665,-0.399586,-0.22517,-0.0821105],[17.5664,0.299636,0.149755,0.0371004],[0.517675,0.0302042,0.0312573,0.0236633],[0.175029,0.0291354,0.0167779,0.00699012],[0.0406763,0.0162927,0.00838387,0.0022059],[-0.00262402,-0.00199219,-0.000140147,0.000828047]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.24
S298 (cal/mol*K) = -0.30
G298 (kcal/mol) = 43.33

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H5(99); C2H4(72), C3H6(453); C5H7(210)+C2H4(72)(+M)=>C4H5(99)+C3H6(453)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.237e+01 -3.996e-01 -2.252e-01 -8.211e-02 / CHEB/ 1.757e+01 2.996e-01 1.498e-01 3.710e-02 / CHEB/ 5.177e-01 3.020e-02 3.126e-02 2.366e-02 / CHEB/ 1.750e-01 2.914e-02 1.678e-02 6.990e-03 / CHEB/ 4.068e-02 1.629e-02 8.384e-03 2.206e-03 / CHEB/ -2.624e-03 -1.992e-03 -1.401e-04 8.280e-04 /

3417.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+3.6	+5.0	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+3.0	+4.6	+5.5

Chebyshev(coeffs=[[6.90013,-1.65362,-0.203721,-0.0233057],[3.92392,1.26857,-0.13766,-0.0429722],[0.57072,0.0497166,0.129643,-0.00333638],[0.136692,0.0709564,0.0709326,0.00745456],[0.0119504,0.070275,0.0218215,0.0078195],[-0.0205755,0.022363,0.00379642,0.00399431]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.75
S298 (cal/mol*K) = 16.79
G298 (kcal/mol) = -11.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(454); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(454)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.900e+00 -1.654e+00 -2.037e-01 -2.331e-02 / CHEB/ 3.924e+00 1.269e+00 -1.377e-01 -4.297e-02 / CHEB/ 5.707e-01 4.972e-02 1.296e-01 -3.336e-03 / CHEB/ 1.367e-01 7.096e-02 7.093e-02 7.455e-03 / CHEB/ 1.195e-02 7.028e-02 2.182e-02 7.820e-03 / CHEB/ -2.058e-02 2.236e-02 3.796e-03 3.994e-03 /

3418.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+3.7	+4.5	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+2.8	+4.1	+4.9

Chebyshev(coeffs=[[7.57277,-2.83141,-0.207237,0.0166084],[2.90724,2.28137,-0.194665,-0.0800267],[0.150259,0.318897,0.161438,-0.0103949],[0.086068,0.0309095,0.0958884,0.00924858],[0.083096,-0.00512921,0.0206243,0.00574739],[0.0353487,-0.00624823,-0.00509204,0.00100477]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.65
S298 (cal/mol*K) = -5.12
G298 (kcal/mol) = -50.12

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(455); H(25), C7H11(455); C7H10(1)+H(25)(+M)=>C7H11(455)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.573e+00 -2.831e+00 -2.072e-01 1.661e-02 / CHEB/ 2.907e+00 2.281e+00 -1.947e-01 -8.003e-02 / CHEB/ 1.503e-01 3.189e-01 1.614e-01 -1.039e-02 / CHEB/ 8.607e-02 3.091e-02 9.589e-02 9.249e-03 / CHEB/ 8.310e-02 -5.129e-03 2.062e-02 5.747e-03 / CHEB/ 3.535e-02 -6.248e-03 -5.092e-03 1.005e-03 /

3419.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+3.7	+4.1	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+3.3	+4.2	+4.6

Chebyshev(coeffs=[[7.3548,-1.75035,-0.47457,-0.0578566],[2.4624,2.59103,-0.154177,-0.0632765],[-0.0903436,0.343876,0.136016,0.0118675],[0.00303165,0.0702449,0.102975,0.00439899],[0.0172219,0.045953,0.0505823,0.00428794],[-0.0387706,0.0329881,0.0138716,0.00360718]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.60
S298 (cal/mol*K) = 3.01
G298 (kcal/mol) = -37.49

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(456); H(25), C7H11(456); C7H10(1)+H(25)(+M)=>C7H11(456)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.355e+00 -1.750e+00 -4.746e-01 -5.786e-02 / CHEB/ 2.462e+00 2.591e+00 -1.542e-01 -6.328e-02 / CHEB/ -9.034e-02 3.439e-01 1.360e-01 1.187e-02 / CHEB/ 3.032e-03 7.024e-02 1.030e-01 4.399e-03 / CHEB/ 1.722e-02 4.595e-02 5.058e-02 4.288e-03 / CHEB/ -3.877e-02 3.299e-02 1.387e-02 3.607e-03 /

3420.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+1.7	+3.6	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+1.2	+3.3	+4.5

Chebyshev(coeffs=[[3.45124,-1.24976,-0.301153,-0.0411906],[6.33463,0.89514,0.0209117,-0.0270299],[0.603893,0.042191,0.11091,-0.000237372],[0.105692,0.0954788,0.0436533,0.0144741],[0.00780266,0.0675365,0.0220226,0.00511396],[-0.0100167,0.011375,0.0077413,0.00175208]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.05
S298 (cal/mol*K) = 0.38
G298 (kcal/mol) = -26.16

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(457); H(25), C7H11(457); C7H10(1)+H(25)(+M)=>C7H11(457)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.451e+00 -1.250e+00 -3.012e-01 -4.119e-02 / CHEB/ 6.335e+00 8.951e-01 2.091e-02 -2.703e-02 / CHEB/ 6.039e-01 4.219e-02 1.109e-01 -2.374e-04 / CHEB/ 1.057e-01 9.548e-02 4.365e-02 1.447e-02 / CHEB/ 7.803e-03 6.754e-02 2.202e-02 5.114e-03 / CHEB/ -1.002e-02 1.137e-02 7.741e-03 1.752e-03 /

3421.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+3.3	+4.0	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+2.5	+3.6	+4.2

Chebyshev(coeffs=[[7.14503,-1.86224,-0.1661,-0.0210154],[2.75905,1.33297,-0.215955,-0.0448891],[0.249853,0.0909304,0.103906,-0.00743752],[0.0769436,0.0793353,0.0819634,-0.0012802],[0.00783064,0.0651157,0.0315467,0.00589777],[-0.0251392,0.0249181,0.00516978,0.00538195]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.60
S298 (cal/mol*K) = 3.47
G298 (kcal/mol) = -37.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(458); H(25), C7H11(458); C7H10(1)+H(25)(+M)=>C7H11(458)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.145e+00 -1.862e+00 -1.661e-01 -2.102e-02 / CHEB/ 2.759e+00 1.333e+00 -2.160e-01 -4.489e-02 / CHEB/ 2.499e-01 9.093e-02 1.039e-01 -7.438e-03 / CHEB/ 7.694e-02 7.934e-02 8.196e-02 -1.280e-03 / CHEB/ 7.831e-03 6.512e-02 3.155e-02 5.898e-03 / CHEB/ -2.514e-02 2.492e-02 5.170e-03 5.382e-03 /

3422.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+3.7	+4.2	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+3.7	+4.6	+4.8

Chebyshev(coeffs=[[7.50277,-0.56211,-0.361801,-0.0545864],[2.34811,1.79599,-0.12877,-0.0588016],[0.176071,0.109859,0.104143,0.0197833],[-6.59576e-05,0.091376,0.0830739,-0.000772849],[-0.0846007,0.0855674,0.0483707,0.00156183],[-0.0929952,0.0348548,0.0157644,0.0064034]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.05
S298 (cal/mol*K) = 0.38
G298 (kcal/mol) = -26.16

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(459); H(25), C7H11(459); C7H10(1)+H(25)(+M)=>C7H11(459)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.503e+00 -5.621e-01 -3.618e-01 -5.459e-02 / CHEB/ 2.348e+00 1.796e+00 -1.288e-01 -5.880e-02 / CHEB/ 1.761e-01 1.099e-01 1.041e-01 1.978e-02 / CHEB/ -6.596e-05 9.138e-02 8.307e-02 -7.728e-04 / CHEB/ -8.460e-02 8.557e-02 4.837e-02 1.562e-03 / CHEB/ -9.300e-02 3.485e-02 1.576e-02 6.403e-03 /

3423.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+4.2	+4.1	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+4.0	+4.3	+4.3

Chebyshev(coeffs=[[8.77042,-1.30622,-0.260933,-0.00876883],[1.13176,2.11626,-0.290399,-0.0699852],[-0.362096,0.33382,0.100318,-0.00228236],[-0.0836267,0.0840475,0.0873665,0.00473102],[-0.0237803,0.0306624,0.0334953,0.00207372],[-0.0504859,0.0181711,0.00768024,-0.00133222]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.30
S298 (cal/mol*K) = -5.24
G298 (kcal/mol) = -48.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(460); H(25), C7H11(460); C7H10(1)+H(25)(+M)=>C7H11(460)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.770e+00 -1.306e+00 -2.609e-01 -8.769e-03 / CHEB/ 1.132e+00 2.116e+00 -2.904e-01 -6.999e-02 / CHEB/ -3.621e-01 3.338e-01 1.003e-01 -2.282e-03 / CHEB/ -8.363e-02 8.405e-02 8.737e-02 4.731e-03 / CHEB/ -2.378e-02 3.066e-02 3.350e-02 2.074e-03 / CHEB/ -5.049e-02 1.817e-02 7.680e-03 -1.332e-03 /

3424.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.7	+0.6	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-3.1	+0.5	+2.4

Chebyshev(coeffs=[[-5.18636,-0.529014,-0.274039,-0.0882883],[12.9967,0.22271,0.107266,0.0315832],[0.386473,0.0912134,0.0428404,0.00940372],[0.136706,0.0964793,0.0435848,0.00696668],[0.0504883,0.0458077,0.0230164,0.00523971],[0.0174231,-0.000410112,0.00283039,0.00279963]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.62
S298 (cal/mol*K) = 22.62
G298 (kcal/mol) = 29.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(461); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(461)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.186e+00 -5.290e-01 -2.740e-01 -8.829e-02 / CHEB/ 1.300e+01 2.227e-01 1.073e-01 3.158e-02 / CHEB/ 3.865e-01 9.121e-02 4.284e-02 9.404e-03 / CHEB/ 1.367e-01 9.648e-02 4.358e-02 6.967e-03 / CHEB/ 5.049e-02 4.581e-02 2.302e-02 5.240e-03 / CHEB/ 1.742e-02 -4.101e-04 2.830e-03 2.800e-03 /

3425.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-6.5	-1.3	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-6.7	-1.4	+1.4

Chebyshev(coeffs=[[-14.1068,-0.235839,-0.135514,-0.0534498],[21.0691,0.0434067,0.0226903,0.00808982],[0.19221,0.0606461,0.0285941,0.00559935],[0.108425,0.0599667,0.0323114,0.0103215],[0.0574029,0.0240957,0.0157649,0.00718498],[0.0247222,-0.0029339,0.000487352,0.00186125]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.50
S298 (cal/mol*K) = 34.14
G298 (kcal/mol) = 54.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(462); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(462)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.411e+01 -2.358e-01 -1.355e-01 -5.345e-02 / CHEB/ 2.107e+01 4.341e-02 2.269e-02 8.090e-03 / CHEB/ 1.922e-01 6.065e-02 2.859e-02 5.599e-03 / CHEB/ 1.084e-01 5.997e-02 3.231e-02 1.032e-02 / CHEB/ 5.740e-02 2.410e-02 1.576e-02 7.185e-03 / CHEB/ 2.472e-02 -2.934e-03 4.874e-04 1.861e-03 /

3426.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-6.5	-1.4	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-21.4	-6.7	-1.5	+1.3

Chebyshev(coeffs=[[-14.0659,-0.229448,-0.132181,-0.0524792],[20.9887,0.0415026,0.022249,0.00850938],[0.16151,0.0593591,0.027706,0.00513481],[0.0996886,0.0593774,0.0319267,0.0101153],[0.0543173,0.0235778,0.015539,0.00717253],[0.0235182,-0.00333269,0.000278538,0.00181167]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.50
S298 (cal/mol*K) = 34.60
G298 (kcal/mol) = 54.19

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(463); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(463)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.407e+01 -2.294e-01 -1.322e-01 -5.248e-02 / CHEB/ 2.099e+01 4.150e-02 2.225e-02 8.509e-03 / CHEB/ 1.615e-01 5.936e-02 2.771e-02 5.135e-03 / CHEB/ 9.969e-02 5.938e-02 3.193e-02 1.012e-02 / CHEB/ 5.432e-02 2.358e-02 1.554e-02 7.173e-03 / CHEB/ 2.352e-02 -3.333e-03 2.785e-04 1.812e-03 /

3427.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-5.2	-0.8	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-5.4	-1.0	+1.4

Chebyshev(coeffs=[[-10.4547,-0.373208,-0.204876,-0.0740634],[17.394,0.144674,0.0729741,0.0228332],[0.277992,0.0614791,0.0312978,0.00912564],[0.1165,0.0767586,0.0374503,0.00838016],[0.0469022,0.0352351,0.019659,0.00606607],[0.0211177,-0.00219114,0.00141688,0.002393]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.80
S298 (cal/mol*K) = 25.89
G298 (kcal/mol) = 43.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(78); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.045e+01 -3.732e-01 -2.049e-01 -7.406e-02 / CHEB/ 1.739e+01 1.447e-01 7.297e-02 2.283e-02 / CHEB/ 2.780e-01 6.148e-02 3.130e-02 9.126e-03 / CHEB/ 1.165e-01 7.676e-02 3.745e-02 8.380e-03 / CHEB/ 4.690e-02 3.524e-02 1.966e-02 6.066e-03 / CHEB/ 2.112e-02 -2.191e-03 1.417e-03 2.393e-03 /

3428.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.8	-9.6	-3.6	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-26.9	-9.7	-3.6	-0.4

Chebyshev(coeffs=[[-19.3063,-0.174468,-0.102639,-0.0418958],[24.4293,0.0259133,0.0131868,0.0037888],[0.226351,0.0468117,0.0221688,0.00419009],[0.116297,0.0437606,0.0248038,0.00912577],[0.058252,0.0165474,0.0120731,0.00669504],[0.0238054,-0.00234508,0.000384572,0.00160262]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.05
S298 (cal/mol*K) = 31.51
G298 (kcal/mol) = 65.66

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(464); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(464)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.931e+01 -1.745e-01 -1.026e-01 -4.190e-02 / CHEB/ 2.443e+01 2.591e-02 1.319e-02 3.789e-03 / CHEB/ 2.264e-01 4.681e-02 2.217e-02 4.190e-03 / CHEB/ 1.163e-01 4.376e-02 2.480e-02 9.126e-03 / CHEB/ 5.825e-02 1.655e-02 1.207e-02 6.695e-03 / CHEB/ 2.381e-02 -2.345e-03 3.846e-04 1.603e-03 /

3429.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.1	-8.7	-2.7	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-26.2	-8.9	-2.8	+0.3

Chebyshev(coeffs=[[-18.6114,-0.226121,-0.136517,-0.0588453],[24.5524,0.0534096,0.0307219,0.0120676],[0.205078,0.0411974,0.0191273,0.0032821],[0.0953875,0.0500185,0.0286479,0.0108172],[0.046406,0.0242099,0.0170008,0.00907191],[0.0139769,0.00126195,0.00270033,0.00271451]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.05
S298 (cal/mol*K) = 31.51
G298 (kcal/mol) = 65.66

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(465); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(465)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.861e+01 -2.261e-01 -1.365e-01 -5.885e-02 / CHEB/ 2.455e+01 5.341e-02 3.072e-02 1.207e-02 / CHEB/ 2.051e-01 4.120e-02 1.913e-02 3.282e-03 / CHEB/ 9.539e-02 5.002e-02 2.865e-02 1.082e-02 / CHEB/ 4.641e-02 2.421e-02 1.700e-02 9.072e-03 / CHEB/ 1.398e-02 1.262e-03 2.700e-03 2.715e-03 /

3430.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.6	-5.0	-0.3	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-5.2	-0.4	+2.1

Chebyshev(coeffs=[[-11.5197,-0.266901,-0.152207,-0.0598412],[19.2994,0.0554806,0.0304305,0.012841],[0.16218,0.0657373,0.0306618,0.00584022],[0.0989859,0.0684249,0.0356456,0.0101775],[0.0533168,0.0282078,0.0174637,0.00707649],[0.0232202,-0.00341712,0.000426794,0.00193845]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.43
S298 (cal/mol*K) = 33.28
G298 (kcal/mol) = 40.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(318); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(318)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.152e+01 -2.669e-01 -1.522e-01 -5.984e-02 / CHEB/ 1.930e+01 5.548e-02 3.043e-02 1.284e-02 / CHEB/ 1.622e-01 6.574e-02 3.066e-02 5.840e-03 / CHEB/ 9.899e-02 6.842e-02 3.565e-02 1.018e-02 / CHEB/ 5.332e-02 2.821e-02 1.746e-02 7.076e-03 / CHEB/ 2.322e-02 -3.417e-03 4.268e-04 1.938e-03 /

3431.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-10.5	-4.4	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-10.6	-4.4	-1.1

Chebyshev(coeffs=[[-20.5297,-0.167327,-0.0987675,-0.0405481],[24.9077,0.0267216,0.0136698,0.00391259],[0.277508,0.0450619,0.0214711,0.00416098],[0.137571,0.0410705,0.0235075,0.00886431],[0.0700496,0.0150388,0.0112547,0.00647132],[0.026864,-0.00244701,0.00025002,0.00150692]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.25
S298 (cal/mol*K) = 28.17
G298 (kcal/mol) = 67.86

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(466); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(466)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.053e+01 -1.673e-01 -9.877e-02 -4.055e-02 / CHEB/ 2.491e+01 2.672e-02 1.367e-02 3.913e-03 / CHEB/ 2.775e-01 4.506e-02 2.147e-02 4.161e-03 / CHEB/ 1.376e-01 4.107e-02 2.351e-02 8.864e-03 / CHEB/ 7.005e-02 1.504e-02 1.125e-02 6.471e-03 / CHEB/ 2.686e-02 -2.447e-03 2.500e-04 1.507e-03 /

3451.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-2.8	+0.5	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-3.0	+0.5	+1.7

Chebyshev(coeffs=[[-8.29889,-0.851142,-0.299633,-0.0262063],[16.8143,0.688961,0.185804,-0.0207128],[-0.315681,0.168944,0.0795851,0.0127229],[-0.266427,-0.0236913,0.0106765,0.0120954],[-0.153722,-0.0413937,-0.0121182,0.00366933],[-0.0647692,-0.0234631,-0.0112534,-0.00136978]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.70
S298 (cal/mol*K) = 36.29
G298 (kcal/mol) = 44.89

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(467); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C5H7(467)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.299e+00 -8.511e-01 -2.996e-01 -2.621e-02 / CHEB/ 1.681e+01 6.890e-01 1.858e-01 -2.071e-02 / CHEB/ -3.157e-01 1.689e-01 7.959e-02 1.272e-02 / CHEB/ -2.664e-01 -2.369e-02 1.068e-02 1.210e-02 / CHEB/ -1.537e-01 -4.139e-02 -1.212e-02 3.669e-03 / CHEB/ -6.477e-02 -2.346e-02 -1.125e-02 -1.370e-03 /

3452.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-1.2	+1.1	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-1.8	+0.9	+1.8

Chebyshev(coeffs=[[-3.02842,-1.54462,-0.258156,-0.0227208],[11.1027,1.10508,0.0567858,-0.00554469],[0.17296,0.332655,0.0620911,-0.0197876],[-0.200872,0.0179768,0.0407604,-0.00373872],[-0.169861,-0.0466867,0.014394,0.00925763],[-0.0811471,-0.0366775,-0.00250163,0.00705945]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.89
S298 (cal/mol*K) = 13.37
G298 (kcal/mol) = 27.91

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(468); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(468)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.028e+00 -1.545e+00 -2.582e-01 -2.272e-02 / CHEB/ 1.110e+01 1.105e+00 5.679e-02 -5.545e-03 / CHEB/ 1.730e-01 3.327e-01 6.209e-02 -1.979e-02 / CHEB/ -2.009e-01 1.798e-02 4.076e-02 -3.739e-03 / CHEB/ -1.699e-01 -4.669e-02 1.439e-02 9.258e-03 / CHEB/ -8.115e-02 -3.668e-02 -2.502e-03 7.059e-03 /

3453.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-5.2	-1.7	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-18.1	-5.4	-1.7	-0.3

Chebyshev(coeffs=[[-10.6961,-0.910554,-0.301583,-0.0204592],[16.9392,0.729313,0.177727,-0.0271658],[-0.126336,0.18348,0.0821902,0.0102078],[-0.216006,-0.0213323,0.0143812,0.0124691],[-0.140341,-0.0430198,-0.0107688,0.004887],[-0.0608184,-0.0252703,-0.0114109,-0.000704983]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.49
S298 (cal/mol*K) = 20.19
G298 (kcal/mol) = 48.47

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(260); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(260)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.070e+01 -9.106e-01 -3.016e-01 -2.046e-02 / CHEB/ 1.694e+01 7.293e-01 1.777e-01 -2.717e-02 / CHEB/ -1.263e-01 1.835e-01 8.219e-02 1.021e-02 / CHEB/ -2.160e-01 -2.133e-02 1.438e-02 1.247e-02 / CHEB/ -1.403e-01 -4.302e-02 -1.077e-02 4.887e-03 / CHEB/ -6.082e-02 -2.527e-02 -1.141e-02 -7.050e-04 /

3454.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.1	-6.3	-2.6	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-6.5	-2.6	-1.1

Chebyshev(coeffs=[[-12.4189,-0.837494,-0.298905,-0.0275852],[17.8724,0.679621,0.187417,-0.0191012],[-0.119785,0.165557,0.0788767,0.0132664],[-0.207633,-0.0241937,0.00982686,0.0119638],[-0.133454,-0.0409893,-0.0123905,0.00337998],[-0.0574743,-0.0230311,-0.0111935,-0.00151356]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.49
S298 (cal/mol*K) = 18.87
G298 (kcal/mol) = 51.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(469); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(469)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.242e+01 -8.375e-01 -2.989e-01 -2.759e-02 / CHEB/ 1.787e+01 6.796e-01 1.874e-01 -1.910e-02 / CHEB/ -1.198e-01 1.656e-01 7.888e-02 1.327e-02 / CHEB/ -2.076e-01 -2.419e-02 9.827e-03 1.196e-02 / CHEB/ -1.335e-01 -4.099e-02 -1.239e-02 3.380e-03 / CHEB/ -5.747e-02 -2.303e-02 -1.119e-02 -1.514e-03 /

3455.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.0	-5.8	-1.8	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-19.7	-6.0	-1.9	-0.2

Chebyshev(coeffs=[[-12.2814,-0.78666,-0.295273,-0.0328543],[18.5405,0.64424,0.192539,-0.0127148],[-0.115483,0.153145,0.0758875,0.0151143],[-0.201836,-0.0259436,0.00671822,0.0113328],[-0.128735,-0.0393791,-0.0132666,0.0022879],[-0.0552084,-0.0214023,-0.0108962,-0.00200548]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.69
S298 (cal/mol*K) = 18.45
G298 (kcal/mol) = 54.19

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(470); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(470)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.228e+01 -7.867e-01 -2.953e-01 -3.285e-02 / CHEB/ 1.854e+01 6.442e-01 1.925e-01 -1.271e-02 / CHEB/ -1.155e-01 1.531e-01 7.589e-02 1.511e-02 / CHEB/ -2.018e-01 -2.594e-02 6.718e-03 1.133e-02 / CHEB/ -1.287e-01 -3.938e-02 -1.327e-02 2.288e-03 / CHEB/ -5.521e-02 -2.140e-02 -1.090e-02 -2.005e-03 /

3456.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+1.0	+2.7	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-6.6	+0.3	+2.4	+2.9

Chebyshev(coeffs=[[1.38604,-1.90597,-0.265966,-0.042603],[7.69436,1.26953,0.0591723,0.0162775],[0.339047,0.391778,0.0204835,-0.00826253],[-0.234416,0.0501917,0.0269114,-0.0168319],[-0.197781,-0.0314519,0.0267933,-0.000957],[-0.0933346,-0.0343218,0.00986729,0.00765762]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.48
S298 (cal/mol*K) = -0.02
G298 (kcal/mol) = 11.49

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(471); H(25), C7H10(471); C7H9(5)+H(25)(+M)=>C7H10(471)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.386e+00 -1.906e+00 -2.660e-01 -4.260e-02 / CHEB/ 7.694e+00 1.270e+00 5.917e-02 1.628e-02 / CHEB/ 3.390e-01 3.918e-01 2.048e-02 -8.263e-03 / CHEB/ -2.344e-01 5.019e-02 2.691e-02 -1.683e-02 / CHEB/ -1.978e-01 -3.145e-02 2.679e-02 -9.570e-04 / CHEB/ -9.333e-02 -3.432e-02 9.867e-03 7.658e-03 /

3457.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	+0.4	+2.1	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-0.3	+1.7	+2.3

Chebyshev(coeffs=[[1.00209,-1.96283,-0.270097,-0.0401101],[7.34569,1.31915,0.0675974,0.0108364],[0.445911,0.39524,0.0171399,-0.002917],[-0.225724,0.0531205,0.0235867,-0.0174961],[-0.1894,-0.0298233,0.0277126,-0.00270314],[-0.0889826,-0.0348251,0.0114973,0.0074186]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.62
S298 (cal/mol*K) = -8.95
G298 (kcal/mol) = 1.05

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(472); H(25), C7H10(472); C7H9(5)+H(25)(+M)=>C7H10(472)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.002e+00 -1.963e+00 -2.701e-01 -4.011e-02 / CHEB/ 7.346e+00 1.319e+00 6.760e-02 1.084e-02 / CHEB/ 4.459e-01 3.952e-01 1.714e-02 -2.917e-03 / CHEB/ -2.257e-01 5.312e-02 2.359e-02 -1.750e-02 / CHEB/ -1.894e-01 -2.982e-02 2.771e-02 -2.703e-03 / CHEB/ -8.898e-02 -3.483e-02 1.150e-02 7.419e-03 /

3458.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+1.1	+2.1	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-4.7	+0.2	+1.6	+1.8

Chebyshev(coeffs=[[3.46511,-2.32366,-0.276323,-0.0145089],[4.54727,1.44244,0.0481635,-0.0301264],[0.496785,0.390807,0.0210643,0.0178088],[-0.275358,0.0776501,-0.00750457,-0.00898235],[-0.221258,0.00141791,0.0168307,-0.0125857],[-0.104288,-0.0194844,0.0208717,0.000820002]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.27
S298 (cal/mol*K) = -7.93
G298 (kcal/mol) = -1.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(473); H(25), C7H10(473); C7H9(5)+H(25)(+M)=>C7H10(473)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.465e+00 -2.324e+00 -2.763e-01 -1.451e-02 / CHEB/ 4.547e+00 1.442e+00 4.816e-02 -3.013e-02 / CHEB/ 4.968e-01 3.908e-01 2.106e-02 1.781e-02 / CHEB/ -2.754e-01 7.765e-02 -7.505e-03 -8.982e-03 / CHEB/ -2.213e-01 1.418e-03 1.683e-02 -1.259e-02 / CHEB/ -1.043e-01 -1.948e-02 2.087e-02 8.200e-04 /

3459.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-0.8	+1.7	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-1.4	+1.5	+3.0

Chebyshev(coeffs=[[-0.757542,-1.77036,-0.244489,-0.0412153],[8.95854,1.28265,0.0534513,0.00612346],[0.70303,0.388851,0.0235616,-0.0213588],[0.0528136,0.0241109,0.029591,-0.014839],[-0.0211437,-0.0592026,0.0248192,0.00612394],[0.00192981,-0.0519296,0.00616935,0.0113217]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.33
S298 (cal/mol*K) = 0.27
G298 (kcal/mol) = 18.25

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(474); H(25), C7H10(474); C7H9(5)+H(25)(+M)=>C7H10(474)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.575e-01 -1.770e+00 -2.445e-01 -4.122e-02 / CHEB/ 8.959e+00 1.283e+00 5.345e-02 6.123e-03 / CHEB/ 7.030e-01 3.889e-01 2.356e-02 -2.136e-02 / CHEB/ 5.281e-02 2.411e-02 2.959e-02 -1.484e-02 / CHEB/ -2.114e-02 -5.920e-02 2.482e-02 6.124e-03 / CHEB/ 1.930e-03 -5.193e-02 6.169e-03 1.132e-02 /

3460.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-4.8	-2.4	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-5.3	-2.6	-1.6

Chebyshev(coeffs=[[-6.69477,-1.4786,-0.261156,-0.0176783],[11.2351,1.08689,0.0669368,-0.0129077],[0.244954,0.315783,0.0699663,-0.0185741],[-0.155322,0.0089814,0.0407643,-0.000219133],[-0.240306,-0.0482404,0.0106579,0.0105547],[-0.025634,-0.0380288,-0.00488663,0.00623975]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.98
S298 (cal/mol*K) = -3.45
G298 (kcal/mol) = 25.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(475); H(25), C7H10(475); C7H9(5)+H(25)(+M)=>C7H10(475)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.695e+00 -1.479e+00 -2.612e-01 -1.768e-02 / CHEB/ 1.124e+01 1.087e+00 6.694e-02 -1.291e-02 / CHEB/ 2.450e-01 3.158e-01 6.997e-02 -1.857e-02 / CHEB/ -1.553e-01 8.981e-03 4.076e-02 -2.191e-04 / CHEB/ -2.403e-01 -4.824e-02 1.066e-02 1.055e-02 / CHEB/ -2.563e-02 -3.803e-02 -4.887e-03 6.240e-03 /

3461.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-3.6	-1.3	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-4.2	-1.6	-0.8

Chebyshev(coeffs=[[-5.26835,-1.55785,-0.257372,-0.0239242],[10.8293,1.11157,0.0552869,-0.0038326],[0.145578,0.335552,0.0607161,-0.0199362],[-0.211117,0.0190689,0.0407721,-0.00439379],[-0.173973,-0.0464316,0.0150024,0.0090583],[-0.0827567,-0.0367287,-0.00212539,0.00718771]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.33
S298 (cal/mol*K) = -2.43
G298 (kcal/mol) = 22.06

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(476); H(25), C7H10(476); C7H9(5)+H(25)(+M)=>C7H10(476)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.268e+00 -1.558e+00 -2.574e-01 -2.392e-02 / CHEB/ 1.083e+01 1.112e+00 5.529e-02 -3.833e-03 / CHEB/ 1.456e-01 3.356e-01 6.072e-02 -1.994e-02 / CHEB/ -2.111e-01 1.907e-02 4.077e-02 -4.394e-03 / CHEB/ -1.740e-01 -4.643e-02 1.500e-02 9.058e-03 / CHEB/ -8.276e-02 -3.673e-02 -2.125e-03 7.188e-03 /

3462.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-4.3	-1.9	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-4.8	-2.1	-1.3

Chebyshev(coeffs=[[-6.25727,-1.51291,-0.258918,-0.0202423],[11.3551,1.09777,0.0619591,-0.00891454],[0.11397,0.32678,0.0661887,-0.0192119],[-0.240526,0.0151643,0.0410418,-0.00204514],[-0.169522,-0.0481854,0.0127784,0.00976877],[-0.0646315,-0.0375917,-0.00390292,0.0067864]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.18
S298 (cal/mol*K) = -3.87
G298 (kcal/mol) = 27.34

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(477); H(25), C7H10(477); C7H9(5)+H(25)(+M)=>C7H10(477)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.257e+00 -1.513e+00 -2.589e-01 -2.024e-02 / CHEB/ 1.136e+01 1.098e+00 6.196e-02 -8.915e-03 / CHEB/ 1.140e-01 3.268e-01 6.619e-02 -1.921e-02 / CHEB/ -2.405e-01 1.516e-02 4.104e-02 -2.045e-03 / CHEB/ -1.695e-01 -4.819e-02 1.278e-02 9.769e-03 / CHEB/ -6.463e-02 -3.759e-02 -3.903e-03 6.786e-03 /

3463.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-3.4	-1.1	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-3.9	-1.3	-0.6

Chebyshev(coeffs=[[-4.85686,-1.59447,-0.255585,-0.0272509],[10.5915,1.12938,0.0517819,0.000778106],[0.185037,0.343319,0.0567397,-0.020125],[-0.206049,0.0221702,0.0406147,-0.00619059],[-0.174178,-0.0456348,0.0166671,0.00841819],[-0.0832701,-0.0368148,-0.00105144,0.00751593]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.53
S298 (cal/mol*K) = -2.85
G298 (kcal/mol) = 24.38

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(478); H(25), C7H10(478); C7H9(5)+H(25)(+M)=>C7H10(478)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.857e+00 -1.594e+00 -2.556e-01 -2.725e-02 / CHEB/ 1.059e+01 1.129e+00 5.178e-02 7.781e-04 / CHEB/ 1.850e-01 3.433e-01 5.674e-02 -2.013e-02 / CHEB/ -2.060e-01 2.217e-02 4.061e-02 -6.191e-03 / CHEB/ -1.742e-01 -4.563e-02 1.667e-02 8.418e-03 / CHEB/ -8.327e-02 -3.681e-02 -1.051e-03 7.516e-03 /

3464.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	+1.4	+4.2	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-9.7	+1.0	+4.1	+5.2

Chebyshev(coeffs=[[-1.97374,-1.28275,-0.282119,-0.00522349],[13.5336,0.963051,0.104225,-0.0351639],[0.0658798,0.273253,0.0808917,-0.00970229],[-0.196086,-0.00124743,0.0346075,0.00741443],[-0.154345,-0.0485179,0.00255016,0.0100799],[-0.0716342,-0.0339731,-0.00840165,0.00399196]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.69
S298 (cal/mol*K) = 11.59
G298 (kcal/mol) = 17.24

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(479); H(25), C7H10(479); C7H9(5)+H(25)(+M)=>C7H10(479)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.974e+00 -1.283e+00 -2.821e-01 -5.223e-03 / CHEB/ 1.353e+01 9.631e-01 1.042e-01 -3.516e-02 / CHEB/ 6.588e-02 2.733e-01 8.089e-02 -9.702e-03 / CHEB/ -1.961e-01 -1.247e-03 3.461e-02 7.414e-03 / CHEB/ -1.543e-01 -4.852e-02 2.550e-03 1.008e-02 / CHEB/ -7.163e-02 -3.397e-02 -8.402e-03 3.992e-03 /

3465.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-3.0	-0.6	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-3.5	-0.7	+0.2

Chebyshev(coeffs=[[-5.3132,-1.45408,-0.26518,-0.0148326],[11.8215,1.05858,0.0700264,-0.017428],[0.107404,0.312593,0.0704,-0.0176331],[-0.206003,0.0108194,0.0397851,0.000625442],[-0.166824,-0.0479393,0.0102151,0.0101769],[-0.0787722,-0.0361223,-0.00485904,0.00607763]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.96
S298 (cal/mol*K) = -7.22
G298 (kcal/mol) = 28.11

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(480); H(25), C7H10(480); C7H9(5)+H(25)(+M)=>C7H10(480)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.313e+00 -1.454e+00 -2.652e-01 -1.483e-02 / CHEB/ 1.182e+01 1.059e+00 7.003e-02 -1.743e-02 / CHEB/ 1.074e-01 3.126e-01 7.040e-02 -1.763e-02 / CHEB/ -2.060e-01 1.082e-02 3.979e-02 6.254e-04 / CHEB/ -1.668e-01 -4.794e-02 1.022e-02 1.018e-02 / CHEB/ -7.877e-02 -3.612e-02 -4.859e-03 6.078e-03 /

3468.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-2.6	+0.8	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-2.7	+0.8	+2.5

Chebyshev(coeffs=[[-5.49447,-0.462671,-0.268133,-0.104752],[13.6663,0.304005,0.172201,0.0632181],[0.284704,0.0824394,0.0423257,0.0115241],[0.0662304,0.0181983,0.00904302,0.00234321],[-0.00160606,-0.0150636,-0.00512556,0.00133918],[-0.00936441,-0.0106349,-0.00406426,0.000301735]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.09
S298 (cal/mol*K) = 31.61
G298 (kcal/mol) = 26.67

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(377); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(377)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.494e+00 -4.627e-01 -2.681e-01 -1.048e-01 / CHEB/ 1.367e+01 3.040e-01 1.722e-01 6.322e-02 / CHEB/ 2.847e-01 8.244e-02 4.233e-02 1.152e-02 / CHEB/ 6.623e-02 1.820e-02 9.043e-03 2.343e-03 / CHEB/ -1.606e-03 -1.506e-02 -5.126e-03 1.339e-03 / CHEB/ -9.364e-03 -1.063e-02 -4.064e-03 3.017e-04 /

3469.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+1.0	+2.4	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-5.1	+0.3	+2.2	+3.2

Chebyshev(coeffs=[[2.51498,-2.71969,-0.662658,-0.0499008],[6.34475,2.41933,0.361157,-0.0470143],[0.206839,0.199365,0.157318,0.022368],[0.00926112,-0.051065,0.0411714,0.0140045],[0.047261,-0.011995,0.00385533,0.0116691],[0.0244987,0.0060899,-0.0017322,0.00267554]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.19
S298 (cal/mol*K) = 8.59
G298 (kcal/mol) = -3.74

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(378); H(25), C7H11(378); C7H10(1)+H(25)(+M)=>C7H11(378)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.515e+00 -2.720e+00 -6.627e-01 -4.990e-02 / CHEB/ 6.345e+00 2.419e+00 3.612e-01 -4.701e-02 / CHEB/ 2.068e-01 1.994e-01 1.573e-01 2.237e-02 / CHEB/ 9.261e-03 -5.107e-02 4.117e-02 1.400e-02 / CHEB/ 4.726e-02 -1.199e-02 3.855e-03 1.167e-02 / CHEB/ 2.450e-02 6.090e-03 -1.732e-03 2.676e-03 /

3470.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+0.9	+2.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+0.2	+2.2	+3.2

Chebyshev(coeffs=[[2.01869,-2.54947,-0.68163,-0.0627389],[6.85659,2.24065,0.374461,-0.0457364],[0.222295,0.157967,0.141632,0.0181328],[-6.38497e-05,-0.0566663,0.0318673,0.0151559],[0.0270161,-0.0060861,0.00181749,0.0116829],[0.0109574,0.0111605,0.00161094,0.00313096]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.19
S298 (cal/mol*K) = 8.59
G298 (kcal/mol) = -3.74

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(379); H(25), C7H11(379); C7H10(1)+H(25)(+M)=>C7H11(379)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.019e+00 -2.549e+00 -6.816e-01 -6.274e-02 / CHEB/ 6.857e+00 2.241e+00 3.745e-01 -4.574e-02 / CHEB/ 2.223e-01 1.580e-01 1.416e-01 1.813e-02 / CHEB/ -6.385e-05 -5.667e-02 3.187e-02 1.516e-02 / CHEB/ 2.702e-02 -6.086e-03 1.817e-03 1.168e-02 / CHEB/ 1.096e-02 1.116e-02 1.611e-03 3.131e-03 /

3471.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+2.2	+3.2	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-2.3	+1.7	+3.0	+3.7

Chebyshev(coeffs=[[5.00782,-2.0845,-0.555419,-0.0221841],[4.40693,1.93646,0.330062,-0.0787713],[0.231369,0.101681,0.130778,0.0323422],[-0.000560502,-0.0774523,0.0065587,0.0149779],[0.00927333,-0.0346011,-0.00496611,0.00764249],[0.0176738,-0.00485495,-0.00326737,0.00292372]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.79
S298 (cal/mol*K) = 1.71
G298 (kcal/mol) = -27.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(380); H(25), C7H11(380); C7H10(1)+H(25)(+M)=>C7H11(380)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.008e+00 -2.084e+00 -5.554e-01 -2.218e-02 / CHEB/ 4.407e+00 1.936e+00 3.301e-01 -7.877e-02 / CHEB/ 2.314e-01 1.017e-01 1.308e-01 3.234e-02 / CHEB/ -5.605e-04 -7.745e-02 6.559e-03 1.498e-02 / CHEB/ 9.273e-03 -3.460e-02 -4.966e-03 7.642e-03 / CHEB/ 1.767e-02 -4.855e-03 -3.267e-03 2.924e-03 /

3472.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+1.9	+3.0	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+1.5	+2.9	+3.5

Chebyshev(coeffs=[[4.49658,-1.95712,-0.568984,-0.0288167],[4.7847,1.81441,0.363026,-0.0710507],[0.229316,0.0935342,0.117529,0.0350042],[-0.012064,-0.0745885,0.00246675,0.014115],[-0.00791248,-0.0341655,-0.00612328,0.00687381],[0.00132395,-0.00536871,-0.00350061,0.00234029]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.29
S298 (cal/mol*K) = 11.29
G298 (kcal/mol) = -16.65

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(381); H(25), C7H11(381); C7H10(1)+H(25)(+M)=>C7H11(381)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.497e+00 -1.957e+00 -5.690e-01 -2.882e-02 / CHEB/ 4.785e+00 1.814e+00 3.630e-01 -7.105e-02 / CHEB/ 2.293e-01 9.353e-02 1.175e-01 3.500e-02 / CHEB/ -1.206e-02 -7.459e-02 2.467e-03 1.412e-02 / CHEB/ -7.912e-03 -3.417e-02 -6.123e-03 6.874e-03 / CHEB/ 1.324e-03 -5.369e-03 -3.501e-03 2.340e-03 /

3473.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+3.1	+3.5	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+3.0	+3.9	+4.1

Chebyshev(coeffs=[[5.83079,-1.59533,-0.633675,-0.0210584],[3.72037,2.78652,0.20204,-0.0886648],[-0.138946,0.431051,0.137904,0.00999729],[-0.184103,0.0126654,0.0437667,0.00323942],[-0.0871364,-0.0135556,0.0221584,0.00643354],[-0.0438679,0.00213982,0.0102535,0.00544822]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.29
S298 (cal/mol*K) = 11.29
G298 (kcal/mol) = -16.65

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(382); H(25), C7H11(382); C7H10(1)+H(25)(+M)=>C7H11(382)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.831e+00 -1.595e+00 -6.337e-01 -2.106e-02 / CHEB/ 3.720e+00 2.787e+00 2.020e-01 -8.866e-02 / CHEB/ -1.389e-01 4.311e-01 1.379e-01 9.997e-03 / CHEB/ -1.841e-01 1.267e-02 4.377e-02 3.239e-03 / CHEB/ -8.714e-02 -1.356e-02 2.216e-02 6.434e-03 / CHEB/ -4.387e-02 2.140e-03 1.025e-02 5.448e-03 /

3474.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.1	-5.4	-0.2	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-21.2	-5.5	-0.3	+2.3

Chebyshev(coeffs=[[-13.8423,-0.190229,-0.119639,-0.0553472],[22.0854,0.073493,0.0456932,0.0205971],[0.0795379,0.053299,0.0311245,0.0121574],[0.00858627,0.0227996,0.0132462,0.00514889],[-0.0188805,-0.008005,-0.00396889,-0.000836005],[-0.0174239,-0.00869387,-0.00459039,-0.00132444]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.53
S298 (cal/mol*K) = 52.84
G298 (kcal/mol) = 53.78

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H7(383); H(25), C3H4(73); C7H10(1)+H(25)(+M)=>C3H4(73)+C4H7(383)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.384e+01 -1.902e-01 -1.196e-01 -5.535e-02 / CHEB/ 2.209e+01 7.349e-02 4.569e-02 2.060e-02 / CHEB/ 7.954e-02 5.330e-02 3.112e-02 1.216e-02 / CHEB/ 8.586e-03 2.280e-02 1.325e-02 5.149e-03 / CHEB/ -1.888e-02 -8.005e-03 -3.969e-03 -8.360e-04 / CHEB/ -1.742e-02 -8.694e-03 -4.590e-03 -1.324e-03 /

3475.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-7.7	-2.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-21.9	-7.8	-3.0	-0.6

Chebyshev(coeffs=[[-14.6467,-0.230749,-0.142863,-0.0641217],[19.8888,0.0999916,0.0611737,0.0267175],[0.122406,0.061097,0.0346367,0.0125515],[0.0232029,0.0241481,0.0136165,0.00492666],[-0.0140252,-0.00941738,-0.004351,-0.00055981],[-0.0153117,-0.00955163,-0.0047699,-0.00110056]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.41
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 52.85

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(384); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(384)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.465e+01 -2.307e-01 -1.429e-01 -6.412e-02 / CHEB/ 1.989e+01 9.999e-02 6.117e-02 2.672e-02 / CHEB/ 1.224e-01 6.110e-02 3.464e-02 1.255e-02 / CHEB/ 2.320e-02 2.415e-02 1.362e-02 4.927e-03 / CHEB/ -1.403e-02 -9.417e-03 -4.351e-03 -5.598e-04 / CHEB/ -1.531e-02 -9.552e-03 -4.770e-03 -1.101e-03 /

3476.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.1	-9.2	-3.6	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-26.2	-9.3	-3.6	-0.9

Chebyshev(coeffs=[[-18.7531,-0.165423,-0.1052,-0.0497073],[23.8799,0.0588813,0.0370445,0.0170887],[0.054408,0.0478502,0.0285181,0.0116904],[-0.000962055,0.0215228,0.0127509,0.00518126],[-0.022206,-0.00702672,-0.00364514,-0.000950533],[-0.018841,-0.00801659,-0.00438209,-0.00141728]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.91
S298 (cal/mol*K) = 38.33
G298 (kcal/mol) = 63.49

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(76); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.875e+01 -1.654e-01 -1.052e-01 -4.971e-02 / CHEB/ 2.388e+01 5.888e-02 3.704e-02 1.709e-02 / CHEB/ 5.441e-02 4.785e-02 2.852e-02 1.169e-02 / CHEB/ -9.621e-04 2.152e-02 1.275e-02 5.181e-03 / CHEB/ -2.221e-02 -7.027e-03 -3.645e-03 -9.505e-04 / CHEB/ -1.884e-02 -8.017e-03 -4.382e-03 -1.417e-03 /

3477.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.5	-8.4	-2.7	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-25.7	-8.5	-2.8	+0.0

Chebyshev(coeffs=[[-18.165,-0.287467,-0.173554,-0.0736335],[24.1165,0.118148,0.0636969,0.0196528],[0.096833,0.0598575,0.0387865,0.0188614],[0.0052075,0.0365472,0.0200748,0.00684287],[-0.0212496,0.00647953,0.00396934,0.00168673],[-0.0204513,-0.00386381,-0.00099779,0.000775295]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.91
S298 (cal/mol*K) = 38.33
G298 (kcal/mol) = 63.49

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(167); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.816e+01 -2.875e-01 -1.736e-01 -7.363e-02 / CHEB/ 2.412e+01 1.181e-01 6.370e-02 1.965e-02 / CHEB/ 9.683e-02 5.986e-02 3.879e-02 1.886e-02 / CHEB/ 5.207e-03 3.655e-02 2.007e-02 6.843e-03 / CHEB/ -2.125e-02 6.480e-03 3.969e-03 1.687e-03 / CHEB/ -2.045e-02 -3.864e-03 -9.978e-04 7.753e-04 /

3478.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.4	-11.7	-5.2	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-31.5	-11.8	-5.2	-2.0

Chebyshev(coeffs=[[-23.7603,-0.128589,-0.0833168,-0.0407742],[27.7284,0.0397469,0.0255397,0.0122751],[0.0660957,0.0388815,0.0239479,0.0105609],[-0.00239575,0.0188939,0.0115506,0.00502363],[-0.0232083,-0.00546257,-0.00303498,-0.00101314],[-0.0194768,-0.00680927,-0.00392006,-0.00146791]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.01
S298 (cal/mol*K) = 35.63
G298 (kcal/mol) = 76.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(385); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(385)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.376e+01 -1.286e-01 -8.332e-02 -4.077e-02 / CHEB/ 2.773e+01 3.975e-02 2.554e-02 1.228e-02 / CHEB/ 6.610e-02 3.888e-02 2.395e-02 1.056e-02 / CHEB/ -2.396e-03 1.889e-02 1.155e-02 5.024e-03 / CHEB/ -2.321e-02 -5.463e-03 -3.035e-03 -1.013e-03 / CHEB/ -1.948e-02 -6.809e-03 -3.920e-03 -1.468e-03 /

3479.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.8	-12.1	-5.6	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-31.9	-12.2	-5.6	-2.3

Chebyshev(coeffs=[[-24.1821,-0.128871,-0.083487,-0.0408459],[27.7849,0.0398834,0.0256228,0.0123107],[0.0863034,0.0389519,0.023985,0.0105714],[0.00355631,0.0189178,0.0115623,0.00502604],[-0.0212243,-0.00547455,-0.00304005,-0.00101316],[-0.0187756,-0.00681926,-0.00392427,-0.00146798]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.01
S298 (cal/mol*K) = 35.63
G298 (kcal/mol) = 76.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(386); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(386)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.418e+01 -1.289e-01 -8.349e-02 -4.085e-02 / CHEB/ 2.778e+01 3.988e-02 2.562e-02 1.231e-02 / CHEB/ 8.630e-02 3.895e-02 2.399e-02 1.057e-02 / CHEB/ 3.556e-03 1.892e-02 1.156e-02 5.026e-03 / CHEB/ -2.122e-02 -5.475e-03 -3.040e-03 -1.013e-03 / CHEB/ -1.878e-02 -6.819e-03 -3.924e-03 -1.468e-03 /

3480.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-4.0	-1.1	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-4.2	-1.2	+0.3

Chebyshev(coeffs=[[-5.60758,-0.620256,-0.343342,-0.120148],[11.5945,0.452488,0.240925,0.0745502],[0.271923,0.0901415,0.0455527,0.0122068],[0.0565277,0.00996977,0.00490469,0.00147076],[-0.00496725,-0.0176473,-0.00521242,0.00228854],[-0.00916209,-0.00996739,-0.00322144,0.000936342]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.18
S298 (cal/mol*K) = 5.52
G298 (kcal/mol) = 2.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(387); H(25), C7H11(387); C7H10(1)+H(25)(+M)=>C7H11(387)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.608e+00 -6.203e-01 -3.433e-01 -1.201e-01 / CHEB/ 1.159e+01 4.525e-01 2.409e-01 7.455e-02 / CHEB/ 2.719e-01 9.014e-02 4.555e-02 1.221e-02 / CHEB/ 5.653e-02 9.970e-03 4.905e-03 1.471e-03 / CHEB/ -4.967e-03 -1.765e-02 -5.212e-03 2.289e-03 / CHEB/ -9.162e-03 -9.967e-03 -3.221e-03 9.363e-04 /

3481.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.8	-15.1	-7.0	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-39.8	-15.1	-7.0	-3.1

Chebyshev(coeffs=[[-31.7985,-0.0798045,-0.0531593,-0.0273659],[34.9018,0.01893,0.0125958,0.00646605],[-0.0653657,0.0258878,0.0166818,0.00806566],[-0.0508717,0.0137418,0.00880579,0.00421305],[-0.0399247,-0.00342873,-0.00207979,-0.000880863],[-0.0250989,-0.00488136,-0.00301105,-0.00132878]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 102.44
S298 (cal/mol*K) = 46.21
G298 (kcal/mol) = 88.67

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(388); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(388)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.180e+01 -7.980e-02 -5.316e-02 -2.737e-02 / CHEB/ 3.490e+01 1.893e-02 1.260e-02 6.466e-03 / CHEB/ -6.537e-02 2.589e-02 1.668e-02 8.066e-03 / CHEB/ -5.087e-02 1.374e-02 8.806e-03 4.213e-03 / CHEB/ -3.992e-02 -3.429e-03 -2.080e-03 -8.809e-04 / CHEB/ -2.510e-02 -4.881e-03 -3.011e-03 -1.329e-03 /

3482.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.1	-11.2	-4.7	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-30.2	-11.2	-4.7	-1.4

Chebyshev(coeffs=[[-22.3998,-0.138905,-0.0894649,-0.0432962],[26.6557,0.0498179,0.0317077,0.0149655],[0.268332,0.0415402,0.0254057,0.0110362],[0.0546884,0.0190631,0.0116093,0.00501152],[-0.00624487,-0.00629038,-0.00341947,-0.00106482],[-0.0143677,-0.00719586,-0.00409135,-0.00148279]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.61
S298 (cal/mol*K) = 36.38
G298 (kcal/mol) = 71.77

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(389); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(389)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.240e+01 -1.389e-01 -8.946e-02 -4.330e-02 / CHEB/ 2.666e+01 4.982e-02 3.171e-02 1.497e-02 / CHEB/ 2.683e-01 4.154e-02 2.541e-02 1.104e-02 / CHEB/ 5.469e-02 1.906e-02 1.161e-02 5.012e-03 / CHEB/ -6.245e-03 -6.290e-03 -3.419e-03 -1.065e-03 / CHEB/ -1.437e-02 -7.196e-03 -4.091e-03 -1.483e-03 /

3483.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-0.4	+1.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.6	+1.4	+2.4

Chebyshev(coeffs=[[-0.0616356,-0.948398,-0.470265,-0.122926],[8.36578,0.763327,0.349174,0.0633729],[0.0912096,0.106084,0.0557609,0.0172741],[-0.0118284,-0.00949723,-0.00124388,0.00298493],[-0.0269023,-0.0223865,-0.00516156,0.00379913],[-0.0141411,-0.0080564,-0.00197255,0.00149156]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.72
S298 (cal/mol*K) = 27.86
G298 (kcal/mol) = 11.42

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(390); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(390)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.164e-02 -9.484e-01 -4.703e-01 -1.229e-01 / CHEB/ 8.366e+00 7.633e-01 3.492e-01 6.337e-02 / CHEB/ 9.121e-02 1.061e-01 5.576e-02 1.727e-02 / CHEB/ -1.183e-02 -9.497e-03 -1.244e-03 2.985e-03 / CHEB/ -2.690e-02 -2.239e-02 -5.162e-03 3.799e-03 / CHEB/ -1.414e-02 -8.056e-03 -1.973e-03 1.492e-03 /

3484.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+0.3	+2.2	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+0.1	+2.1	+3.1

Chebyshev(coeffs=[[1.01032,-1.13777,-0.52341,-0.110976],[7.87807,0.9471,0.389989,0.0423556],[0.227359,0.106834,0.0604846,0.0208885],[0.0207695,-0.021638,-0.00377022,0.00442012],[-0.0144175,-0.0233671,-0.00486783,0.00414222],[-0.00839547,-0.0061565,-0.00131141,0.00152594]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = 11.47
G298 (kcal/mol) = -14.41

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(391); H(25), C7H11(391); C7H10(1)+H(25)(+M)=>C7H11(391)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.010e+00 -1.138e+00 -5.234e-01 -1.110e-01 / CHEB/ 7.878e+00 9.471e-01 3.900e-01 4.236e-02 / CHEB/ 2.274e-01 1.068e-01 6.048e-02 2.089e-02 / CHEB/ 2.077e-02 -2.164e-02 -3.770e-03 4.420e-03 / CHEB/ -1.442e-02 -2.337e-02 -4.868e-03 4.142e-03 / CHEB/ -8.395e-03 -6.156e-03 -1.311e-03 1.526e-03 /

3485.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	-0.1	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-0.9	+1.2	+2.1

Chebyshev(coeffs=[[1.21525,-2.43485,-0.791721,-0.0487658],[6.47963,1.98818,0.492701,-0.0655161],[0.372915,0.252913,0.133505,0.0264311],[0.0279277,0.0353696,0.0280639,0.00991669],[-0.0236819,-0.0198763,0.0121535,0.012286],[-0.0206136,-0.0281724,0.0011598,0.00851012]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.50
S298 (cal/mol*K) = 9.42
G298 (kcal/mol) = -1.30

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(392); H(25), C7H11(392); C7H10(1)+H(25)(+M)=>C7H11(392)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.215e+00 -2.435e+00 -7.917e-01 -4.877e-02 / CHEB/ 6.480e+00 1.988e+00 4.927e-01 -6.552e-02 / CHEB/ 3.729e-01 2.529e-01 1.335e-01 2.643e-02 / CHEB/ 2.793e-02 3.537e-02 2.806e-02 9.917e-03 / CHEB/ -2.368e-02 -1.988e-02 1.215e-02 1.229e-02 / CHEB/ -2.061e-02 -2.817e-02 1.160e-03 8.510e-03 /

3486.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+1.5	+3.5	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-5.7	+0.6	+3.0	+4.1

Chebyshev(coeffs=[[2.11418,-1.86736,-0.296738,0.00810177],[7.6968,0.991988,-0.0288848,-0.0536281],[0.362169,0.327734,0.0299989,-0.0226464],[0.0140403,0.149209,0.0245896,-0.0183605],[-0.0581044,0.0550385,0.0328361,-0.00805837],[-0.0500956,0.00573372,0.0298092,0.00667212]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.60
S298 (cal/mol*K) = 12.12
G298 (kcal/mol) = -14.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(393); H(25), C7H11(393); C7H10(1)+H(25)(+M)=>C7H11(393)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.114e+00 -1.867e+00 -2.967e-01 8.102e-03 / CHEB/ 7.697e+00 9.920e-01 -2.888e-02 -5.363e-02 / CHEB/ 3.622e-01 3.277e-01 3.000e-02 -2.265e-02 / CHEB/ 1.404e-02 1.492e-01 2.459e-02 -1.836e-02 / CHEB/ -5.810e-02 5.504e-02 3.284e-02 -8.058e-03 / CHEB/ -5.010e-02 5.734e-03 2.981e-02 6.672e-03 /

3487.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-2.9	-0.6	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-3.5	-0.7	+0.8

Chebyshev(coeffs=[[-2.54523,-1.86953,-0.732843,-0.0933839],[8.5145,1.53181,0.539571,0.0239867],[0.565146,0.294968,0.131326,0.0265687],[0.180566,0.051501,0.0285183,0.00773079],[0.0551961,-0.0375212,-0.00135156,0.00668707],[0.0180791,-0.0491206,-0.0142912,0.00163689]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.70
S298 (cal/mol*K) = 9.00
G298 (kcal/mol) = 1.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(394); H(25), C7H11(394); C7H10(1)+H(25)(+M)=>C7H11(394)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.545e+00 -1.870e+00 -7.328e-01 -9.338e-02 / CHEB/ 8.515e+00 1.532e+00 5.396e-01 2.399e-02 / CHEB/ 5.651e-01 2.950e-01 1.313e-01 2.657e-02 / CHEB/ 1.806e-01 5.150e-02 2.852e-02 7.731e-03 / CHEB/ 5.520e-02 -3.752e-02 -1.352e-03 6.687e-03 / CHEB/ 1.808e-02 -4.912e-02 -1.429e-02 1.637e-03 /

3488.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+3.2	+3.5	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+3.1	+4.0	+4.2

Chebyshev(coeffs=[[5.86204,-1.39556,-0.74002,0.00675059],[3.72708,2.66384,0.294187,-0.121619],[-0.095826,0.38872,0.179699,0.00467629],[-0.217384,0.0459103,0.0396705,0.00684193],[-0.0864205,-0.0179188,0.0195418,0.0104607],[-0.0151063,-0.0273694,0.00784631,0.00977226]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.60
S298 (cal/mol*K) = 12.12
G298 (kcal/mol) = -14.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(395); H(25), C7H11(395); C7H10(1)+H(25)(+M)=>C7H11(395)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.862e+00 -1.396e+00 -7.400e-01 6.751e-03 / CHEB/ 3.727e+00 2.664e+00 2.942e-01 -1.216e-01 / CHEB/ -9.583e-02 3.887e-01 1.797e-01 4.676e-03 / CHEB/ -2.174e-01 4.591e-02 3.967e-02 6.842e-03 / CHEB/ -8.642e-02 -1.792e-02 1.954e-02 1.046e-02 / CHEB/ -1.511e-02 -2.737e-02 7.846e-03 9.772e-03 /

3489.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.4	-14.6	-6.5	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-39.4	-14.6	-6.5	-2.6

Chebyshev(coeffs=[[-31.4235,-0.0791973,-0.0527733,-0.0271842],[35.0248,0.0186881,0.0124409,0.00639216],[-0.0647232,0.0257226,0.0165846,0.00802737],[-0.0508271,0.0136652,0.00876196,0.00419701],[-0.039908,-0.00340378,-0.00206684,-0.000877561],[-0.025082,-0.00485461,-0.00299713,-0.00132512]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.03
S298 (cal/mol*K) = 49.25
G298 (kcal/mol) = 88.35

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(396); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(396)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.142e+01 -7.920e-02 -5.277e-02 -2.718e-02 / CHEB/ 3.502e+01 1.869e-02 1.244e-02 6.392e-03 / CHEB/ -6.472e-02 2.572e-02 1.658e-02 8.027e-03 / CHEB/ -5.083e-02 1.367e-02 8.762e-03 4.197e-03 / CHEB/ -3.991e-02 -3.404e-03 -2.067e-03 -8.776e-04 / CHEB/ -2.508e-02 -4.855e-03 -2.997e-03 -1.325e-03 /

3512.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.1	+3.4	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+1.6	+3.2	+4.1

Chebyshev(coeffs=[[6.20585,-1.28841,-0.356917,-0.0765175],[2.91768,0.878076,0.0976599,0.0230218],[0.744581,0.207124,0.104915,-0.0189054],[0.192479,0.0739528,0.0665899,0.0191422],[0.0381158,0.0171515,0.00883317,0.0128149],[-0.00693329,-0.00224812,-0.00147922,0.000181302]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.06
S298 (cal/mol*K) = -19.16
G298 (kcal/mol) = -21.35

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(481); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(481)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.206e+00 -1.288e+00 -3.569e-01 -7.652e-02 / CHEB/ 2.918e+00 8.781e-01 9.766e-02 2.302e-02 / CHEB/ 7.446e-01 2.071e-01 1.049e-01 -1.891e-02 / CHEB/ 1.925e-01 7.395e-02 6.659e-02 1.914e-02 / CHEB/ 3.812e-02 1.715e-02 8.833e-03 1.281e-02 / CHEB/ -6.933e-03 -2.248e-03 -1.479e-03 1.813e-04 /

3513.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+0.5	+1.7	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-2.9	-0.1	+1.4	+2.4

Chebyshev(coeffs=[[4.41235,-1.46695,-0.405515,-0.0567534],[3.04095,1.0694,0.133467,-0.011822],[0.680599,0.19316,0.120118,-0.00487778],[0.162344,0.0517044,0.0541553,0.0196709],[0.0460327,0.0272117,0.00940047,0.00909025],[-0.00352585,0.00420627,0.00288635,0.00137951]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -57.13
S298 (cal/mol*K) = -37.39
G298 (kcal/mol) = -45.99

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(482); C2H4(72), C7H11(482); C5H7(210)+C2H4(72)(+M)=>C7H11(482)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.412e+00 -1.467e+00 -4.055e-01 -5.675e-02 / CHEB/ 3.041e+00 1.069e+00 1.335e-01 -1.182e-02 / CHEB/ 6.806e-01 1.932e-01 1.201e-01 -4.878e-03 / CHEB/ 1.623e-01 5.170e-02 5.416e-02 1.967e-02 / CHEB/ 4.603e-02 2.721e-02 9.400e-03 9.090e-03 / CHEB/ -3.526e-03 4.206e-03 2.886e-03 1.380e-03 /

3514.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+0.9	+2.1	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+0.4	+1.8	+2.7

Chebyshev(coeffs=[[4.87065,-1.47918,-0.406668,-0.0566876],[2.945,1.0674,0.1309,-0.0113371],[0.668228,0.198959,0.119532,-0.00590307],[0.146794,0.0549326,0.0550516,0.0189791],[0.0265738,0.028298,0.0100662,0.00913907],[-0.00922781,0.00449633,0.00309985,0.00149383]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -57.13
S298 (cal/mol*K) = -37.39
G298 (kcal/mol) = -45.99

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(483); C2H4(72), C7H11(483); C5H7(210)+C2H4(72)(+M)=>C7H11(483)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.871e+00 -1.479e+00 -4.067e-01 -5.669e-02 / CHEB/ 2.945e+00 1.067e+00 1.309e-01 -1.134e-02 / CHEB/ 6.682e-01 1.990e-01 1.195e-01 -5.903e-03 / CHEB/ 1.468e-01 5.493e-02 5.505e-02 1.898e-02 / CHEB/ 2.657e-02 2.830e-02 1.007e-02 9.139e-03 / CHEB/ -9.228e-03 4.496e-03 3.100e-03 1.494e-03 /

3515.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+3.4	+4.0	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.8	+3.6	+4.2

Chebyshev(coeffs=[[8.19729,-1.589,-0.416664,-0.0555937],[1.50596,1.03502,0.109151,-0.00638698],[0.297873,0.253684,0.112407,-0.0139537],[0.101358,0.0903301,0.0609279,0.0119859],[0.0393188,0.0375668,0.0157009,0.00873709],[-0.00220079,0.00557967,0.00540967,0.00242853]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -77.93
S298 (cal/mol*K) = -39.57
G298 (kcal/mol) = -66.14

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(484); C2H4(72), C7H11(484); C5H7(210)+C2H4(72)(+M)=>C7H11(484)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.197e+00 -1.589e+00 -4.167e-01 -5.559e-02 / CHEB/ 1.506e+00 1.035e+00 1.092e-01 -6.387e-03 / CHEB/ 2.979e-01 2.537e-01 1.124e-01 -1.395e-02 / CHEB/ 1.014e-01 9.033e-02 6.093e-02 1.199e-02 / CHEB/ 3.932e-02 3.757e-02 1.570e-02 8.737e-03 / CHEB/ -2.201e-03 5.580e-03 5.410e-03 2.429e-03 /

3516.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-0.5	+2.1	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-0.8	+2.0	+3.6

Chebyshev(coeffs=[[0.794541,-1.10514,-0.387777,-0.0600242],[7.4691,0.905515,0.199231,-0.0196929],[1.02338,0.0842921,0.104823,0.0267688],[0.219084,0.0261014,0.0286479,0.0221382],[0.0446108,0.0232628,0.00449278,0.00279032],[-0.00441995,0.0014041,0.00252481,0.000415427]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.13
S298 (cal/mol*K) = -4.02
G298 (kcal/mol) = 11.32

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(485); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>CH3(423)+C6H8(485)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.945e-01 -1.105e+00 -3.878e-01 -6.002e-02 / CHEB/ 7.469e+00 9.055e-01 1.992e-01 -1.969e-02 / CHEB/ 1.023e+00 8.429e-02 1.048e-01 2.677e-02 / CHEB/ 2.191e-01 2.610e-02 2.865e-02 2.214e-02 / CHEB/ 4.461e-02 2.326e-02 4.493e-03 2.790e-03 / CHEB/ -4.420e-03 1.404e-03 2.525e-03 4.154e-04 /

3517.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-3.9	-1.2	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-4.2	-1.3	+0.3

Chebyshev(coeffs=[[-3.63691,-0.972524,-0.382932,-0.0678591],[8.89517,0.771264,0.210353,-0.0126011],[0.821494,0.0788674,0.0894402,0.0318602],[0.196665,0.0317363,0.0258309,0.0183555],[0.0355183,0.0245656,0.00710736,0.00198811],[-0.00799434,0.00176952,0.00292897,0.00100015]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.87
S298 (cal/mol*K) = -14.02
G298 (kcal/mol) = 23.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(486); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(486)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.637e+00 -9.725e-01 -3.829e-01 -6.786e-02 / CHEB/ 8.895e+00 7.713e-01 2.104e-01 -1.260e-02 / CHEB/ 8.215e-01 7.887e-02 8.944e-02 3.186e-02 / CHEB/ 1.967e-01 3.174e-02 2.583e-02 1.836e-02 / CHEB/ 3.552e-02 2.457e-02 7.107e-03 1.988e-03 / CHEB/ -7.994e-03 1.770e-03 2.929e-03 1.000e-03 /

3518.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-4.2	-1.5	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-4.5	-1.7	-0.1

Chebyshev(coeffs=[[-3.25254,-0.652015,-0.282419,-0.0904687],[7.98546,0.418279,0.126977,0.0362459],[0.930667,0.0924763,0.0583064,0.00393998],[0.218049,0.0666583,0.0459154,0.0188431],[0.0271287,0.0159483,0.00814385,0.00738226],[-0.0117775,-0.00592041,-0.00288177,-0.000926876]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.18
S298 (cal/mol*K) = -18.46
G298 (kcal/mol) = 20.68

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(487); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(487)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.253e+00 -6.520e-01 -2.824e-01 -9.047e-02 / CHEB/ 7.985e+00 4.183e-01 1.270e-01 3.625e-02 / CHEB/ 9.307e-01 9.248e-02 5.831e-02 3.940e-03 / CHEB/ 2.180e-01 6.666e-02 4.592e-02 1.884e-02 / CHEB/ 2.713e-02 1.595e-02 8.144e-03 7.382e-03 / CHEB/ -1.178e-02 -5.920e-03 -2.882e-03 -9.269e-04 /

3519.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+1.0	+1.7	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+0.4	+1.4	+2.1

Chebyshev(coeffs=[[5.57504,-1.43303,-0.427307,-0.0898326],[1.86137,0.900839,0.138929,0.0350078],[0.480172,0.278262,0.110565,-0.0183634],[0.119252,0.0821788,0.0623998,0.0109699],[0.0215348,0.018438,0.0115254,0.0123795],[-0.00673875,0.00382037,0.00272226,0.00220462]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.80
S298 (cal/mol*K) = -43.16
G298 (kcal/mol) = -40.94

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(488); C2H4(72), C7H11(488); C5H7(210)+C2H4(72)(+M)=>C7H11(488)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.575e+00 -1.433e+00 -4.273e-01 -8.983e-02 / CHEB/ 1.861e+00 9.008e-01 1.389e-01 3.501e-02 / CHEB/ 4.802e-01 2.783e-01 1.106e-01 -1.836e-02 / CHEB/ 1.193e-01 8.218e-02 6.240e-02 1.097e-02 / CHEB/ 2.153e-02 1.844e-02 1.153e-02 1.238e-02 / CHEB/ -6.739e-03 3.820e-03 2.722e-03 2.205e-03 /

3520.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-3.2	+0.5	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-3.4	+0.4	+2.5

Chebyshev(coeffs=[[-5.37225,-0.694802,-0.332144,-0.0850336],[12.8455,0.553614,0.213968,0.0173454],[0.771145,0.0458876,0.0564337,0.0340263],[0.217951,0.0304947,0.0193503,0.0119792],[0.0450643,0.0216532,0.00881883,0.00127036],[-0.00550463,-0.000296291,0.00160435,0.00136203]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.42
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = 24.81

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H6(490); C2H4(72), C3H5(489); C5H7(210)+C2H4(72)(+M)=>C3H5(489)+C4H6(490)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.372e+00 -6.948e-01 -3.321e-01 -8.503e-02 / CHEB/ 1.285e+01 5.536e-01 2.140e-01 1.735e-02 / CHEB/ 7.711e-01 4.589e-02 5.643e-02 3.403e-02 / CHEB/ 2.180e-01 3.049e-02 1.935e-02 1.198e-02 / CHEB/ 4.506e-02 2.165e-02 8.819e-03 1.270e-03 / CHEB/ -5.505e-03 -2.963e-04 1.604e-03 1.362e-03 /

3521.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-4.9	-2.2	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-5.2	-2.3	-0.7

Chebyshev(coeffs=[[-4.13788,-1.03216,-0.386532,-0.0639128],[8.23553,0.829639,0.206184,-0.0168088],[0.905623,0.0816974,0.0962928,0.0300532],[0.202577,0.0296368,0.0270074,0.0199416],[0.0356724,0.0243413,0.00609292,0.00227548],[-0.00743212,0.00175123,0.00286151,0.000774468]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.18
S298 (cal/mol*K) = -18.46
G298 (kcal/mol) = 20.68

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(491); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(491)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.138e+00 -1.032e+00 -3.865e-01 -6.391e-02 / CHEB/ 8.236e+00 8.296e-01 2.062e-01 -1.681e-02 / CHEB/ 9.056e-01 8.170e-02 9.629e-02 3.005e-02 / CHEB/ 2.026e-01 2.964e-02 2.701e-02 1.994e-02 / CHEB/ 3.567e-02 2.434e-02 6.093e-03 2.275e-03 / CHEB/ -7.432e-03 1.751e-03 2.862e-03 7.745e-04 /

3522.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	-0.5	-0.1	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-2.7	-1.2	-0.4	+0.1

Chebyshev(coeffs=[[4.20349,-1.59184,-0.418294,-0.0557269],[1.47781,1.0274,0.10656,-0.00687004],[0.264952,0.24942,0.110794,-0.0142859],[0.0808029,0.0902687,0.0602046,0.0116194],[0.0297614,0.0391978,0.0156613,0.00836361],[-0.00588233,0.00704242,0.00566874,0.00220505]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.62
S298 (cal/mol*K) = -44.99
G298 (kcal/mol) = -45.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(492); C2H4(72), C7H11(492); C5H7(210)+C2H4(72)(+M)=>C7H11(492)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.203e+00 -1.592e+00 -4.183e-01 -5.573e-02 / CHEB/ 1.478e+00 1.027e+00 1.066e-01 -6.870e-03 / CHEB/ 2.650e-01 2.494e-01 1.108e-01 -1.429e-02 / CHEB/ 8.080e-02 9.027e-02 6.020e-02 1.162e-02 / CHEB/ 2.976e-02 3.920e-02 1.566e-02 8.364e-03 / CHEB/ -5.882e-03 7.042e-03 5.669e-03 2.205e-03 /

3523.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+1.1	+1.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+0.3	+1.0	+1.4

Chebyshev(coeffs=[[5.98279,-1.61744,-0.421082,-0.0553781],[1.14952,1.01271,0.1009,-0.00573659],[0.164198,0.258584,0.108061,-0.0157894],[0.0616879,0.0999758,0.0606045,0.00982664],[0.0306372,0.0435702,0.0167873,0.00779431],[-0.00461267,0.00832842,0.00642265,0.00216341]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -98.89
S298 (cal/mol*K) = -58.66
G298 (kcal/mol) = -81.41

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(493); C2H4(72), C7H11(493); C5H7(210)+C2H4(72)(+M)=>C7H11(493)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.983e+00 -1.617e+00 -4.211e-01 -5.538e-02 / CHEB/ 1.150e+00 1.013e+00 1.009e-01 -5.737e-03 / CHEB/ 1.642e-01 2.586e-01 1.081e-01 -1.579e-02 / CHEB/ 6.169e-02 9.998e-02 6.060e-02 9.827e-03 / CHEB/ 3.064e-02 4.357e-02 1.679e-02 7.794e-03 / CHEB/ -4.613e-03 8.328e-03 6.423e-03 2.163e-03 /

3524.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.7	-6.9	-2.5	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-19.0	-7.0	-2.6	-0.2

Chebyshev(coeffs=[[-11.5794,-0.470518,-0.26099,-0.0923294],[16.6438,0.349563,0.17092,0.0400948],[0.496088,0.0313561,0.033053,0.0243147],[0.166373,0.0338117,0.0196396,0.00849851],[0.0346452,0.0203697,0.0104779,0.00285591],[-0.00768503,-0.000639959,0.000857165,0.00133906]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.30
S298 (cal/mol*K) = -1.14
G298 (kcal/mol) = 40.64

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(494); C2H4(72), C2H4(495); C5H7(210)+C2H4(72)(+M)=>C5H7(494)+C2H4(495)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.158e+01 -4.705e-01 -2.610e-01 -9.233e-02 / CHEB/ 1.664e+01 3.496e-01 1.709e-01 4.009e-02 / CHEB/ 4.961e-01 3.136e-02 3.305e-02 2.431e-02 / CHEB/ 1.664e-01 3.381e-02 1.964e-02 8.499e-03 / CHEB/ 3.465e-02 2.037e-02 1.048e-02 2.856e-03 / CHEB/ -7.685e-03 -6.400e-04 8.572e-04 1.339e-03 /

3525.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+3.4	+3.5	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.1	+3.4	+3.6

Chebyshev(coeffs=[[8.91419,-0.494057,-0.284336,-0.109229],[0.462417,0.192891,0.10739,0.0369919],[0.128422,0.12669,0.0667,0.0205311],[0.0726026,0.0828286,0.0429903,0.0126553],[0.0214357,0.0108123,0.0079442,0.0044976],[-0.00251274,-0.014587,-0.00541978,0.000323292]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.46
S298 (cal/mol*K) = -37.18
G298 (kcal/mol) = -44.38

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(454); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(454)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.914e+00 -4.941e-01 -2.843e-01 -1.092e-01 / CHEB/ 4.624e-01 1.929e-01 1.074e-01 3.699e-02 / CHEB/ 1.284e-01 1.267e-01 6.670e-02 2.053e-02 / CHEB/ 7.260e-02 8.283e-02 4.299e-02 1.266e-02 / CHEB/ 2.144e-02 1.081e-02 7.944e-03 4.498e-03 / CHEB/ -2.513e-03 -1.459e-02 -5.420e-03 3.233e-04 /

3526.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+2.7	+2.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+2.5	+2.7	+2.8

Chebyshev(coeffs=[[8.28202,-0.499576,-0.287407,-0.110313],[0.383294,0.18801,0.10455,0.035854],[0.079784,0.12553,0.0658939,0.0201062],[0.0466753,0.0839596,0.0433786,0.0125826],[0.00896856,0.012361,0.00865539,0.00461447],[-0.00794082,-0.013578,-0.00488378,0.000483494]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -100.35
S298 (cal/mol*K) = -59.09
G298 (kcal/mol) = -82.74

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(455); C2H4(72), C7H11(455); C5H7(210)+C2H4(72)(+M)=>C7H11(455)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.282e+00 -4.996e-01 -2.874e-01 -1.103e-01 / CHEB/ 3.833e-01 1.880e-01 1.046e-01 3.585e-02 / CHEB/ 7.978e-02 1.255e-01 6.589e-02 2.011e-02 / CHEB/ 4.668e-02 8.396e-02 4.338e-02 1.258e-02 / CHEB/ 8.969e-03 1.236e-02 8.655e-03 4.614e-03 / CHEB/ -7.941e-03 -1.358e-02 -4.884e-03 4.835e-04 /

3527.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+3.7	+3.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+3.4	+3.5	+3.5

Chebyshev(coeffs=[[9.2283,-0.631179,-0.36737,-0.144824],[0.286476,0.272406,0.1559,0.0576242],[-0.0330817,0.11684,0.0621095,0.0201434],[0.00867592,0.10041,0.0512797,0.0142612],[0.00292567,0.0284899,0.017703,0.00791984],[-0.00875074,-0.00837541,-0.00167093,0.00190296]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -85.30
S298 (cal/mol*K) = -50.96
G298 (kcal/mol) = -70.12

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(456); C2H4(72), C7H11(456); C5H7(210)+C2H4(72)(+M)=>C7H11(456)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.228e+00 -6.312e-01 -3.674e-01 -1.448e-01 / CHEB/ 2.865e-01 2.724e-01 1.559e-01 5.762e-02 / CHEB/ -3.308e-02 1.168e-01 6.211e-02 2.014e-02 / CHEB/ 8.676e-03 1.004e-01 5.128e-02 1.426e-02 / CHEB/ 2.926e-03 2.849e-02 1.770e-02 7.920e-03 / CHEB/ -8.751e-03 -8.375e-03 -1.671e-03 1.903e-03 /

3528.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+2.0	+2.5	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+1.8	+2.4	+2.7

Chebyshev(coeffs=[[7.34982,-0.477116,-0.276143,-0.107456],[0.93096,0.200245,0.111058,0.0379745],[0.285432,0.118502,0.0632207,0.0202465],[0.106425,0.0744086,0.0395673,0.0124988],[0.0220262,0.0075291,0.00656822,0.00438148],[-0.00624489,-0.0142503,-0.00548576,0.000108779]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -74.75
S298 (cal/mol*K) = -53.59
G298 (kcal/mol) = -58.78

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(457); C2H4(72), C7H11(457); C5H7(210)+C2H4(72)(+M)=>C7H11(457)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.350e+00 -4.771e-01 -2.761e-01 -1.075e-01 / CHEB/ 9.310e-01 2.002e-01 1.111e-01 3.797e-02 / CHEB/ 2.854e-01 1.185e-01 6.322e-02 2.025e-02 / CHEB/ 1.064e-01 7.441e-02 3.957e-02 1.250e-02 / CHEB/ 2.203e-02 7.529e-03 6.568e-03 4.381e-03 / CHEB/ -6.245e-03 -1.425e-02 -5.486e-03 1.088e-04 /

3529.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+2.3	+2.2	+2.1
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+2.1	+2.0	+2.0

Chebyshev(coeffs=[[8.02939,-0.518413,-0.296998,-0.112929],[0.023812,0.173039,0.0963806,0.0330069],[-0.0671597,0.128309,0.0662649,0.0191853],[0.00361919,0.0913596,0.0461055,0.0123804],[0.00216375,0.0172862,0.0107607,0.00484253],[-0.00691258,-0.0118789,-0.00380343,0.000966323]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -85.30
S298 (cal/mol*K) = -50.50
G298 (kcal/mol) = -70.25

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(458); C2H4(72), C7H11(458); C5H7(210)+C2H4(72)(+M)=>C7H11(458)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.029e+00 -5.184e-01 -2.970e-01 -1.129e-01 / CHEB/ 2.381e-02 1.730e-01 9.638e-02 3.301e-02 / CHEB/ -6.716e-02 1.283e-01 6.626e-02 1.919e-02 / CHEB/ 3.619e-03 9.136e-02 4.611e-02 1.238e-02 / CHEB/ 2.164e-03 1.729e-02 1.076e-02 4.843e-03 / CHEB/ -6.913e-03 -1.188e-02 -3.803e-03 9.663e-04 /

3530.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+2.2	+1.9	+1.3
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+2.8	+2.7	+2.3

Chebyshev(coeffs=[[7.6908,1.32597,-0.391765,-0.154165],[-0.129987,0.249336,0.144414,0.0547125],[-0.0446059,0.110656,0.0569832,0.0167933],[-0.0891069,0.110178,0.0550046,0.0141985],[-0.120795,0.0383737,0.0222047,0.00874792],[-0.0826386,-0.00294141,0.00121266,0.00281645]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -74.75
S298 (cal/mol*K) = -53.59
G298 (kcal/mol) = -58.78

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(459); C2H4(72), C7H11(459); C5H7(210)+C2H4(72)(+M)=>C7H11(459)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.691e+00 1.326e+00 -3.918e-01 -1.542e-01 / CHEB/ -1.300e-01 2.493e-01 1.444e-01 5.471e-02 / CHEB/ -4.461e-02 1.107e-01 5.698e-02 1.679e-02 / CHEB/ -8.911e-02 1.102e-01 5.500e-02 1.420e-02 / CHEB/ -1.208e-01 3.837e-02 2.220e-02 8.748e-03 / CHEB/ -8.264e-02 -2.941e-03 1.213e-03 2.816e-03 /

3531.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+4.0	+3.7	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+3.9	+3.7	+3.5	+3.4

Chebyshev(coeffs=[[9.77941,-0.542637,-0.302895,-0.11072],[-0.224604,0.1657,0.0917466,0.0319175],[-0.162642,0.129356,0.0656089,0.0183675],[-0.0292587,0.0970465,0.0466942,0.0111639],[-0.00826385,0.0215861,0.0115423,0.0040197],[-0.00984636,-0.0100149,-0.0033844,0.000631261]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -99.00
S298 (cal/mol*K) = -59.21
G298 (kcal/mol) = -81.36

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(460); C2H4(72), C7H11(460); C5H7(210)+C2H4(72)(+M)=>C7H11(460)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.779e+00 -5.426e-01 -3.029e-01 -1.107e-01 / CHEB/ -2.246e-01 1.657e-01 9.175e-02 3.192e-02 / CHEB/ -1.626e-01 1.294e-01 6.561e-02 1.837e-02 / CHEB/ -2.926e-02 9.705e-02 4.669e-02 1.116e-02 / CHEB/ -8.264e-03 2.159e-02 1.154e-02 4.020e-03 / CHEB/ -9.846e-03 -1.001e-02 -3.384e-03 6.313e-04 /

3532.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	-1.1	+0.2	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-3.6	-1.3	+0.1	+0.9

Chebyshev(coeffs=[[3.24077,-0.418926,-0.247118,-0.100352],[2.67414,0.210865,0.117301,0.0406896],[0.764491,0.0901859,0.0507746,0.0187848],[0.192304,0.054393,0.0312838,0.0120043],[0.0283646,0.00270544,0.00427109,0.00393628],[-0.00779386,-0.0118366,-0.00517141,-0.000580079]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.08
S298 (cal/mol*K) = -31.35
G298 (kcal/mol) = -2.74

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(461); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(461)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.241e+00 -4.189e-01 -2.471e-01 -1.004e-01 / CHEB/ 2.674e+00 2.109e-01 1.173e-01 4.069e-02 / CHEB/ 7.645e-01 9.019e-02 5.077e-02 1.878e-02 / CHEB/ 1.923e-01 5.439e-02 3.128e-02 1.200e-02 / CHEB/ 2.836e-02 2.705e-03 4.271e-03 3.936e-03 / CHEB/ -7.794e-03 -1.184e-02 -5.171e-03 -5.801e-04 /

3533.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-3.7	-1.3	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-3.8	-1.4	+0.0

Chebyshev(coeffs=[[-2.11047,-0.268428,-0.168571,-0.0778795],[7.09563,0.109706,0.0661308,0.0280016],[0.788778,0.0649073,0.0389183,0.01635],[0.203579,0.0418856,0.0260573,0.0117506],[0.0226307,0.00330536,0.00348458,0.00281405],[-0.0101345,-0.00784643,-0.00412348,-0.00118445]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.80
S298 (cal/mol*K) = -19.83
G298 (kcal/mol) = 21.70

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(462); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(462)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.110e+00 -2.684e-01 -1.686e-01 -7.788e-02 / CHEB/ 7.096e+00 1.097e-01 6.613e-02 2.800e-02 / CHEB/ 7.888e-01 6.491e-02 3.892e-02 1.635e-02 / CHEB/ 2.036e-01 4.189e-02 2.606e-02 1.175e-02 / CHEB/ 2.263e-02 3.305e-03 3.485e-03 2.814e-03 / CHEB/ -1.013e-02 -7.846e-03 -4.123e-03 -1.184e-03 /

3534.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-3.6	-1.3	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-3.8	-1.4	-0.0

Chebyshev(coeffs=[[-2.03493,-0.267163,-0.167868,-0.0776358],[7.01289,0.108756,0.0656096,0.027828],[0.75778,0.064755,0.0388487,0.0163385],[0.195184,0.0418218,0.0260271,0.0117458],[0.0199361,0.00330978,0.00347759,0.00280387],[-0.0111133,-0.00782215,-0.00411549,-0.00118659]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.80
S298 (cal/mol*K) = -19.37
G298 (kcal/mol) = 21.57

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(463); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(463)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.035e+00 -2.672e-01 -1.679e-01 -7.764e-02 / CHEB/ 7.013e+00 1.088e-01 6.561e-02 2.783e-02 / CHEB/ 7.578e-01 6.475e-02 3.885e-02 1.634e-02 / CHEB/ 1.952e-01 4.182e-02 2.603e-02 1.175e-02 / CHEB/ 1.994e-02 3.310e-03 3.478e-03 2.804e-03 / CHEB/ -1.111e-02 -7.822e-03 -4.115e-03 -1.187e-03 /

3535.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-2.9	-1.0	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-3.1	-1.1	+0.0

Chebyshev(coeffs=[[0.184713,-0.350544,-0.212423,-0.0914035],[4.6903,0.175332,0.100368,0.0376391],[0.931785,0.0706728,0.0414375,0.0167491],[0.187677,0.0470041,0.0283128,0.011955],[0.0101735,0.0031516,0.0040073,0.00347364],[-0.0130054,-0.00952871,-0.00462805,-0.000989903]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.10
S298 (cal/mol*K) = -28.08
G298 (kcal/mol) = 10.46

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(78); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.847e-01 -3.505e-01 -2.124e-01 -9.140e-02 / CHEB/ 4.690e+00 1.753e-01 1.004e-01 3.764e-02 / CHEB/ 9.318e-01 7.067e-02 4.144e-02 1.675e-02 / CHEB/ 1.877e-01 4.700e-02 2.831e-02 1.195e-02 / CHEB/ 1.017e-02 3.152e-03 4.007e-03 3.474e-03 / CHEB/ -1.301e-02 -9.529e-03 -4.628e-03 -9.899e-04 /

3536.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-6.3	-3.3	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-6.4	-3.4	-1.7

Chebyshev(coeffs=[[-6.51607,-0.210715,-0.135632,-0.065614],[9.85618,0.0687337,0.0429379,0.0195668],[0.703737,0.0563841,0.0347883,0.015458],[0.21338,0.0383007,0.0242397,0.0113199],[0.0316824,0.00367019,0.00328126,0.00239723],[-0.00757214,-0.00661817,-0.00366263,-0.00122962]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.35
S298 (cal/mol*K) = -22.46
G298 (kcal/mol) = 33.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(464); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(464)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.516e+00 -2.107e-01 -1.356e-01 -6.561e-02 / CHEB/ 9.856e+00 6.873e-02 4.294e-02 1.957e-02 / CHEB/ 7.037e-01 5.638e-02 3.479e-02 1.546e-02 / CHEB/ 2.134e-01 3.830e-02 2.424e-02 1.132e-02 / CHEB/ 3.168e-02 3.670e-03 3.281e-03 2.397e-03 / CHEB/ -7.572e-03 -6.618e-03 -3.663e-03 -1.230e-03 /

3537.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-5.5	-2.5	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-5.6	-2.6	-1.0

Chebyshev(coeffs=[[-5.82861,-0.256615,-0.165873,-0.080868],[9.9623,0.0991648,0.0624239,0.028857],[0.676784,0.0493867,0.0307182,0.0139186],[0.189655,0.0423646,0.0266869,0.0123418],[0.0180994,0.00935826,0.00703419,0.00429416],[-0.0175112,-0.00410456,-0.00197923,-0.000355163]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.35
S298 (cal/mol*K) = -22.46
G298 (kcal/mol) = 33.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(465); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(465)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.829e+00 -2.566e-01 -1.659e-01 -8.087e-02 / CHEB/ 9.962e+00 9.916e-02 6.242e-02 2.886e-02 / CHEB/ 6.768e-01 4.939e-02 3.072e-02 1.392e-02 / CHEB/ 1.897e-01 4.236e-02 2.669e-02 1.234e-02 / CHEB/ 1.810e-02 9.358e-03 7.034e-03 4.294e-03 / CHEB/ -1.751e-02 -4.105e-03 -1.979e-03 -3.552e-04 /

3538.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	-0.3	-0.5	-0.9
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+0.4	+0.3	+0.0

Chebyshev(coeffs=[[5.30845,1.48181,-0.296239,-0.112081],[-0.119248,0.173311,0.0973915,0.0341782],[0.014159,0.129944,0.0671998,0.0195618],[-0.0317294,0.0926052,0.0464826,0.0122617],[-0.0981283,0.0173754,0.0104755,0.00446194],[-0.0769625,-0.0125621,-0.00438262,0.00058088]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.43
S298 (cal/mol*K) = -59.01
G298 (kcal/mol) = -45.85

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(319); C2H4(72), C7H11(319); C5H7(210)+C2H4(72)(+M)=>C7H11(319)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.308e+00 1.482e+00 -2.962e-01 -1.121e-01 / CHEB/ -1.192e-01 1.733e-01 9.739e-02 3.418e-02 / CHEB/ 1.416e-02 1.299e-01 6.720e-02 1.956e-02 / CHEB/ -3.173e-02 9.261e-02 4.648e-02 1.226e-02 / CHEB/ -9.813e-02 1.738e-02 1.048e-02 4.462e-03 / CHEB/ -7.696e-02 -1.256e-02 -4.383e-03 5.809e-04 /

3539.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-2.4	-0.4	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-2.5	-0.4	+0.8

Chebyshev(coeffs=[[0.0099791,-0.30305,-0.187476,-0.084125],[5.75046,0.136753,0.0806539,0.0325236],[0.807401,0.067968,0.0402429,0.0165101],[0.187029,0.0437728,0.0269279,0.0118688],[0.0171156,0.00324697,0.00370787,0.00309704],[-0.0114237,-0.00852667,-0.00434064,-0.00111858]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.73
S298 (cal/mol*K) = -20.69
G298 (kcal/mol) = 7.89

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(318); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(318)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.979e-03 -3.030e-01 -1.875e-01 -8.412e-02 / CHEB/ 5.750e+00 1.368e-01 8.065e-02 3.252e-02 / CHEB/ 8.074e-01 6.797e-02 4.024e-02 1.651e-02 / CHEB/ 1.870e-01 4.377e-02 2.693e-02 1.187e-02 / CHEB/ 1.712e-02 3.247e-03 3.708e-03 3.097e-03 / CHEB/ -1.142e-02 -8.527e-03 -4.341e-03 -1.119e-03 /

3540.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.7	-7.2	-4.1	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-7.3	-4.1	-2.4

Chebyshev(coeffs=[[-7.64743,-0.203502,-0.131355,-0.0638709],[10.2892,0.0663384,0.0415744,0.0190647],[0.731886,0.0546624,0.0338902,0.0152049],[0.227638,0.0371904,0.0236288,0.0111198],[0.0418576,0.00341257,0.00308262,0.00227913],[-0.00440305,-0.0064968,-0.00363005,-0.00125187]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.55
S298 (cal/mol*K) = -25.80
G298 (kcal/mol) = 35.23

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(466); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(466)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.647e+00 -2.035e-01 -1.314e-01 -6.387e-02 / CHEB/ 1.029e+01 6.634e-02 4.157e-02 1.906e-02 / CHEB/ 7.319e-01 5.466e-02 3.389e-02 1.520e-02 / CHEB/ 2.276e-01 3.719e-02 2.363e-02 1.112e-02 / CHEB/ 4.186e-02 3.413e-03 3.083e-03 2.279e-03 / CHEB/ -4.403e-03 -6.497e-03 -3.630e-03 -1.252e-03 /

3587.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+4.1	+4.6	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+4.0	+4.9	+4.9

Chebyshev(coeffs=[[8.04175,-0.623347,-0.193856,-0.00580646],[2.26701,1.3326,0.0211069,0.0215822],[0.320088,0.469733,-0.0645084,-0.0609739],[-0.227044,0.134961,-0.00142092,-0.0245715],[-0.222041,0.0662789,0.0259016,0.0159335],[-0.109583,0.0195209,-0.000523135,0.0125927]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -82.77
S298 (cal/mol*K) = -20.55
G298 (kcal/mol) = -76.65

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(496); H(25), C7H10(496); C7H9(5)+H(25)(+M)=>C7H10(496)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.042e+00 -6.233e-01 -1.939e-01 -5.806e-03 / CHEB/ 2.267e+00 1.333e+00 2.111e-02 2.158e-02 / CHEB/ 3.201e-01 4.697e-01 -6.451e-02 -6.097e-02 / CHEB/ -2.270e-01 1.350e-01 -1.421e-03 -2.457e-02 / CHEB/ -2.220e-01 6.628e-02 2.590e-02 1.593e-02 / CHEB/ -1.096e-01 1.952e-02 -5.231e-04 1.259e-02 /

3588.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-0.2	+1.8	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-0.9	+1.4	+2.1

Chebyshev(coeffs=[[-2.4974,-2.02421,-0.3128,0.0148405],[11.3979,1.32691,-0.0384331,-0.0906796],[-0.159306,0.456162,0.126802,-0.00947368],[-0.392846,0.0100453,0.0613444,0.0149879],[-0.172015,-0.0663677,0.00259026,0.00800396],[-0.0167819,-0.0278658,-0.011304,0.000147195]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.78
S298 (cal/mol*K) = 28.93
G298 (kcal/mol) = 24.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H7(497); H(25), CH3(423); C7H9(5)+H(25)(+M)=>C6H7(497)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.497e+00 -2.024e+00 -3.128e-01 1.484e-02 / CHEB/ 1.140e+01 1.327e+00 -3.843e-02 -9.068e-02 / CHEB/ -1.593e-01 4.562e-01 1.268e-01 -9.474e-03 / CHEB/ -3.928e-01 1.005e-02 6.134e-02 1.499e-02 / CHEB/ -1.720e-01 -6.637e-02 2.590e-03 8.004e-03 / CHEB/ -1.678e-02 -2.787e-02 -1.130e-02 1.472e-04 /

3589.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-4.6	-2.1	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-15.9	-5.2	-2.3	-1.3

Chebyshev(coeffs=[[-8.03546,-1.91263,-0.357606,0.0100596],[13.3525,1.34876,0.0320401,-0.0949036],[-0.144748,0.396591,0.132996,-0.00122558],[-0.335897,-0.0323734,0.049054,0.0175477],[-0.133781,-0.0725917,-0.00517168,0.007482],[-0.00824394,-0.0210338,-0.0113516,-9.42676e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.92
S298 (cal/mol*K) = 18.98
G298 (kcal/mol) = 34.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(498); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(498)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.035e+00 -1.913e+00 -3.576e-01 1.006e-02 / CHEB/ 1.335e+01 1.349e+00 3.204e-02 -9.490e-02 / CHEB/ -1.447e-01 3.966e-01 1.330e-01 -1.226e-03 / CHEB/ -3.359e-01 -3.237e-02 4.905e-02 1.755e-02 / CHEB/ -1.338e-01 -7.259e-02 -5.172e-03 7.482e-03 / CHEB/ -8.244e-03 -2.103e-02 -1.135e-02 -9.427e-05 /

3590.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-2.5	+0.2	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-2.9	+0.0	+1.1

Chebyshev(coeffs=[[-6.95151,-1.68249,-0.419728,-0.00644233],[14.9427,1.29595,0.144896,-0.0878982],[-0.391286,0.287763,0.131505,0.0122035],[-0.337759,-0.0813689,0.0233174,0.0202804],[-0.119068,-0.0639648,-0.0148774,0.00477796],[-0.0168316,-0.00520525,-0.00833493,-0.00144847]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.07
S298 (cal/mol*K) = 35.00
G298 (kcal/mol) = 37.65

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(99); H(25), C3H5(489); C7H9(5)+H(25)(+M)=>C4H5(99)+C3H5(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.952e+00 -1.682e+00 -4.197e-01 -6.442e-03 / CHEB/ 1.494e+01 1.296e+00 1.449e-01 -8.790e-02 / CHEB/ -3.913e-01 2.878e-01 1.315e-01 1.220e-02 / CHEB/ -3.378e-01 -8.137e-02 2.332e-02 2.028e-02 / CHEB/ -1.191e-01 -6.396e-02 -1.488e-02 4.778e-03 / CHEB/ -1.683e-02 -5.205e-03 -8.335e-03 -1.448e-03 /

3591.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	+0.2	+3.1	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-0.5	+2.9	+4.6

Chebyshev(coeffs=[[-0.782881,-1.97447,-0.194833,0.0332228],[10.5648,1.41723,-0.057185,-0.0782771],[0.729923,0.562469,0.112321,-0.0278857],[0.0142786,0.0324212,0.0535208,0.0049751],[0.0134866,-0.105222,0.00207766,0.0108965],[0.0527649,-0.0865497,-0.0131684,0.00780093]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.69
S298 (cal/mol*K) = 19.63
G298 (kcal/mol) = 17.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(499); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(499)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.829e-01 -1.974e+00 -1.948e-01 3.322e-02 / CHEB/ 1.056e+01 1.417e+00 -5.718e-02 -7.828e-02 / CHEB/ 7.299e-01 5.625e-01 1.123e-01 -2.789e-02 / CHEB/ 1.428e-02 3.242e-02 5.352e-02 4.975e-03 / CHEB/ 1.349e-02 -1.052e-01 2.078e-03 1.090e-02 / CHEB/ 5.276e-02 -8.655e-02 -1.317e-02 7.801e-03 /

3592.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-2.5	+0.2	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-2.9	+0.0	+1.1

Chebyshev(coeffs=[[-6.95153,-1.68249,-0.419727,-0.00644194],[14.9427,1.29595,0.144895,-0.0878984],[-0.391281,0.287765,0.131506,0.0122033],[-0.337759,-0.0813684,0.0233179,0.0202803],[-0.119067,-0.0639651,-0.0148773,0.00477803],[-0.0168313,-0.00520552,-0.00833501,-0.00144844]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.07
S298 (cal/mol*K) = 35.00
G298 (kcal/mol) = 37.65

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(494); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C2H3(100)+C5H7(494)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.952e+00 -1.682e+00 -4.197e-01 -6.442e-03 / CHEB/ 1.494e+01 1.296e+00 1.449e-01 -8.790e-02 / CHEB/ -3.913e-01 2.878e-01 1.315e-01 1.220e-02 / CHEB/ -3.378e-01 -8.137e-02 2.332e-02 2.028e-02 / CHEB/ -1.191e-01 -6.397e-02 -1.488e-02 4.778e-03 / CHEB/ -1.683e-02 -5.206e-03 -8.335e-03 -1.448e-03 /

3593.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-1.3	+2.1	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-1.8	+1.9	+3.9

Chebyshev(coeffs=[[-3.39108,-1.90696,-0.236002,0.0293124],[12.4158,1.48417,0.00413089,-0.0802291],[0.70947,0.482604,0.116686,-0.0214847],[0.0679628,-0.0324708,0.0421924,0.00845419],[0.0359885,-0.117914,-0.00481909,0.0130011],[0.0340216,-0.0677061,-0.0132459,0.00755797]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.72
S298 (cal/mol*K) = 17.88
G298 (kcal/mol) = 25.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(500); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(500)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.391e+00 -1.907e+00 -2.360e-01 2.931e-02 / CHEB/ 1.242e+01 1.484e+00 4.131e-03 -8.023e-02 / CHEB/ 7.095e-01 4.826e-01 1.167e-01 -2.148e-02 / CHEB/ 6.796e-02 -3.247e-02 4.219e-02 8.454e-03 / CHEB/ 3.599e-02 -1.179e-01 -4.819e-03 1.300e-02 / CHEB/ 3.402e-02 -6.771e-02 -1.325e-02 7.558e-03 /

3594.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-1.2	+2.1	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-1.7	+2.0	+3.9

Chebyshev(coeffs=[[-3.21196,-1.87403,-0.26001,0.0242878],[12.2661,1.43476,0.0120772,-0.0810134],[0.673794,0.472713,0.130219,-0.0143634],[0.0731234,-0.0151226,0.048508,0.0106046],[0.0399895,-0.105185,-0.00526262,0.0107847],[0.0290642,-0.069423,-0.0150028,0.00578521]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.72
S298 (cal/mol*K) = 17.88
G298 (kcal/mol) = 25.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(501); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(501)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.212e+00 -1.874e+00 -2.600e-01 2.429e-02 / CHEB/ 1.227e+01 1.435e+00 1.208e-02 -8.101e-02 / CHEB/ 6.738e-01 4.727e-01 1.302e-01 -1.436e-02 / CHEB/ 7.312e-02 -1.512e-02 4.851e-02 1.060e-02 / CHEB/ 3.999e-02 -1.052e-01 -5.263e-03 1.078e-02 / CHEB/ 2.906e-02 -6.942e-02 -1.500e-02 5.785e-03 /

3595.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-0.4	+2.5	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-1.0	+2.3	+4.1

Chebyshev(coeffs=[[-1.72377,-1.92228,-0.230733,0.0294373],[11.0659,1.40627,-0.0257424,-0.0797386],[0.624279,0.509946,0.122644,-0.0204595],[0.0351576,0.0224772,0.0527492,0.00660725],[0.0247844,-0.0937883,-0.000545402,0.00879436],[0.0431363,-0.0771515,-0.0142499,0.00617923]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.89
S298 (cal/mol*K) = 19.74
G298 (kcal/mol) = 21.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(502); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(502)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.724e+00 -1.922e+00 -2.307e-01 2.944e-02 / CHEB/ 1.107e+01 1.406e+00 -2.574e-02 -7.974e-02 / CHEB/ 6.243e-01 5.099e-01 1.226e-01 -2.046e-02 / CHEB/ 3.516e-02 2.248e-02 5.275e-02 6.607e-03 / CHEB/ 2.478e-02 -9.379e-02 -5.454e-04 8.794e-03 / CHEB/ 4.314e-02 -7.715e-02 -1.425e-02 6.179e-03 /

3596.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-4.0	-1.4	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-4.6	-1.6	-0.5

Chebyshev(coeffs=[[-7.83154,-1.86808,-0.372284,0.00762112],[13.9501,1.34601,0.0567,-0.0951176],[-0.147512,0.37446,0.133937,0.00171033],[-0.319803,-0.0452719,0.0441067,0.0183642],[-0.123523,-0.0726325,-0.00766212,0.0071226],[-0.00717451,-0.0178584,-0.0110614,-0.000323756]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.12
S298 (cal/mol*K) = 18.56
G298 (kcal/mol) = 36.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(503); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(503)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.832e+00 -1.868e+00 -3.723e-01 7.621e-03 / CHEB/ 1.395e+01 1.346e+00 5.670e-02 -9.512e-02 / CHEB/ -1.475e-01 3.745e-01 1.339e-01 1.710e-03 / CHEB/ -3.198e-01 -4.527e-02 4.411e-02 1.836e-02 / CHEB/ -1.235e-01 -7.263e-02 -7.662e-03 7.123e-03 / CHEB/ -7.175e-03 -1.786e-02 -1.106e-02 -3.238e-04 /

3597.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.0	+2.5	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-0.6	+2.3	+3.7

Chebyshev(coeffs=[[1.38495,-1.8857,-0.0673014,0.0120499],[7.06224,1.2724,-0.155975,-0.031395],[1.28297,0.586357,0.0428055,-0.0691411],[0.0378143,0.00174668,0.0375947,0.00789617],[-0.0561475,-0.114419,0.0147467,0.0243117],[0.00965508,-0.0627966,0.011356,0.006837]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.85
S298 (cal/mol*K) = -2.22
G298 (kcal/mol) = 2.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(504); H(25), C7H10(504); C7H9(5)+H(25)(+M)=>C7H10(504)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.385e+00 -1.886e+00 -6.730e-02 1.205e-02 / CHEB/ 7.062e+00 1.272e+00 -1.560e-01 -3.140e-02 / CHEB/ 1.283e+00 5.864e-01 4.281e-02 -6.914e-02 / CHEB/ 3.781e-02 1.747e-03 3.759e-02 7.896e-03 / CHEB/ -5.615e-02 -1.144e-01 1.475e-02 2.431e-02 / CHEB/ 9.655e-03 -6.280e-02 1.136e-02 6.837e-03 /

3598.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+1.4	+2.4	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-3.4	+0.3	+1.7	+2.5

Chebyshev(coeffs=[[4.78303,-2.13029,-0.117588,-0.0225329],[3.39702,0.818402,-0.245605,0.0377887],[0.492244,0.599844,0.00551398,-0.0666053],[-0.0918603,0.214358,0.109194,-0.0189185],[-0.0458313,0.0624124,0.0613734,0.0235316],[0.0217341,0.0315511,0.00637533,0.0099241]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.08
S298 (cal/mol*K) = -7.72
G298 (kcal/mol) = -11.78

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(491); H(25), C7H10(491); C7H9(5)+H(25)(+M)=>C7H10(491)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.783e+00 -2.130e+00 -1.176e-01 -2.253e-02 / CHEB/ 3.397e+00 8.184e-01 -2.456e-01 3.779e-02 / CHEB/ 4.922e-01 5.998e-01 5.514e-03 -6.661e-02 / CHEB/ -9.186e-02 2.144e-01 1.092e-01 -1.892e-02 / CHEB/ -4.583e-02 6.241e-02 6.137e-02 2.353e-02 / CHEB/ 2.173e-02 3.155e-02 6.375e-03 9.924e-03 /

3599.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	-0.7	+0.8	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-1.8	+0.3	+1.5

Chebyshev(coeffs=[[1.77145,-2.10684,-0.097629,-0.00129829],[5.00017,0.930098,-0.185366,0.0175768],[0.790378,0.716116,0.0750218,-0.0643265],[-0.0954622,0.304797,0.118561,-0.00303435],[-0.0517756,0.099938,0.0375363,0.0156474],[0.0701663,0.0214381,-0.0182126,-0.00750336]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.08
S298 (cal/mol*K) = -7.72
G298 (kcal/mol) = -11.78

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(487); H(25), C7H10(487); C7H9(5)+H(25)(+M)=>C7H10(487)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.771e+00 -2.107e+00 -9.763e-02 -1.298e-03 / CHEB/ 5.000e+00 9.301e-01 -1.854e-01 1.758e-02 / CHEB/ 7.904e-01 7.161e-01 7.502e-02 -6.433e-02 / CHEB/ -9.546e-02 3.048e-01 1.186e-01 -3.034e-03 / CHEB/ -5.178e-02 9.994e-02 3.754e-02 1.565e-02 / CHEB/ 7.017e-02 2.144e-02 -1.821e-02 -7.503e-03 /

3600.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+1.4	+3.0	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+0.4	+2.6	+4.2

Chebyshev(coeffs=[[4.83289,-2.02004,-0.0893031,-0.0109771],[4.11761,1.00163,-0.170115,0.0254133],[0.849201,0.717078,0.0657621,-0.0714805],[0.136727,0.26667,0.110819,-0.0157602],[0.0884479,0.0365678,0.0243311,0.0190862],[0.0795016,-0.0674969,-0.0370608,0.00451817]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.39
S298 (cal/mol*K) = -3.28
G298 (kcal/mol) = -9.41

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(486); H(25), C7H10(486); C7H9(5)+H(25)(+M)=>C7H10(486)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.833e+00 -2.020e+00 -8.930e-02 -1.098e-02 / CHEB/ 4.118e+00 1.002e+00 -1.701e-01 2.541e-02 / CHEB/ 8.492e-01 7.171e-01 6.576e-02 -7.148e-02 / CHEB/ 1.367e-01 2.667e-01 1.108e-01 -1.576e-02 / CHEB/ 8.845e-02 3.657e-02 2.433e-02 1.909e-02 / CHEB/ 7.950e-02 -6.750e-02 -3.706e-02 4.518e-03 /

3601.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+3.6	+4.4	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+2.4	+3.7	+4.1

Chebyshev(coeffs=[[6.63057,-2.12244,-0.0693543,-0.000119423],[3.59698,0.807859,-0.177686,0.0422178],[0.48141,0.550744,-0.019675,-0.081758],[-0.269348,0.245726,0.0825656,-0.0249232],[-0.215675,0.0972461,0.0481422,0.0197045],[-0.0547041,0.0228522,-0.0087202,0.0050962]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.31
S298 (cal/mol*K) = -8.42
G298 (kcal/mol) = -53.80

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(481); H(25), C7H10(481); C7H9(5)+H(25)(+M)=>C7H10(481)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.631e+00 -2.122e+00 -6.935e-02 -1.194e-04 / CHEB/ 3.597e+00 8.079e-01 -1.777e-01 4.222e-02 / CHEB/ 4.814e-01 5.507e-01 -1.968e-02 -8.176e-02 / CHEB/ -2.693e-01 2.457e-01 8.257e-02 -2.492e-02 / CHEB/ -2.157e-01 9.725e-02 4.814e-02 1.970e-02 / CHEB/ -5.470e-02 2.285e-02 -8.720e-03 5.096e-03 /

3602.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+2.2	+3.7	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+1.1	+3.1	+4.0

Chebyshev(coeffs=[[4.25906,-2.13322,-0.145256,-0.0157931],[5.22624,0.884672,-0.264681,-0.0221476],[0.74975,0.613196,0.0314538,-0.0793958],[-0.174857,0.185402,0.0874364,-0.00113515],[-0.121547,0.00950298,0.0256177,0.0211531],[0.0146616,-0.0260958,-0.00785405,0.00202771]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.31
S298 (cal/mol*K) = -0.62
G298 (kcal/mol) = -7.12

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(505); H(25), C7H10(505); C7H9(5)+H(25)(+M)=>C7H10(505)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.259e+00 -2.133e+00 -1.453e-01 -1.579e-02 / CHEB/ 5.226e+00 8.847e-01 -2.647e-01 -2.215e-02 / CHEB/ 7.497e-01 6.132e-01 3.145e-02 -7.940e-02 / CHEB/ -1.749e-01 1.854e-01 8.744e-02 -1.135e-03 / CHEB/ -1.215e-01 9.503e-03 2.562e-02 2.115e-02 / CHEB/ 1.466e-02 -2.610e-02 -7.854e-03 2.028e-03 /

3603.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+4.7	+6.3	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+3.7	+5.8	+6.3

Chebyshev(coeffs=[[4.09379,-2.15471,-0.21712,0.0274464],[8.65568,1.12648,-0.169126,-0.0820382],[0.271907,0.549516,0.101845,-0.0251021],[-0.394957,0.109335,0.0773123,0.0133024],[-0.235655,-0.0289464,0.0177918,0.00843804],[-0.0629797,-0.0258941,-0.00904809,-0.00191496]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.72
S298 (cal/mol*K) = 19.28
G298 (kcal/mol) = 7.97

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(506); H(25), C7H10(506); C7H9(5)+H(25)(+M)=>C7H10(506)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.094e+00 -2.155e+00 -2.171e-01 2.745e-02 / CHEB/ 8.656e+00 1.126e+00 -1.691e-01 -8.204e-02 / CHEB/ 2.719e-01 5.495e-01 1.018e-01 -2.510e-02 / CHEB/ -3.950e-01 1.093e-01 7.731e-02 1.330e-02 / CHEB/ -2.357e-01 -2.895e-02 1.779e-02 8.438e-03 / CHEB/ -6.298e-02 -2.589e-02 -9.048e-03 -1.915e-03 /

3604.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+4.7	+6.3	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+3.7	+5.8	+6.3

H298 (kcal/mol) = 13.72
S298 (cal/mol*K) = 19.28
G298 (kcal/mol) = 7.97

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(507); H(25), C7H10(507); C7H9(5)+H(25)(+M)=>C7H10(507)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.094e+00 -2.155e+00 -2.171e-01 2.745e-02 / CHEB/ 8.656e+00 1.126e+00 -1.691e-01 -8.204e-02 / CHEB/ 2.719e-01 5.495e-01 1.018e-01 -2.510e-02 / CHEB/ -3.950e-01 1.093e-01 7.731e-02 1.330e-02 / CHEB/ -2.357e-01 -2.895e-02 1.779e-02 8.438e-03 / CHEB/ -6.298e-02 -2.589e-02 -9.048e-03 -1.915e-03 /

3605.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+0.7	+1.3	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.5	+0.6	+0.5

Chebyshev(coeffs=[[2.99805,-2.20771,-0.132023,-0.00452104],[4.14036,0.749349,-0.246761,0.00703874],[0.31567,0.561316,0.0340302,-0.0673254],[-0.42877,0.194374,0.095166,0.000407567],[-0.290613,0.0386989,0.0332971,0.0219484],[-0.0937716,-0.000315324,-0.00780614,0.00102939]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -9.81

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(508); H(25), C7H10(508); C7H9(5)+H(25)(+M)=>C7H10(508)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.998e+00 -2.208e+00 -1.320e-01 -4.521e-03 / CHEB/ 4.140e+00 7.493e-01 -2.468e-01 7.039e-03 / CHEB/ 3.157e-01 5.613e-01 3.403e-02 -6.733e-02 / CHEB/ -4.288e-01 1.944e-01 9.517e-02 4.076e-04 / CHEB/ -2.906e-01 3.870e-02 3.330e-02 2.195e-02 / CHEB/ -9.377e-02 -3.153e-04 -7.806e-03 1.029e-03 /

3606.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-0.2	+1.3	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-1.2	+0.8	+1.2

Chebyshev(coeffs=[[-0.459163,-2.16338,-0.208945,0.0281849],[8.17659,1.09867,-0.17981,-0.0797664],[0.234884,0.553498,0.0982799,-0.0275645],[-0.406713,0.119223,0.0781996,0.0133474],[-0.237185,-0.0236947,0.0191245,0.00884201],[-0.046462,-0.0250658,-0.00853751,-0.0021292]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.43
S298 (cal/mol*K) = -3.54
G298 (kcal/mol) = 13.48

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(509); H(25), C7H10(509); C7H9(5)+H(25)(+M)=>C7H10(509)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.592e-01 -2.163e+00 -2.089e-01 2.818e-02 / CHEB/ 8.177e+00 1.099e+00 -1.798e-01 -7.977e-02 / CHEB/ 2.349e-01 5.535e-01 9.828e-02 -2.756e-02 / CHEB/ -4.067e-01 1.192e-01 7.820e-02 1.335e-02 / CHEB/ -2.372e-01 -2.369e-02 1.912e-02 8.842e-03 / CHEB/ -4.646e-02 -2.507e-02 -8.538e-03 -2.129e-03 /

3607.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+2.7	+3.5	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+2.6	+3.9	+4.2

Chebyshev(coeffs=[[6.66589,-0.131416,-0.0440005,-0.0236658],[2.56483,0.763154,-0.0973229,0.0725944],[0.536099,0.561607,-0.0480222,-0.0665716],[-0.142766,0.24949,0.01503,-0.0565869],[-0.213323,0.0918525,0.0181015,0.000298595],[-0.108342,0.0240239,-0.0114649,0.0136722]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.76
S298 (cal/mol*K) = -14.68
G298 (kcal/mol) = -47.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(510); H(25), C7H10(510); C7H9(5)+H(25)(+M)=>C7H10(510)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.666e+00 -1.314e-01 -4.400e-02 -2.367e-02 / CHEB/ 2.565e+00 7.632e-01 -9.732e-02 7.259e-02 / CHEB/ 5.361e-01 5.616e-01 -4.802e-02 -6.657e-02 / CHEB/ -1.428e-01 2.495e-01 1.503e-02 -5.659e-02 / CHEB/ -2.133e-01 9.185e-02 1.810e-02 2.986e-04 / CHEB/ -1.083e-01 2.402e-02 -1.146e-02 1.367e-02 /

3608.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+3.2	+4.2	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-0.0	+3.2	+4.6	+4.9

Chebyshev(coeffs=[[7.22133,-0.101169,-0.047041,-0.0301267],[2.60457,0.862239,-0.0814965,0.0731086],[0.569894,0.534546,-0.0779957,-0.0750638],[-0.110649,0.202836,-0.00463045,-0.0530472],[-0.197663,0.062943,0.0189389,0.00982218],[-0.10774,0.00849519,-0.00300695,0.0198066]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.71
S298 (cal/mol*K) = -12.83
G298 (kcal/mol) = -48.89

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(511); H(25), C7H10(511); C7H9(5)+H(25)(+M)=>C7H10(511)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.221e+00 -1.012e-01 -4.704e-02 -3.013e-02 / CHEB/ 2.605e+00 8.622e-01 -8.150e-02 7.311e-02 / CHEB/ 5.699e-01 5.345e-01 -7.800e-02 -7.506e-02 / CHEB/ -1.106e-01 2.028e-01 -4.630e-03 -5.305e-02 / CHEB/ -1.977e-01 6.294e-02 1.894e-02 9.822e-03 / CHEB/ -1.077e-01 8.495e-03 -3.007e-03 1.981e-02 /

3627.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	+1.5	+4.7	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-8.7	+1.2	+4.5	+6.0

Chebyshev(coeffs=[[-1.43456,-0.677162,-0.324504,-0.079277],[13.3071,0.336487,0.141621,0.0206971],[0.298475,0.179167,0.0774196,0.00864149],[-0.0201324,0.0800873,0.039444,0.00937049],[-0.0694776,0.00083608,0.00839834,0.00838106],[-0.0454958,-0.016305,-0.00273085,0.00380143]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.02
S298 (cal/mol*K) = 39.81
G298 (kcal/mol) = 20.16

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(512); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(512)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.435e+00 -6.772e-01 -3.245e-01 -7.928e-02 / CHEB/ 1.331e+01 3.365e-01 1.416e-01 2.070e-02 / CHEB/ 2.985e-01 1.792e-01 7.742e-02 8.641e-03 / CHEB/ -2.013e-02 8.009e-02 3.944e-02 9.370e-03 / CHEB/ -6.948e-02 8.361e-04 8.398e-03 8.381e-03 / CHEB/ -4.550e-02 -1.630e-02 -2.731e-03 3.801e-03 /

3628.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	+2.9	+5.7	+6.8
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+2.5	+5.5	+6.8

Chebyshev(coeffs=[[1.20376,-0.829459,-0.364613,-0.0671109],[11.361,0.457331,0.164836,0.00354964],[0.344787,0.189144,0.0797736,0.0075735],[-0.0228857,0.07868,0.0394599,0.00996018],[-0.0785755,0.00238165,0.0102397,0.00893013],[-0.0502233,-0.0148782,-0.0015095,0.00416086]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.82
S298 (cal/mol*K) = 50.70
G298 (kcal/mol) = 7.71

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H9(514); H(25), C#C(513); C7H10(1)+H(25)(+M)=>C5H9(514)+C#C(513)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.204e+00 -8.295e-01 -3.646e-01 -6.711e-02 / CHEB/ 1.136e+01 4.573e-01 1.648e-01 3.550e-03 / CHEB/ 3.448e-01 1.891e-01 7.977e-02 7.574e-03 / CHEB/ -2.289e-02 7.868e-02 3.946e-02 9.960e-03 / CHEB/ -7.858e-02 2.382e-03 1.024e-02 8.930e-03 / CHEB/ -5.022e-02 -1.488e-02 -1.509e-03 4.161e-03 /

3629.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+2.2	+4.8	+5.9
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+1.8	+4.6	+5.8

Chebyshev(coeffs=[[1.0931,-0.933416,-0.38097,-0.053401],[10.418,0.564219,0.176236,-0.0139226],[0.451623,0.18627,0.0821078,0.00914371],[-0.00424238,0.0738106,0.0389492,0.0111498],[-0.0745676,0.00242702,0.0108415,0.00910911],[-0.0493268,-0.0143747,-0.00117663,0.00419403]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.85
S298 (cal/mol*K) = 18.23
G298 (kcal/mol) = -8.28

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(515); H(25), C7H11(515); C7H10(1)+H(25)(+M)=>C7H11(515)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.093e+00 -9.334e-01 -3.810e-01 -5.340e-02 / CHEB/ 1.042e+01 5.642e-01 1.762e-01 -1.392e-02 / CHEB/ 4.516e-01 1.863e-01 8.211e-02 9.144e-03 / CHEB/ -4.242e-03 7.381e-02 3.895e-02 1.115e-02 / CHEB/ -7.457e-02 2.427e-03 1.084e-02 9.109e-03 / CHEB/ -4.933e-02 -1.437e-02 -1.177e-03 4.194e-03 /

3630.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+4.5	+4.6	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+4.4	+5.1	+5.0

Chebyshev(coeffs=[[7.79236,-0.731209,-0.295774,-0.0229588],[2.88953,1.67538,-0.029759,-0.0324379],[-0.139308,0.524954,0.0449058,-0.0192928],[-0.31013,0.140909,0.0349523,0.00488838],[-0.145729,0.04049,0.0217562,0.00128036],[-0.0390272,0.00898538,0.0203803,-0.000973241]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.59
S298 (cal/mol*K) = 15.21
G298 (kcal/mol) = -31.12

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(516); H(25), C7H11(516); C7H10(1)+H(25)(+M)=>C7H11(516)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.792e+00 -7.312e-01 -2.958e-01 -2.296e-02 / CHEB/ 2.890e+00 1.675e+00 -2.976e-02 -3.244e-02 / CHEB/ -1.393e-01 5.250e-01 4.491e-02 -1.929e-02 / CHEB/ -3.101e-01 1.409e-01 3.495e-02 4.888e-03 / CHEB/ -1.457e-01 4.049e-02 2.176e-02 1.280e-03 / CHEB/ -3.903e-02 8.985e-03 2.038e-02 -9.732e-04 /

3631.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+4.0	+5.4	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+3.9	+5.8	+6.3

Chebyshev(coeffs=[[4.98964,-0.756167,-0.475545,0.0051242],[6.42909,1.80397,-0.0407595,-0.102785],[0.278789,0.374935,0.139153,-0.0243574],[-0.120139,0.10846,0.0805077,0.00865461],[-0.14772,0.0242428,0.0323559,0.0124748],[-0.0839424,-0.0108516,0.00937998,0.00764796]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.40
S298 (cal/mol*K) = 19.94
G298 (kcal/mol) = -19.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(517); H(25), C7H11(517); C7H10(1)+H(25)(+M)=>C7H11(517)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.990e+00 -7.562e-01 -4.755e-01 5.124e-03 / CHEB/ 6.429e+00 1.804e+00 -4.076e-02 -1.028e-01 / CHEB/ 2.788e-01 3.749e-01 1.392e-01 -2.436e-02 / CHEB/ -1.201e-01 1.085e-01 8.051e-02 8.655e-03 / CHEB/ -1.477e-01 2.424e-02 3.236e-02 1.247e-02 / CHEB/ -8.394e-02 -1.085e-02 9.380e-03 7.648e-03 /

3632.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.6	-3.1	+2.0	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-19.9	-3.3	+2.0	+4.4

Chebyshev(coeffs=[[-12.55,-0.309679,-0.175773,-0.0653338],[23.2501,0.116613,0.0631479,0.0211521],[-0.122935,0.12363,0.0637222,0.0170093],[-0.108183,0.0518551,0.0287362,0.0099413],[-0.0785375,-0.0096495,-0.00078644,0.00400275],[-0.0439264,-0.0163284,-0.00617712,0.000582495]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.74
S298 (cal/mol*K) = 56.70
G298 (kcal/mol) = 56.84

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(74); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C3H5(98)+C4H6(74)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.255e+01 -3.097e-01 -1.758e-01 -6.533e-02 / CHEB/ 2.325e+01 1.166e-01 6.315e-02 2.115e-02 / CHEB/ -1.229e-01 1.236e-01 6.372e-02 1.701e-02 / CHEB/ -1.082e-01 5.186e-02 2.874e-02 9.941e-03 / CHEB/ -7.854e-02 -9.649e-03 -7.864e-04 4.003e-03 / CHEB/ -4.393e-02 -1.633e-02 -6.177e-03 5.825e-04 /

3633.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-1.2	+3.8	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-1.3	+3.7	+6.1

Chebyshev(coeffs=[[-9.42643,-0.354275,-0.197472,-0.0700382],[21.5931,0.134174,0.0717221,0.0229745],[0.0888489,0.135961,0.0674896,0.0156359],[-0.0546078,0.0591746,0.031917,0.0102211],[-0.0672253,-0.00807078,0.000926912,0.00521863],[-0.0399977,-0.0171112,-0.00586743,0.00128521]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.14
S298 (cal/mol*K) = 59.25
G298 (kcal/mol) = 49.48

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H7(518); H(25), C3H4(73); C7H10(1)+H(25)(+M)=>C4H7(518)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.426e+00 -3.543e-01 -1.975e-01 -7.004e-02 / CHEB/ 2.159e+01 1.342e-01 7.172e-02 2.297e-02 / CHEB/ 8.885e-02 1.360e-01 6.749e-02 1.564e-02 / CHEB/ -5.461e-02 5.917e-02 3.192e-02 1.022e-02 / CHEB/ -6.723e-02 -8.071e-03 9.269e-04 5.219e-03 / CHEB/ -4.000e-02 -1.711e-02 -5.867e-03 1.285e-03 /

3634.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.8	-9.9	-2.9	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-31.9	-10.0	-3.0	+0.3

Chebyshev(coeffs=[[-24.1499,-0.201467,-0.123821,-0.0543981],[30.7785,0.0673902,0.0411094,0.0177118],[-0.105116,0.087122,0.050149,0.0187871],[-0.106379,0.036918,0.0217747,0.00872024],[-0.0753118,-0.0083574,-0.00301572,0.000672117],[-0.0424352,-0.0123949,-0.00601298,-0.00113687]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.80
S298 (cal/mol*K) = 50.13
G298 (kcal/mol) = 82.87

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(111); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.415e+01 -2.015e-01 -1.238e-01 -5.440e-02 / CHEB/ 3.078e+01 6.739e-02 4.111e-02 1.771e-02 / CHEB/ -1.051e-01 8.712e-02 5.015e-02 1.879e-02 / CHEB/ -1.064e-01 3.692e-02 2.177e-02 8.720e-03 / CHEB/ -7.531e-02 -8.357e-03 -3.016e-03 6.721e-04 / CHEB/ -4.244e-02 -1.239e-02 -6.013e-03 -1.137e-03 /

3635.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.4	-7.8	-1.5	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-27.6	-7.9	-1.6	+1.4

Chebyshev(coeffs=[[-19.8476,-0.242883,-0.14449,-0.0591914],[27.4015,0.0915293,0.0536409,0.0211303],[0.0241733,0.104574,0.0570725,0.018447],[-0.087879,0.0414181,0.0239627,0.0092115],[-0.0886088,-0.0112748,-0.00321396,0.00195104],[-0.0456253,-0.0150487,-0.00666143,-0.000592215]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.61
S298 (cal/mol*K) = 44.02
G298 (kcal/mol) = 71.50

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(115); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.985e+01 -2.429e-01 -1.445e-01 -5.919e-02 / CHEB/ 2.740e+01 9.153e-02 5.364e-02 2.113e-02 / CHEB/ 2.417e-02 1.046e-01 5.707e-02 1.845e-02 / CHEB/ -8.788e-02 4.142e-02 2.396e-02 9.211e-03 / CHEB/ -8.861e-02 -1.127e-02 -3.214e-03 1.951e-03 / CHEB/ -4.563e-02 -1.505e-02 -6.661e-03 -5.922e-04 /

3636.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.7	-8.6	-1.6	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-30.8	-8.7	-1.6	+1.6

Chebyshev(coeffs=[[-23.1065,-0.176933,-0.109889,-0.0493701],[31.1764,0.0671603,0.0415874,0.0185188],[-0.201211,0.0812012,0.0473471,0.0183405],[-0.136178,0.030768,0.0186316,0.00793946],[-0.0843892,-0.0113045,-0.00486157,-0.000151448],[-0.0444493,-0.0128977,-0.00658562,-0.0016248]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.68
S298 (cal/mol*K) = 59.30
G298 (kcal/mol) = 82.01

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H9(514); H(25), C2H2(519); C7H10(1)+H(25)(+M)=>C2H2(519)+C5H9(514)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.311e+01 -1.769e-01 -1.099e-01 -4.937e-02 / CHEB/ 3.118e+01 6.716e-02 4.159e-02 1.852e-02 / CHEB/ -2.012e-01 8.120e-02 4.735e-02 1.834e-02 / CHEB/ -1.362e-01 3.077e-02 1.863e-02 7.939e-03 / CHEB/ -8.439e-02 -1.130e-02 -4.862e-03 -1.514e-04 / CHEB/ -4.445e-02 -1.290e-02 -6.586e-03 -1.625e-03 /

3637.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.4	-6.1	-0.0	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-24.6	-6.2	-0.1	+2.9

Chebyshev(coeffs=[[-16.8654,-0.27229,-0.1587,-0.0621346],[25.6639,0.11156,0.0634808,0.0233734],[0.196122,0.114208,0.0608628,0.018279],[-0.0214906,0.044088,0.0253029,0.00956318],[-0.0511369,-0.0125863,-0.00315556,0.00266042],[-0.0347154,-0.0165018,-0.00704265,-0.000351606]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.01
S298 (cal/mol*K) = 45.19
G298 (kcal/mol) = 64.55

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(114); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.687e+01 -2.723e-01 -1.587e-01 -6.213e-02 / CHEB/ 2.566e+01 1.116e-01 6.348e-02 2.337e-02 / CHEB/ 1.961e-01 1.142e-01 6.086e-02 1.828e-02 / CHEB/ -2.149e-02 4.409e-02 2.530e-02 9.563e-03 / CHEB/ -5.114e-02 -1.259e-02 -3.156e-03 2.660e-03 / CHEB/ -3.472e-02 -1.650e-02 -7.043e-03 -3.516e-04 /

3638.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.4	-13.2	-5.4	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-37.5	-13.2	-5.4	-1.7

Chebyshev(coeffs=[[-29.5186,-0.148346,-0.0938904,-0.0438378],[34.1129,0.0568408,0.0359961,0.0167974],[-0.0839064,0.0701168,0.0421132,0.0175198],[-0.103871,0.0260747,0.0161251,0.00718502],[-0.0726205,-0.0108356,-0.00524448,-0.000930704],[-0.0394272,-0.0117187,-0.00634698,-0.00196207]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 108.35
S298 (cal/mol*K) = 47.04
G298 (kcal/mol) = 94.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(520); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(520)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.952e+01 -1.483e-01 -9.389e-02 -4.384e-02 / CHEB/ 3.411e+01 5.684e-02 3.600e-02 1.680e-02 / CHEB/ -8.391e-02 7.012e-02 4.211e-02 1.752e-02 / CHEB/ -1.039e-01 2.607e-02 1.613e-02 7.185e-03 / CHEB/ -7.262e-02 -1.084e-02 -5.244e-03 -9.307e-04 / CHEB/ -3.943e-02 -1.172e-02 -6.347e-03 -1.962e-03 /

3639.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.0	-12.6	-4.7	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-37.1	-12.6	-4.7	-1.0

Chebyshev(coeffs=[[-29.0418,-0.147497,-0.0933989,-0.0436507],[34.2914,0.0569192,0.0360588,0.0168393],[-0.0355811,0.0697152,0.0419171,0.0174821],[-0.113987,0.0258534,0.0160059,0.00714865],[-0.0974788,-0.0108178,-0.00525547,-0.00095593],[-0.0469285,-0.0116755,-0.00634011,-0.00197744]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 108.35
S298 (cal/mol*K) = 47.04
G298 (kcal/mol) = 94.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(521); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(521)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.904e+01 -1.475e-01 -9.340e-02 -4.365e-02 / CHEB/ 3.429e+01 5.692e-02 3.606e-02 1.684e-02 / CHEB/ -3.558e-02 6.972e-02 4.192e-02 1.748e-02 / CHEB/ -1.140e-01 2.585e-02 1.601e-02 7.149e-03 / CHEB/ -9.748e-02 -1.082e-02 -5.255e-03 -9.559e-04 / CHEB/ -4.693e-02 -1.168e-02 -6.340e-03 -1.977e-03 /

3640.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.3	-12.6	-4.7	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-37.5	-12.7	-4.7	-0.9

Chebyshev(coeffs=[[-29.4262,-0.141294,-0.0898448,-0.0423402],[34.8292,0.0542699,0.0345535,0.0163012],[-0.0683524,0.0672962,0.0407153,0.017225],[-0.0998073,0.0249061,0.0154835,0.00697466],[-0.0709395,-0.0106722,-0.00530036,-0.00110066],[-0.0385504,-0.0113985,-0.00626111,-0.00202732]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 110.55
S298 (cal/mol*K) = 45.24
G298 (kcal/mol) = 97.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(36); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.943e+01 -1.413e-01 -8.984e-02 -4.234e-02 / CHEB/ 3.483e+01 5.427e-02 3.455e-02 1.630e-02 / CHEB/ -6.835e-02 6.730e-02 4.072e-02 1.723e-02 / CHEB/ -9.981e-02 2.491e-02 1.548e-02 6.975e-03 / CHEB/ -7.094e-02 -1.067e-02 -5.300e-03 -1.101e-03 / CHEB/ -3.855e-02 -1.140e-02 -6.261e-03 -2.027e-03 /

3641.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-45.4	-17.4	-8.4	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-45.5	-17.5	-8.4	-4.1

Chebyshev(coeffs=[[-37.2037,-0.0962852,-0.0630596,-0.0314586],[39.4263,0.0377128,0.0248037,0.0124645],[-0.119193,0.0483081,0.0306089,0.0143048],[-0.117556,0.0172207,0.0110793,0.00534455],[-0.0733014,-0.00912691,-0.00521764,-0.00189218],[-0.0367431,-0.00898613,-0.00537518,-0.00220622]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 125.79
S298 (cal/mol*K) = 45.63
G298 (kcal/mol) = 112.19

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(522); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(522)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.720e+01 -9.629e-02 -6.306e-02 -3.146e-02 / CHEB/ 3.943e+01 3.771e-02 2.480e-02 1.246e-02 / CHEB/ -1.192e-01 4.831e-02 3.061e-02 1.430e-02 / CHEB/ -1.176e-01 1.722e-02 1.108e-02 5.345e-03 / CHEB/ -7.330e-02 -9.127e-03 -5.218e-03 -1.892e-03 / CHEB/ -3.674e-02 -8.986e-03 -5.375e-03 -2.206e-03 /

3668.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+0.4	+1.9	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-3.3	+0.2	+1.8	+2.7

Chebyshev(coeffs=[[3.81981,-0.773409,-0.317837,-0.0719823],[3.94595,0.551412,0.142626,-0.00531308],[0.789816,0.113562,0.10166,0.0323852],[0.121612,0.0575208,0.0377188,0.0225413],[-0.0075527,0.00923611,0.00189357,0.00202669],[-0.0260222,-0.0132263,-0.0052354,-0.00185957]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.24
S298 (cal/mol*K) = -15.28
G298 (kcal/mol) = -3.68

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(523); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(523)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.820e+00 -7.734e-01 -3.178e-01 -7.198e-02 / CHEB/ 3.946e+00 5.514e-01 1.426e-01 -5.313e-03 / CHEB/ 7.898e-01 1.136e-01 1.017e-01 3.239e-02 / CHEB/ 1.216e-01 5.752e-02 3.772e-02 2.254e-02 / CHEB/ -7.553e-03 9.236e-03 1.894e-03 2.027e-03 / CHEB/ -2.602e-02 -1.323e-02 -5.235e-03 -1.860e-03 /

3669.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.8	+4.3	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+3.4	+4.1	+4.4

Chebyshev(coeffs=[[8.73352,-0.972825,-0.351206,-0.0577737],[1.30394,0.581015,0.103404,-0.020541],[0.326634,0.193206,0.119533,0.0152633],[0.0726515,0.0971294,0.0554751,0.0199556],[-0.0140671,0.0149656,0.00585363,0.0051653],[-0.0312911,-0.0162647,-0.00452271,0.000244632]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.86
S298 (cal/mol*K) = -3.32
G298 (kcal/mol) = -30.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H4(524); C2H4(72), C3H7(431); C5H7(210)+C2H4(72)(+M)=>C4H4(524)+C3H7(431)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.734e+00 -9.728e-01 -3.512e-01 -5.777e-02 / CHEB/ 1.304e+00 5.810e-01 1.034e-01 -2.054e-02 / CHEB/ 3.266e-01 1.932e-01 1.195e-01 1.526e-02 / CHEB/ 7.265e-02 9.713e-02 5.548e-02 1.996e-02 / CHEB/ -1.407e-02 1.497e-02 5.854e-03 5.165e-03 / CHEB/ -3.129e-02 -1.626e-02 -4.523e-03 2.446e-04 /

3670.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.8	+4.1	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-0.5	+2.6	+4.0	+4.7

Chebyshev(coeffs=[[6.40202,-0.483622,-0.268927,-0.0994581],[3.57179,0.295236,0.151963,0.0456983],[0.679057,0.0714751,0.0445334,0.0211365],[0.0866555,0.0653571,0.0341343,0.0103892],[-0.0265037,0.00800527,0.00606885,0.00330218],[-0.0335836,-0.0145193,-0.00676568,-0.00132279]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = 0.05
G298 (kcal/mol) = -1.31

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H6(525); C2H4(72), C2H5(419); C5H7(210)+C2H4(72)(+M)=>C5H6(525)+C2H5(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.402e+00 -4.836e-01 -2.689e-01 -9.946e-02 / CHEB/ 3.572e+00 2.952e-01 1.520e-01 4.570e-02 / CHEB/ 6.791e-01 7.148e-02 4.453e-02 2.114e-02 / CHEB/ 8.666e-02 6.536e-02 3.413e-02 1.039e-02 / CHEB/ -2.650e-02 8.005e-03 6.069e-03 3.302e-03 / CHEB/ -3.358e-02 -1.452e-02 -6.766e-03 -1.323e-03 /

3671.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.4	+0.9	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-1.5	+0.9	+2.1

Chebyshev(coeffs=[[-0.864489,-0.33532,-0.197059,-0.0824205],[8.39703,0.185904,0.102967,0.0391274],[0.505904,0.0613277,0.0375731,0.0162022],[0.0882727,0.0541258,0.0309092,0.011444],[-0.0239206,0.00566932,0.00428835,0.00266573],[-0.0311618,-0.0122071,-0.00639596,-0.00189703]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.34
S298 (cal/mol*K) = -0.87
G298 (kcal/mol) = 21.59

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(526); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>C6H8(526)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.645e-01 -3.353e-01 -1.971e-01 -8.242e-02 / CHEB/ 8.397e+00 1.859e-01 1.030e-01 3.913e-02 / CHEB/ 5.059e-01 6.133e-02 3.757e-02 1.620e-02 / CHEB/ 8.827e-02 5.413e-02 3.091e-02 1.144e-02 / CHEB/ -2.392e-02 5.669e-03 4.288e-03 2.666e-03 / CHEB/ -3.116e-02 -1.221e-02 -6.396e-03 -1.897e-03 /

3672.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-4.3	-0.9	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-4.4	-0.9	+1.0

Chebyshev(coeffs=[[-5.68195,-0.370671,-0.211115,-0.0832141],[11.6729,0.176702,0.0926962,0.0330342],[0.725711,0.0920766,0.0517346,0.0170654],[0.210926,0.0674004,0.0388505,0.0145071],[0.0329531,0.00748167,0.00617552,0.00448578],[-0.00938664,-0.0138406,-0.00665227,-0.00136517]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.97
S298 (cal/mol*K) = -8.68
G298 (kcal/mol) = 33.55

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(116); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.682e+00 -3.707e-01 -2.111e-01 -8.321e-02 / CHEB/ 1.167e+01 1.767e-01 9.270e-02 3.303e-02 / CHEB/ 7.257e-01 9.208e-02 5.173e-02 1.707e-02 / CHEB/ 2.109e-01 6.740e-02 3.885e-02 1.451e-02 / CHEB/ 3.295e-02 7.482e-03 6.176e-03 4.486e-03 / CHEB/ -9.387e-03 -1.384e-02 -6.652e-03 -1.365e-03 /

3673.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	+0.7	+2.6	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+0.5	+2.5	+3.4

Chebyshev(coeffs=[[2.7037,-0.613811,-0.285169,-0.0722701],[6.10757,0.42463,0.145413,0.00459584],[0.57619,0.087831,0.0749565,0.0324503],[0.0899804,0.0571233,0.0327694,0.016292],[-0.0188864,0.0082756,0.00271755,0.000451571],[-0.0297731,-0.0142528,-0.00623433,-0.00161809]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.81
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = 11.13

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H4(527); C2H4(72), C3H7(431); C5H7(210)+C2H4(72)(+M)=>C4H4(527)+C3H7(431)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.704e+00 -6.138e-01 -2.852e-01 -7.227e-02 / CHEB/ 6.108e+00 4.246e-01 1.454e-01 4.596e-03 / CHEB/ 5.762e-01 8.783e-02 7.496e-02 3.245e-02 / CHEB/ 8.998e-02 5.712e-02 3.277e-02 1.629e-02 / CHEB/ -1.889e-02 8.276e-03 2.718e-03 4.516e-04 / CHEB/ -2.977e-02 -1.425e-02 -6.234e-03 -1.618e-03 /

3674.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-2.8	-0.4	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-3.0	-0.4	+0.9

Chebyshev(coeffs=[[-2.45435,-0.535619,-0.274342,-0.0835034],[8.64787,0.377737,0.154991,0.0177617],[0.599506,0.072094,0.0645712,0.0369005],[0.11278,0.0490772,0.0287989,0.0142379],[-0.00554654,0.0101478,0.00404101,0.000126579],[-0.022912,-0.0116329,-0.0053343,-0.00125453]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.71
S298 (cal/mol*K) = -10.79
G298 (kcal/mol) = 23.92

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(528); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(528)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.454e+00 -5.356e-01 -2.743e-01 -8.350e-02 / CHEB/ 8.648e+00 3.777e-01 1.550e-01 1.776e-02 / CHEB/ 5.995e-01 7.209e-02 6.457e-02 3.690e-02 / CHEB/ 1.128e-01 4.908e-02 2.880e-02 1.424e-02 / CHEB/ -5.547e-03 1.015e-02 4.041e-03 1.266e-04 / CHEB/ -2.291e-02 -1.163e-02 -5.334e-03 -1.255e-03 /

3675.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-5.6	-1.8	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.9	-5.7	-1.8	+0.3

Chebyshev(coeffs=[[-8.42852,-0.245187,-0.149798,-0.0668572],[13.8068,0.132661,0.0771906,0.0320894],[0.712366,0.0493859,0.0310538,0.0137479],[0.169883,0.043505,0.0262488,0.0111543],[0.013025,0.00322101,0.00260825,0.00182688],[-0.0148712,-0.0104999,-0.00592326,-0.00216838]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.29
S298 (cal/mol*K) = -10.51
G298 (kcal/mol) = 41.42

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(529); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(529)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.429e+00 -2.452e-01 -1.498e-01 -6.686e-02 / CHEB/ 1.381e+01 1.327e-01 7.719e-02 3.209e-02 / CHEB/ 7.124e-01 4.939e-02 3.105e-02 1.375e-02 / CHEB/ 1.699e-01 4.351e-02 2.625e-02 1.115e-02 / CHEB/ 1.302e-02 3.221e-03 2.608e-03 1.827e-03 / CHEB/ -1.487e-02 -1.050e-02 -5.923e-03 -2.168e-03 /

3676.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+4.0	+4.3	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+3.7	+4.2	+4.4

Chebyshev(coeffs=[[9.2183,-0.58702,-0.316437,-0.108453],[0.892605,0.312283,0.155533,0.0410954],[0.277427,0.107642,0.061357,0.0247701],[0.072479,0.0840957,0.0411621,0.0110813],[-0.0154099,0.0122827,0.0080163,0.00380677],[-0.0301609,-0.0164685,-0.00670443,-0.000467102]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.76
S298 (cal/mol*K) = -47.77
G298 (kcal/mol) = -45.53

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(530); C2H4(72), C7H11(530); C5H7(210)+C2H4(72)(+M)=>C7H11(530)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.218e+00 -5.870e-01 -3.164e-01 -1.085e-01 / CHEB/ 8.926e-01 3.123e-01 1.555e-01 4.110e-02 / CHEB/ 2.774e-01 1.076e-01 6.136e-02 2.477e-02 / CHEB/ 7.248e-02 8.410e-02 4.116e-02 1.108e-02 / CHEB/ -1.541e-02 1.228e-02 8.016e-03 3.807e-03 / CHEB/ -3.016e-02 -1.647e-02 -6.704e-03 -4.671e-04 /

3677.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-6.7	-3.1	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-16.7	-6.8	-3.2	-1.3

Chebyshev(coeffs=[[-9.49541,-0.237182,-0.145688,-0.0655164],[13.6688,0.11923,0.0699708,0.0294666],[0.409038,0.0498252,0.0310794,0.0136437],[0.0950403,0.0442924,0.0267288,0.0113752],[-0.00847194,0.00423796,0.00311222,0.00192874],[-0.0224353,-0.00998046,-0.00564159,-0.00207492]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.99
S298 (cal/mol*K) = -5.46
G298 (kcal/mol) = 41.61

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(531); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(531)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.495e+00 -2.372e-01 -1.457e-01 -6.552e-02 / CHEB/ 1.367e+01 1.192e-01 6.997e-02 2.947e-02 / CHEB/ 4.090e-01 4.983e-02 3.108e-02 1.364e-02 / CHEB/ 9.504e-02 4.429e-02 2.673e-02 1.138e-02 / CHEB/ -8.472e-03 4.238e-03 3.112e-03 1.929e-03 / CHEB/ -2.244e-02 -9.980e-03 -5.642e-03 -2.075e-03 /

3678.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.9	-13.1	-6.8	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-32.0	-13.1	-6.8	-3.6

Chebyshev(coeffs=[[-24.3291,-0.0829972,-0.0555734,-0.0288786],[26.593,0.025995,0.0173377,0.00894931],[0.0847923,0.0262165,0.017342,0.00880879],[0.0240065,0.020313,0.0133541,0.00671111],[-0.00860547,0.00149504,0.0010513,0.000594543],[-0.0134278,-0.00470412,-0.00299768,-0.00141661]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.30
S298 (cal/mol*K) = 3.70
G298 (kcal/mol) = 75.20

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(532); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C5H8(532)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.433e+01 -8.300e-02 -5.557e-02 -2.888e-02 / CHEB/ 2.659e+01 2.599e-02 1.734e-02 8.949e-03 / CHEB/ 8.479e-02 2.622e-02 1.734e-02 8.809e-03 / CHEB/ 2.401e-02 2.031e-02 1.335e-02 6.711e-03 / CHEB/ -8.605e-03 1.495e-03 1.051e-03 5.945e-04 / CHEB/ -1.343e-02 -4.704e-03 -2.998e-03 -1.417e-03 /

3679.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+1.5	+2.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+1.3	+2.5	+3.2

Chebyshev(coeffs=[[5.89369,-0.541836,-0.295542,-0.104237],[2.46864,0.323656,0.162789,0.0449058],[0.695372,0.0885176,0.0533094,0.023955],[0.149017,0.0709016,0.035909,0.0104237],[-0.00392714,0.00860129,0.00643012,0.00340462],[-0.0273733,-0.0158038,-0.00688104,-0.000971951]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.69
S298 (cal/mol*K) = -39.89
G298 (kcal/mol) = -56.81

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(533); C2H4(72), C7H11(533); C5H7(210)+C2H4(72)(+M)=>C7H11(533)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.894e+00 -5.418e-01 -2.955e-01 -1.042e-01 / CHEB/ 2.469e+00 3.237e-01 1.628e-01 4.491e-02 / CHEB/ 6.954e-01 8.852e-02 5.331e-02 2.395e-02 / CHEB/ 1.490e-01 7.090e-02 3.591e-02 1.042e-02 / CHEB/ -3.927e-03 8.601e-03 6.430e-03 3.405e-03 / CHEB/ -2.737e-02 -1.580e-02 -6.881e-03 -9.720e-04 /

3680.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	-0.8	+0.5	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-3.7	-1.0	+0.4	+1.2

Chebyshev(coeffs=[[3.2224,-0.666394,-0.372914,-0.138807],[3.0821,0.466167,0.24596,0.0773694],[0.772703,0.0491584,0.0341392,0.0200648],[0.169388,0.0749952,0.037405,0.0099946],[0.00598397,0.01896,0.0131531,0.00662383],[-0.0255847,-0.0138375,-0.00542589,-4.5611e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.49
S298 (cal/mol*K) = -39.01
G298 (kcal/mol) = -56.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(534); C2H4(72), C7H11(534); C5H7(210)+C2H4(72)(+M)=>C7H11(534)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.222e+00 -6.664e-01 -3.729e-01 -1.388e-01 / CHEB/ 3.082e+00 4.662e-01 2.460e-01 7.737e-02 / CHEB/ 7.727e-01 4.916e-02 3.414e-02 2.006e-02 / CHEB/ 1.694e-01 7.500e-02 3.741e-02 9.995e-03 / CHEB/ 5.984e-03 1.896e-02 1.315e-02 6.624e-03 / CHEB/ -2.558e-02 -1.384e-02 -5.426e-03 -4.561e-05 /

3681.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+2.5	+2.6	+2.3
log₁₀(k(10 bar)/[mole,m,s])	+2.4	+3.1	+3.4	+3.2

Chebyshev(coeffs=[[7.76347,1.21087,-0.433369,-0.154234],[0.407968,0.450491,0.233674,0.0685849],[0.222838,0.0897137,0.0535074,0.0246188],[0.00594337,0.104281,0.0494648,0.0118006],[-0.106359,0.0320702,0.0190251,0.00793395],[-0.0854734,-0.0120619,-0.00337621,0.00161041]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.06
S298 (cal/mol*K) = -34.99
G298 (kcal/mol) = -45.64

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(535); C2H4(72), C7H11(535); C5H7(210)+C2H4(72)(+M)=>C7H11(535)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.763e+00 1.211e+00 -4.334e-01 -1.542e-01 / CHEB/ 4.080e-01 4.505e-01 2.337e-01 6.858e-02 / CHEB/ 2.228e-01 8.971e-02 5.351e-02 2.462e-02 / CHEB/ 5.943e-03 1.043e-01 4.946e-02 1.180e-02 / CHEB/ -1.064e-01 3.207e-02 1.903e-02 7.934e-03 / CHEB/ -8.547e-02 -1.206e-02 -3.376e-03 1.610e-03 /

3682.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+0.3	+1.3	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+0.1	+1.2	+2.0

Chebyshev(coeffs=[[5.60874,-0.583781,-0.315822,-0.109197],[1.36725,0.320313,0.158061,0.0404022],[0.620277,0.112305,0.0636281,0.0252929],[0.280368,0.0846795,0.0424112,0.012229],[0.0812594,0.0110918,0.00862036,0.00497484],[-0.00221813,-0.0173974,-0.00632132,0.000332343]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.41
S298 (cal/mol*K) = -36.70
G298 (kcal/mol) = -42.48

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(536); C2H4(72), C7H11(536); C5H7(210)+C2H4(72)(+M)=>C7H11(536)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.609e+00 -5.838e-01 -3.158e-01 -1.092e-01 / CHEB/ 1.367e+00 3.203e-01 1.581e-01 4.040e-02 / CHEB/ 6.203e-01 1.123e-01 6.363e-02 2.529e-02 / CHEB/ 2.804e-01 8.468e-02 4.241e-02 1.223e-02 / CHEB/ 8.126e-02 1.109e-02 8.620e-03 4.975e-03 / CHEB/ -2.218e-03 -1.740e-02 -6.321e-03 3.323e-04 /

3683.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+2.6	+2.9	+3.0
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+2.3	+2.7	+2.9

Chebyshev(coeffs=[[7.94999,-0.58663,-0.316006,-0.108098],[0.690985,0.312809,0.155983,0.0413311],[0.226951,0.111776,0.06336,0.0251805],[0.0737349,0.0856245,0.041905,0.0112945],[-0.00588188,0.0118607,0.00781496,0.00380093],[-0.02576,-0.0172911,-0.00704644,-0.000486071]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.58
S298 (cal/mol*K) = -44.94
G298 (kcal/mol) = -29.19

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(537); C2H4(72), C7H11(537); C5H7(210)+C2H4(72)(+M)=>C7H11(537)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.950e+00 -5.866e-01 -3.160e-01 -1.081e-01 / CHEB/ 6.910e-01 3.128e-01 1.560e-01 4.133e-02 / CHEB/ 2.270e-01 1.118e-01 6.336e-02 2.518e-02 / CHEB/ 7.373e-02 8.562e-02 4.190e-02 1.129e-02 / CHEB/ -5.882e-03 1.186e-02 7.815e-03 3.801e-03 / CHEB/ -2.576e-02 -1.729e-02 -7.046e-03 -4.861e-04 /

3684.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.2	-5.8	-2.0	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-5.9	-2.1	-0.1

Chebyshev(coeffs=[[-9.14512,-0.224068,-0.138573,-0.0629637],[14.5291,0.110939,0.065717,0.028016],[0.397536,0.0479478,0.0300236,0.0133308],[0.0951408,0.0426429,0.0259327,0.0112257],[-0.00632921,0.00402556,0.00293535,0.00179753],[-0.0210066,-0.00961439,-0.0054918,-0.00206858]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.45
S298 (cal/mol*K) = -3.13
G298 (kcal/mol) = 35.38

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(538); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>C6H9(538)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.145e+00 -2.241e-01 -1.386e-01 -6.296e-02 / CHEB/ 1.453e+01 1.109e-01 6.572e-02 2.802e-02 / CHEB/ 3.975e-01 4.795e-02 3.002e-02 1.333e-02 / CHEB/ 9.514e-02 4.264e-02 2.593e-02 1.123e-02 / CHEB/ -6.329e-03 4.026e-03 2.935e-03 1.798e-03 / CHEB/ -2.101e-02 -9.614e-03 -5.492e-03 -2.069e-03 /

3704.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+1.7	+1.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+2.3	+1.9	+1.5

Chebyshev(coeffs=[[7.54483,1.1142,-0.415834,-0.0957449],[-0.56114,0.442698,0.167921,0.00843252],[-0.318152,0.158951,0.0887938,0.0260005],[-0.0963284,0.103569,0.045719,0.00928619],[-0.0321949,0.0362906,0.0143387,0.00185233],[-0.0205405,-0.000606366,0.0017898,0.0017963]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.14
S298 (cal/mol*K) = -54.15
G298 (kcal/mol) = -52.01

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(402); C2H4(72), C7H11(402); C5H7(210)+C2H4(72)(+M)=>C7H11(402)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.545e+00 1.114e+00 -4.158e-01 -9.574e-02 / CHEB/ -5.611e-01 4.427e-01 1.679e-01 8.433e-03 / CHEB/ -3.182e-01 1.590e-01 8.879e-02 2.600e-02 / CHEB/ -9.633e-02 1.036e-01 4.572e-02 9.286e-03 / CHEB/ -3.219e-02 3.629e-02 1.434e-02 1.852e-03 / CHEB/ -2.054e-02 -6.064e-04 1.790e-03 1.796e-03 /

3705.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+4.2	+4.4	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+3.9	+4.2	+4.4

Chebyshev(coeffs=[[9.53035,-0.827929,-0.39447,-0.0951148],[0.664918,0.482029,0.187022,0.0123974],[0.125353,0.148858,0.0889813,0.0301976],[0.0457395,0.0839088,0.0409873,0.0117557],[0.00633863,0.0236306,0.0108605,0.00285137],[-0.0111955,-0.00591892,-0.000268094,0.00184843]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.57
S298 (cal/mol*K) = -28.10
G298 (kcal/mol) = -41.19

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(539); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(539)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.530e+00 -8.279e-01 -3.945e-01 -9.511e-02 / CHEB/ 6.649e-01 4.820e-01 1.870e-01 1.240e-02 / CHEB/ 1.254e-01 1.489e-01 8.898e-02 3.020e-02 / CHEB/ 4.574e-02 8.391e-02 4.099e-02 1.176e-02 / CHEB/ 6.339e-03 2.363e-02 1.086e-02 2.851e-03 / CHEB/ -1.120e-02 -5.919e-03 -2.681e-04 1.848e-03 /

3706.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.4	+3.9	+4.1	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.5	+3.9	+4.1

Chebyshev(coeffs=[[9.13101,-0.822599,-0.392698,-0.095253],[0.761016,0.483666,0.188037,0.0127083],[0.154279,0.14614,0.0881887,0.0304555],[0.0502759,0.0817074,0.0402504,0.0118359],[0.0054183,0.0228563,0.0105855,0.00284131],[-0.0122169,-0.00594042,-0.000335755,0.00179997]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.39
S298 (cal/mol*K) = -26.77
G298 (kcal/mol) = -36.41

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(93); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.131e+00 -8.226e-01 -3.927e-01 -9.525e-02 / CHEB/ 7.610e-01 4.837e-01 1.880e-01 1.271e-02 / CHEB/ 1.543e-01 1.461e-01 8.819e-02 3.046e-02 / CHEB/ 5.028e-02 8.171e-02 4.025e-02 1.184e-02 / CHEB/ 5.418e-03 2.286e-02 1.059e-02 2.841e-03 / CHEB/ -1.222e-02 -5.940e-03 -3.358e-04 1.800e-03 /

3707.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+4.5	+4.7	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+4.2	+4.5	+4.7

Chebyshev(coeffs=[[9.75602,-0.821741,-0.3926,-0.0954466],[0.775058,0.482304,0.18747,0.0125954],[0.148929,0.144466,0.0874783,0.0303722],[0.0432343,0.0811585,0.0399801,0.0117565],[0.00123715,0.0230603,0.0106311,0.00279214],[-0.0141343,-0.00559186,-0.000226106,0.00177614]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.38
S298 (cal/mol*K) = -11.71
G298 (kcal/mol) = -39.89

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(540); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(540)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.756e+00 -8.217e-01 -3.926e-01 -9.545e-02 / CHEB/ 7.751e-01 4.823e-01 1.875e-01 1.260e-02 / CHEB/ 1.489e-01 1.445e-01 8.748e-02 3.037e-02 / CHEB/ 4.323e-02 8.116e-02 3.998e-02 1.176e-02 / CHEB/ 1.237e-03 2.306e-02 1.063e-02 2.792e-03 / CHEB/ -1.413e-02 -5.592e-03 -2.261e-04 1.776e-03 /

3708.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+3.7	+3.9	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+3.4	+3.7	+3.9

Chebyshev(coeffs=[[9.0024,-0.82506,-0.393729,-0.0953837],[0.71645,0.481122,0.186754,0.0123748],[0.130121,0.145976,0.0878898,0.0301956],[0.0392393,0.082447,0.0403999,0.0116954],[0.000905336,0.0235523,0.0108008,0.0027908],[-0.0138713,-0.00553605,-0.000171936,0.00180193]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -93.04
S298 (cal/mol*K) = -52.92
G298 (kcal/mol) = -77.27

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(541); C2H4(72), C7H11(541); C5H7(210)+C2H4(72)(+M)=>C7H11(541)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.002e+00 -8.251e-01 -3.937e-01 -9.538e-02 / CHEB/ 7.165e-01 4.811e-01 1.868e-01 1.237e-02 / CHEB/ 1.301e-01 1.460e-01 8.789e-02 3.020e-02 / CHEB/ 3.924e-02 8.245e-02 4.040e-02 1.170e-02 / CHEB/ 9.053e-04 2.355e-02 1.080e-02 2.791e-03 / CHEB/ -1.387e-02 -5.536e-03 -1.719e-04 1.802e-03 /

3709.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+3.0	+3.2	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+2.6	+3.1	+3.3

Chebyshev(coeffs=[[8.08678,-0.811174,-0.388849,-0.0955067],[0.968847,0.486979,0.190222,0.0134501],[0.21617,0.140468,0.0865375,0.0310149],[0.0602049,0.0773031,0.0387586,0.0119928],[0.00398438,0.0213674,0.0100483,0.00281598],[-0.0138331,-0.00598122,-0.000473835,0.00170093]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.45
S298 (cal/mol*K) = -43.96
G298 (kcal/mol) = -66.35

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(542); C2H4(72), C7H11(542); C5H7(210)+C2H4(72)(+M)=>C7H11(542)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.087e+00 -8.112e-01 -3.888e-01 -9.551e-02 / CHEB/ 9.688e-01 4.870e-01 1.902e-01 1.345e-02 / CHEB/ 2.162e-01 1.405e-01 8.654e-02 3.101e-02 / CHEB/ 6.020e-02 7.730e-02 3.876e-02 1.199e-02 / CHEB/ 3.984e-03 2.137e-02 1.005e-02 2.816e-03 / CHEB/ -1.383e-02 -5.981e-03 -4.738e-04 1.701e-03 /

3710.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+2.1	+2.5	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+1.8	+2.4	+2.7

Chebyshev(coeffs=[[7.19553,-0.802228,-0.385687,-0.0955717],[1.13548,0.490306,0.192341,0.014183],[0.271348,0.136764,0.0855733,0.0315223],[0.0734122,0.0741492,0.0377115,0.012146],[0.0060569,0.0201348,0.00960346,0.00281092],[-0.0136993,-0.00620211,-0.000648367,0.00162978]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.85
S298 (cal/mol*K) = -47.05
G298 (kcal/mol) = -52.83

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(543); C2H4(72), C7H11(543); C5H7(210)+C2H4(72)(+M)=>C7H11(543)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.196e+00 -8.022e-01 -3.857e-01 -9.557e-02 / CHEB/ 1.135e+00 4.903e-01 1.923e-01 1.418e-02 / CHEB/ 2.713e-01 1.368e-01 8.557e-02 3.152e-02 / CHEB/ 7.341e-02 7.415e-02 3.771e-02 1.215e-02 / CHEB/ 6.057e-03 2.013e-02 9.603e-03 2.811e-03 / CHEB/ -1.370e-02 -6.202e-03 -6.484e-04 1.630e-03 /

3711.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+4.3	+4.3	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+3.9	+4.1	+4.2

Chebyshev(coeffs=[[9.69258,-0.842548,-0.399679,-0.0950601],[0.405469,0.473742,0.182634,0.0112623],[0.0267719,0.153424,0.0897936,0.0292154],[0.0167052,0.089554,0.0426282,0.0112929],[-9.79193e-05,0.0265906,0.0118081,0.00273971],[-0.012187,-0.00501125,0.000190027,0.00192692]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.65
S298 (cal/mol*K) = -47.47
G298 (kcal/mol) = -50.51

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(544); C2H4(72), C7H11(544); C5H7(210)+C2H4(72)(+M)=>C7H11(544)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.693e+00 -8.425e-01 -3.997e-01 -9.506e-02 / CHEB/ 4.055e-01 4.737e-01 1.826e-01 1.126e-02 / CHEB/ 2.677e-02 1.534e-01 8.979e-02 2.922e-02 / CHEB/ 1.671e-02 8.955e-02 4.263e-02 1.129e-02 / CHEB/ -9.792e-05 2.659e-02 1.181e-02 2.740e-03 / CHEB/ -1.219e-02 -5.011e-03 1.900e-04 1.927e-03 /

3712.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+0.3	+2.2	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-4.9	+0.1	+2.1	+3.1

Chebyshev(coeffs=[[1.81261,-0.432042,-0.252331,-0.0994838],[6.80875,0.271364,0.144957,0.0445132],[0.372062,0.066734,0.0464445,0.0247694],[0.08794,0.0444715,0.0258246,0.0102425],[-0.0117917,0.0114448,0.00673714,0.00273637],[-0.0227842,-0.00558093,-0.00228695,2.27121e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.16
S298 (cal/mol*K) = 1.70
G298 (kcal/mol) = 17.65

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(545); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C5H8(545)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.813e+00 -4.320e-01 -2.523e-01 -9.948e-02 / CHEB/ 6.809e+00 2.714e-01 1.450e-01 4.451e-02 / CHEB/ 3.721e-01 6.673e-02 4.644e-02 2.477e-02 / CHEB/ 8.794e-02 4.447e-02 2.582e-02 1.024e-02 / CHEB/ -1.179e-02 1.144e-02 6.737e-03 2.736e-03 / CHEB/ -2.278e-02 -5.581e-03 -2.287e-03 2.271e-05 /

3713.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	-1.3	-0.0	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-4.3	-1.6	-0.2	+0.7

Chebyshev(coeffs=[[2.61786,-0.696815,-0.349188,-0.0970677],[3.1455,0.489353,0.204164,0.0238421],[0.740699,0.0889577,0.0689778,0.0346823],[0.145579,0.0508195,0.0281668,0.0116499],[0.0127211,0.014352,0.00717405,0.0022169],[-0.012704,-0.00644576,-0.00159016,0.000909138]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.44
S298 (cal/mol*K) = -27.93
G298 (kcal/mol) = 0.88

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(235); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.618e+00 -6.968e-01 -3.492e-01 -9.707e-02 / CHEB/ 3.145e+00 4.894e-01 2.042e-01 2.384e-02 / CHEB/ 7.407e-01 8.896e-02 6.898e-02 3.468e-02 / CHEB/ 1.456e-01 5.082e-02 2.817e-02 1.165e-02 / CHEB/ 1.272e-02 1.435e-02 7.174e-03 2.217e-03 / CHEB/ -1.270e-02 -6.446e-03 -1.590e-03 9.091e-04 /

3714.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-3.2	-0.8	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-3.3	-0.9	+0.5

Chebyshev(coeffs=[[-2.36637,-0.417256,-0.245651,-0.0985705],[8.10235,0.259053,0.140161,0.0446622],[0.566065,0.0655884,0.045378,0.0241075],[0.150261,0.0442609,0.0257843,0.0102602],[0.00956232,0.0112341,0.0066765,0.00276586],[-0.015396,-0.00555333,-0.00233272,-4.35154e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.05
S298 (cal/mol*K) = -12.56
G298 (kcal/mol) = 24.79

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(230); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.366e+00 -4.173e-01 -2.457e-01 -9.857e-02 / CHEB/ 8.102e+00 2.591e-01 1.402e-01 4.466e-02 / CHEB/ 5.661e-01 6.559e-02 4.538e-02 2.411e-02 / CHEB/ 1.503e-01 4.426e-02 2.578e-02 1.026e-02 / CHEB/ 9.562e-03 1.123e-02 6.676e-03 2.766e-03 / CHEB/ -1.540e-02 -5.553e-03 -2.333e-03 -4.352e-05 /

3715.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-3.1	-0.8	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-3.2	-0.9	+0.3

Chebyshev(coeffs=[[-1.90514,-0.437067,-0.254562,-0.099754],[7.51617,0.275635,0.146585,0.0444279],[0.558748,0.0670262,0.0467691,0.0249907],[0.14082,0.0445566,0.0258433,0.0102376],[0.00559915,0.0115207,0.00675951,0.00272645],[-0.0166118,-0.00559332,-0.00227285,4.45678e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.00
S298 (cal/mol*K) = -12.10
G298 (kcal/mol) = 22.60

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(128); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.905e+00 -4.371e-01 -2.546e-01 -9.975e-02 / CHEB/ 7.516e+00 2.756e-01 1.466e-01 4.443e-02 / CHEB/ 5.587e-01 6.703e-02 4.677e-02 2.499e-02 / CHEB/ 1.408e-01 4.456e-02 2.584e-02 1.024e-02 / CHEB/ 5.599e-03 1.152e-02 6.760e-03 2.726e-03 / CHEB/ -1.661e-02 -5.593e-03 -2.273e-03 4.457e-05 /

3716.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-3.7	-1.2	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-3.8	-1.3	+0.2

Chebyshev(coeffs=[[-2.88431,-0.418734,-0.24611,-0.0984059],[8.19897,0.264149,0.142503,0.0450442],[0.620271,0.0646606,0.0451205,0.0242406],[0.179794,0.0433111,0.025278,0.0101218],[0.0337631,0.0106244,0.00635075,0.00266569],[-0.00813658,-0.00576252,-0.00244743,-8.24835e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.60
S298 (cal/mol*K) = -15.51
G298 (kcal/mol) = 25.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(59); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.884e+00 -4.187e-01 -2.461e-01 -9.841e-02 / CHEB/ 8.199e+00 2.641e-01 1.425e-01 4.504e-02 / CHEB/ 6.203e-01 6.466e-02 4.512e-02 2.424e-02 / CHEB/ 1.798e-01 4.331e-02 2.528e-02 1.012e-02 / CHEB/ 3.376e-02 1.062e-02 6.351e-03 2.666e-03 / CHEB/ -8.137e-03 -5.763e-03 -2.447e-03 -8.248e-05 /

3717.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-6.2	-3.2	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-6.3	-3.2	-1.6

Chebyshev(coeffs=[[-7.16517,-0.319277,-0.197673,-0.0883006],[10.9314,0.180605,0.105904,0.0416915],[0.477607,0.0558232,0.0375721,0.0195091],[0.154226,0.041784,0.0250688,0.0104927],[0.0179638,0.00997785,0.00626499,0.00289589],[-0.0123862,-0.00513777,-0.00250793,-0.000476183]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.60
S298 (cal/mol*K) = -15.19
G298 (kcal/mol) = 36.12

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(233); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.165e+00 -3.193e-01 -1.977e-01 -8.830e-02 / CHEB/ 1.093e+01 1.806e-01 1.059e-01 4.169e-02 / CHEB/ 4.776e-01 5.582e-02 3.757e-02 1.951e-02 / CHEB/ 1.542e-01 4.178e-02 2.507e-02 1.049e-02 / CHEB/ 1.796e-02 9.978e-03 6.265e-03 2.896e-03 / CHEB/ -1.239e-02 -5.138e-03 -2.508e-03 -4.762e-04 /

3718.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-5.5	-2.4	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-5.7	-2.4	-0.7

Chebyshev(coeffs=[[-6.94495,-0.302715,-0.188922,-0.0857815],[11.5744,0.167947,0.0997511,0.0404813],[0.475899,0.0538592,0.0361363,0.0187005],[0.158081,0.0410896,0.0248124,0.0105214],[0.0207136,0.00975683,0.00617715,0.00290079],[-0.011221,-0.00501346,-0.00250417,-0.000539723]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.80
S298 (cal/mol*K) = -15.61
G298 (kcal/mol) = 38.45

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(53); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.945e+00 -3.027e-01 -1.889e-01 -8.578e-02 / CHEB/ 1.157e+01 1.679e-01 9.975e-02 4.048e-02 / CHEB/ 4.759e-01 5.386e-02 3.614e-02 1.870e-02 / CHEB/ 1.581e-01 4.109e-02 2.481e-02 1.052e-02 / CHEB/ 2.071e-02 9.757e-03 6.177e-03 2.901e-03 / CHEB/ -1.122e-02 -5.013e-03 -2.504e-03 -5.397e-04 /

3719.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+4.3	+4.3	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+3.9	+4.1	+4.2

Chebyshev(coeffs=[[9.63703,-0.836191,-0.397613,-0.0952643],[0.517532,0.475838,0.183827,0.0115693],[0.0605906,0.150145,0.0888404,0.029516],[0.0216464,0.0867487,0.0417138,0.0114057],[-0.00169749,0.0255322,0.0114496,0.00273892],[-0.0137797,-0.00507282,9.92033e-05,0.00187159]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.23
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -49.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(546); C2H4(72), C7H11(546); C5H7(210)+C2H4(72)(+M)=>C7H11(546)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.637e+00 -8.362e-01 -3.976e-01 -9.526e-02 / CHEB/ 5.175e-01 4.758e-01 1.838e-01 1.157e-02 / CHEB/ 6.059e-02 1.501e-01 8.884e-02 2.952e-02 / CHEB/ 2.165e-02 8.675e-02 4.171e-02 1.141e-02 / CHEB/ -1.697e-03 2.553e-02 1.145e-02 2.739e-03 / CHEB/ -1.378e-02 -5.073e-03 9.920e-05 1.872e-03 /

3720.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+0.6	+1.4	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+0.3	+1.3	+1.9

Chebyshev(coeffs=[[5.11195,-0.751939,-0.368039,-0.0960736],[2.09588,0.499465,0.201162,0.0185646],[0.543131,0.113402,0.0783649,0.0337443],[0.124859,0.0593775,0.0321972,0.0123448],[0.0115716,0.0157715,0.00782912,0.00254242],[-0.0133356,-0.0065396,-0.00126713,0.00121657]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -57.09
S298 (cal/mol*K) = -45.33
G298 (kcal/mol) = -43.59

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(547); C2H4(72), C7H11(547); C5H7(210)+C2H4(72)(+M)=>C7H11(547)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.112e+00 -7.519e-01 -3.680e-01 -9.607e-02 / CHEB/ 2.096e+00 4.995e-01 2.012e-01 1.856e-02 / CHEB/ 5.431e-01 1.134e-01 7.836e-02 3.374e-02 / CHEB/ 1.249e-01 5.938e-02 3.220e-02 1.234e-02 / CHEB/ 1.157e-02 1.577e-02 7.829e-03 2.542e-03 / CHEB/ -1.334e-02 -6.540e-03 -1.267e-03 1.217e-03 /

3721.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.7	-8.0	-4.6	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-8.1	-4.7	-2.9

Chebyshev(coeffs=[[-9.77757,-0.285309,-0.179364,-0.082656],[12.1883,0.159813,0.0959551,0.0399344],[0.513012,0.050358,0.0339488,0.0177339],[0.165759,0.0391242,0.0238319,0.0102936],[0.022873,0.00894456,0.00575831,0.00279069],[-0.00996632,-0.00507161,-0.00261195,-0.000652892]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.45
S298 (cal/mol*K) = -21.44
G298 (kcal/mol) = 41.84

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(548); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(548)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.778e+00 -2.853e-01 -1.794e-01 -8.266e-02 / CHEB/ 1.219e+01 1.598e-01 9.596e-02 3.993e-02 / CHEB/ 5.130e-01 5.036e-02 3.395e-02 1.773e-02 / CHEB/ 1.658e-01 3.912e-02 2.383e-02 1.029e-02 / CHEB/ 2.287e-02 8.945e-03 5.758e-03 2.791e-03 / CHEB/ -9.966e-03 -5.072e-03 -2.612e-03 -6.529e-04 /

3744.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+1.7	+1.6	+1.3
log₁₀(k(10 bar)/[mole,m,s])	+1.4	+2.1	+2.3	+2.2

Chebyshev(coeffs=[[6.85948,0.825293,-0.568887,-0.148396],[0.335937,0.519956,0.242698,0.0509214],[0.168977,0.276194,0.125991,0.0288525],[-0.041551,0.183751,0.075711,0.0105294],[-0.0905608,0.024481,0.0139678,0.00617831],[-0.0463036,-0.0314678,-0.010721,0.00143214]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.60
S298 (cal/mol*K) = -48.04
G298 (kcal/mol) = -57.29

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(549); C2H4(72), C7H11(549); C5H7(210)+C2H4(72)(+M)=>C7H11(549)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.859e+00 8.253e-01 -5.689e-01 -1.484e-01 / CHEB/ 3.359e-01 5.200e-01 2.427e-01 5.092e-02 / CHEB/ 1.690e-01 2.762e-01 1.260e-01 2.885e-02 / CHEB/ -4.155e-02 1.838e-01 7.571e-02 1.053e-02 / CHEB/ -9.056e-02 2.448e-02 1.397e-02 6.178e-03 / CHEB/ -4.630e-02 -3.147e-02 -1.072e-02 1.432e-03 /

3745.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	-1.4	-0.5	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-3.7	-1.9	-0.7	+0.0

Chebyshev(coeffs=[[3.18282,-1.02953,-0.510139,-0.142413],[1.9671,0.593213,0.276094,0.0606788],[0.655853,0.232826,0.113678,0.0324463],[0.200354,0.13259,0.0600316,0.0115613],[0.0156381,0.000531979,0.00518697,0.0048968],[-0.0244686,-0.0348822,-0.0135137,-0.000684925]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -80.09
S298 (cal/mol*K) = -49.75
G298 (kcal/mol) = -65.27

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(550); C2H4(72), C7H11(550); C5H7(210)+C2H4(72)(+M)=>C7H11(550)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.183e+00 -1.030e+00 -5.101e-01 -1.424e-01 / CHEB/ 1.967e+00 5.932e-01 2.761e-01 6.068e-02 / CHEB/ 6.559e-01 2.328e-01 1.137e-01 3.245e-02 / CHEB/ 2.004e-01 1.326e-01 6.003e-02 1.156e-02 / CHEB/ 1.564e-02 5.320e-04 5.187e-03 4.897e-03 / CHEB/ -2.447e-02 -3.488e-02 -1.351e-02 -6.849e-04 /

3746.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+3.9	+4.6	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+3.4	+4.4	+5.0

Chebyshev(coeffs=[[8.81966,-1.06896,-0.527979,-0.145873],[1.46356,0.593596,0.276492,0.0603709],[0.539721,0.251331,0.121174,0.0332866],[0.192774,0.143931,0.0641312,0.0119256],[0.0205683,0.00243097,0.00598479,0.00512949],[-0.0229224,-0.0364118,-0.0138086,-0.000444896]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.87
S298 (cal/mol*K) = -4.55
G298 (kcal/mol) = -32.52

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H5(99); C2H4(72), C3H6(551); C5H7(210)+C2H4(72)(+M)=>C4H5(99)+C3H6(551)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.820e+00 -1.069e+00 -5.280e-01 -1.459e-01 / CHEB/ 1.464e+00 5.936e-01 2.765e-01 6.037e-02 / CHEB/ 5.397e-01 2.513e-01 1.212e-01 3.329e-02 / CHEB/ 1.928e-01 1.439e-01 6.413e-02 1.193e-02 / CHEB/ 2.057e-02 2.431e-03 5.985e-03 5.129e-03 / CHEB/ -2.292e-02 -3.641e-02 -1.381e-02 -4.449e-04 /

3747.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-2.3	+0.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-2.5	+0.8	+2.5

Chebyshev(coeffs=[[-3.61306,-0.54217,-0.306337,-0.119379],[11.3726,0.305122,0.159202,0.0565044],[0.58826,0.143729,0.0856,0.0314687],[0.178826,0.079592,0.0461678,0.0177898],[0.0135518,-0.00758796,-0.00328275,0.000516252],[-0.019162,-0.024932,-0.0132859,-0.00422124]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.49
S298 (cal/mol*K) = 5.44
G298 (kcal/mol) = 29.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H5(99); C2H4(72), C3H6(552); C5H7(210)+C2H4(72)(+M)=>C4H5(99)+C3H6(552)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.613e+00 -5.422e-01 -3.063e-01 -1.194e-01 / CHEB/ 1.137e+01 3.051e-01 1.592e-01 5.650e-02 / CHEB/ 5.883e-01 1.437e-01 8.560e-02 3.147e-02 / CHEB/ 1.788e-01 7.959e-02 4.617e-02 1.779e-02 / CHEB/ 1.355e-02 -7.588e-03 -3.283e-03 5.163e-04 / CHEB/ -1.916e-02 -2.493e-02 -1.329e-02 -4.221e-03 /

3748.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-4.7	-0.6	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-4.9	-0.7	+1.5

Chebyshev(coeffs=[[-9.06455,-0.364075,-0.21745,-0.0918457],[16.0158,0.196207,0.108524,0.0395348],[0.424716,0.100426,0.0641876,0.0290888],[0.147944,0.0569575,0.0348101,0.0154151],[0.0160141,-0.00424244,-0.00263151,-0.00100017],[-0.0157017,-0.0174957,-0.00996109,-0.00373844]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.32
S298 (cal/mol*K) = 8.43
G298 (kcal/mol) = 45.81

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(553); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(553)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.065e+00 -3.641e-01 -2.175e-01 -9.185e-02 / CHEB/ 1.602e+01 1.962e-01 1.085e-01 3.953e-02 / CHEB/ 4.247e-01 1.004e-01 6.419e-02 2.909e-02 / CHEB/ 1.479e-01 5.696e-02 3.481e-02 1.542e-02 / CHEB/ 1.601e-02 -4.242e-03 -2.632e-03 -1.000e-03 / CHEB/ -1.570e-02 -1.750e-02 -9.961e-03 -3.738e-03 /

3749.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-4.2	-0.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.4	-1.0	+0.9

Chebyshev(coeffs=[[-5.6085,-0.536608,-0.300315,-0.110033],[11.5749,0.376543,0.188753,0.0508555],[0.662175,0.0586136,0.0497578,0.031329],[0.217247,0.0624193,0.0334318,0.0114215],[0.0529061,0.0156119,0.00832954,0.00248022],[-0.000829675,-0.013891,-0.00664887,-0.001404]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.97
S298 (cal/mol*K) = -8.68
G298 (kcal/mol) = 33.55

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(118); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.609e+00 -5.366e-01 -3.003e-01 -1.100e-01 / CHEB/ 1.157e+01 3.765e-01 1.888e-01 5.086e-02 / CHEB/ 6.622e-01 5.861e-02 4.976e-02 3.133e-02 / CHEB/ 2.172e-01 6.242e-02 3.343e-02 1.142e-02 / CHEB/ 5.291e-02 1.561e-02 8.330e-03 2.480e-03 / CHEB/ -8.297e-04 -1.389e-02 -6.649e-03 -1.404e-03 /

3750.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.1	-6.5	-2.4	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-17.4	-6.7	-2.5	-0.2

Chebyshev(coeffs=[[-9.97636,-0.425853,-0.247778,-0.100475],[14.8128,0.235109,0.126041,0.0446495],[0.670665,0.115191,0.0715483,0.0296473],[0.215473,0.0641925,0.0385477,0.0164437],[0.0330994,-0.00560063,-0.00298481,-0.000516972],[-0.0111891,-0.0198957,-0.0110418,-0.00393349]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.37
S298 (cal/mol*K) = -8.00
G298 (kcal/mol) = 44.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(120); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.976e+00 -4.259e-01 -2.478e-01 -1.005e-01 / CHEB/ 1.481e+01 2.351e-01 1.260e-01 4.465e-02 / CHEB/ 6.707e-01 1.152e-01 7.155e-02 2.965e-02 / CHEB/ 2.155e-01 6.419e-02 3.855e-02 1.644e-02 / CHEB/ 3.310e-02 -5.601e-03 -2.985e-03 -5.170e-04 / CHEB/ -1.119e-02 -1.990e-02 -1.104e-02 -3.933e-03 /

3751.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+2.8	+3.3	+3.6
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.2	+3.1	+3.5

Chebyshev(coeffs=[[7.79895,-1.07923,-0.529934,-0.143959],[1.13106,0.579352,0.269134,0.0576728],[0.422076,0.253954,0.120581,0.0317645],[0.16313,0.1491,0.0650937,0.0113586],[0.0143411,0.00594434,0.00725832,0.00525497],[-0.0244069,-0.0353731,-0.0131194,-0.000141591]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.29
S298 (cal/mol*K) = -44.53
G298 (kcal/mol) = -48.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(554); C2H4(72), C7H11(554); C5H7(210)+C2H4(72)(+M)=>C7H11(554)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.799e+00 -1.079e+00 -5.299e-01 -1.440e-01 / CHEB/ 1.131e+00 5.794e-01 2.691e-01 5.767e-02 / CHEB/ 4.221e-01 2.540e-01 1.206e-01 3.176e-02 / CHEB/ 1.631e-01 1.491e-01 6.509e-02 1.136e-02 / CHEB/ 1.434e-02 5.944e-03 7.258e-03 5.255e-03 / CHEB/ -2.441e-02 -3.537e-02 -1.312e-02 -1.416e-04 /

3752.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.6	+3.5	+3.5	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+2.9	+3.2	+3.4

Chebyshev(coeffs=[[9.01459,-1.1303,-0.550253,-0.145726],[0.162472,0.552288,0.256884,0.0541903],[0.105248,0.270913,0.125482,0.0304537],[0.087452,0.169119,0.071315,0.0110197],[0.00328187,0.0151539,0.0106227,0.00574576],[-0.0254336,-0.0343566,-0.0121933,0.000627025]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -99.00
S298 (cal/mol*K) = -59.21
G298 (kcal/mol) = -81.36

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(555); C2H4(72), C7H11(555); C5H7(210)+C2H4(72)(+M)=>C7H11(555)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.015e+00 -1.130e+00 -5.503e-01 -1.457e-01 / CHEB/ 1.625e-01 5.523e-01 2.569e-01 5.419e-02 / CHEB/ 1.052e-01 2.709e-01 1.255e-01 3.045e-02 / CHEB/ 8.745e-02 1.691e-01 7.131e-02 1.102e-02 / CHEB/ 3.282e-03 1.515e-02 1.062e-02 5.746e-03 / CHEB/ -2.543e-02 -3.436e-02 -1.219e-02 6.270e-04 /

3753.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+2.9	+3.4	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+2.4	+3.2	+3.6

Chebyshev(coeffs=[[8.13299,-1.07061,-0.521512,-0.137901],[0.913936,0.60037,0.282727,0.0640619],[0.375223,0.264365,0.124604,0.0318109],[0.163346,0.146876,0.0614923,0.00821646],[0.0213738,-0.000265091,0.00293951,0.00297612],[-0.0189268,-0.0395332,-0.0149742,-0.000462342]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.63
S298 (cal/mol*K) = -41.62
G298 (kcal/mol) = -44.23

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(556); C2H4(72), C7H11(556); C5H7(210)+C2H4(72)(+M)=>C7H11(556)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.133e+00 -1.071e+00 -5.215e-01 -1.379e-01 / CHEB/ 9.139e-01 6.004e-01 2.827e-01 6.406e-02 / CHEB/ 3.752e-01 2.644e-01 1.246e-01 3.181e-02 / CHEB/ 1.633e-01 1.469e-01 6.149e-02 8.216e-03 / CHEB/ 2.137e-02 -2.651e-04 2.940e-03 2.976e-03 / CHEB/ -1.893e-02 -3.953e-02 -1.497e-02 -4.623e-04 /

3754.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-1.4	+1.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-1.7	+1.2	+2.7

Chebyshev(coeffs=[[-0.589164,-0.686132,-0.367737,-0.129609],[8.15981,0.411971,0.204938,0.0654661],[0.898069,0.161956,0.089301,0.0286496],[0.235561,0.0904898,0.0494455,0.0150977],[0.0216835,-0.00757985,-0.00126471,0.00283337],[-0.0187686,-0.0281444,-0.0137262,-0.00296807]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.10
S298 (cal/mol*K) = -3.27
G298 (kcal/mol) = 10.07

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(210); C2H4(72), C2H4(495); C5H7(210)+C2H4(72)(+M)=>C5H7(210)+C2H4(495)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.892e-01 -6.861e-01 -3.677e-01 -1.296e-01 / CHEB/ 8.160e+00 4.120e-01 2.049e-01 6.547e-02 / CHEB/ 8.981e-01 1.620e-01 8.930e-02 2.865e-02 / CHEB/ 2.356e-01 9.049e-02 4.945e-02 1.510e-02 / CHEB/ 2.168e-02 -7.580e-03 -1.265e-03 2.833e-03 / CHEB/ -1.877e-02 -2.814e-02 -1.373e-02 -2.968e-03 /

3755.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-5.5	-1.5	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-5.6	-1.6	+0.6

Chebyshev(coeffs=[[-8.56453,-0.442278,-0.255663,-0.102689],[14.2543,0.24559,0.130705,0.0461169],[0.674939,0.118937,0.0733088,0.0296406],[0.215042,0.0660795,0.0394675,0.016609],[0.0315404,-0.00592425,-0.00302284,-0.000327212],[-0.0121083,-0.0205172,-0.0113012,-0.00395565]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.74
S298 (cal/mol*K) = -2.81
G298 (kcal/mol) = 32.57

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(557); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>C6H8(557)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.565e+00 -4.423e-01 -2.557e-01 -1.027e-01 / CHEB/ 1.425e+01 2.456e-01 1.307e-01 4.612e-02 / CHEB/ 6.749e-01 1.189e-01 7.331e-02 2.964e-02 / CHEB/ 2.150e-01 6.608e-02 3.947e-02 1.661e-02 / CHEB/ 3.154e-02 -5.924e-03 -3.023e-03 -3.272e-04 / CHEB/ -1.211e-02 -2.052e-02 -1.130e-02 -3.956e-03 /

3756.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.2	-9.1	-4.8	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-9.2	-4.8	-2.5

Chebyshev(coeffs=[[-12.9401,-0.404742,-0.237287,-0.0974015],[15.4742,0.228749,0.123681,0.0440603],[0.727306,0.108553,0.0684531,0.0294321],[0.227656,0.0597176,0.0363006,0.0159413],[0.0370611,-0.00622038,-0.00346525,-0.000883037],[-0.00926032,-0.0192006,-0.0107861,-0.00395673]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.02
S298 (cal/mol*K) = -14.52
G298 (kcal/mol) = 48.34

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(558); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(558)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.294e+01 -4.047e-01 -2.373e-01 -9.740e-02 / CHEB/ 1.547e+01 2.287e-01 1.237e-01 4.406e-02 / CHEB/ 7.273e-01 1.086e-01 6.845e-02 2.943e-02 / CHEB/ 2.277e-01 5.972e-02 3.630e-02 1.594e-02 / CHEB/ 3.706e-02 -6.220e-03 -3.465e-03 -8.830e-04 / CHEB/ -9.260e-03 -1.920e-02 -1.079e-02 -3.957e-03 /

3778.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.7	+3.5	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+2.4	+3.6	+4.1

Chebyshev(coeffs=[[6.06011,-0.739798,-0.091725,0.0277895],[3.26036,1.42359,-0.337664,-0.0254637],[0.1212,0.318804,0.0433825,-0.032854],[-0.0868023,0.180072,0.0321013,-0.0123606],[-0.0832557,0.0966146,0.0195177,-0.00873386],[-0.0708588,0.0238647,0.0195796,-0.00436732]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.72
S298 (cal/mol*K) = 14.26
G298 (kcal/mol) = -11.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(290); H(25), C7H11(290); C7H10(1)+H(25)(+M)=>C7H11(290)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.060e+00 -7.398e-01 -9.173e-02 2.779e-02 / CHEB/ 3.260e+00 1.424e+00 -3.377e-01 -2.546e-02 / CHEB/ 1.212e-01 3.188e-01 4.338e-02 -3.285e-02 / CHEB/ -8.680e-02 1.801e-01 3.210e-02 -1.236e-02 / CHEB/ -8.326e-02 9.661e-02 1.952e-02 -8.734e-03 / CHEB/ -7.086e-02 2.386e-02 1.958e-02 -4.367e-03 /

3779.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+2.5	+4.8	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-5.8	+1.6	+4.3	+5.4

Chebyshev(coeffs=[[1.86802,-1.7047,-0.325752,0.0194556],[9.50146,0.797361,-0.00207837,-0.047233],[0.211572,0.349841,0.041892,-0.0329652],[-0.0198347,0.18602,0.046031,-0.0115781],[-0.0732702,0.0627101,0.0394025,-6.71542e-05],[-0.0636382,-0.00341754,0.021406,0.00654508]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.03
S298 (cal/mol*K) = 51.45
G298 (kcal/mol) = 6.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(103); H(25), C2H4(115); C7H10(1)+H(25)(+M)=>C2H4(115)+C5H7(103)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.868e+00 -1.705e+00 -3.258e-01 1.946e-02 / CHEB/ 9.501e+00 7.974e-01 -2.078e-03 -4.723e-02 / CHEB/ 2.116e-01 3.498e-01 4.189e-02 -3.297e-02 / CHEB/ -1.983e-02 1.860e-01 4.603e-02 -1.158e-02 / CHEB/ -7.327e-02 6.271e-02 3.940e-02 -6.715e-05 / CHEB/ -6.364e-02 -3.418e-03 2.141e-02 6.545e-03 /

3780.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+3.0	+4.9	+5.5
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+2.0	+4.3	+5.3

Chebyshev(coeffs=[[4.04589,-2.27782,-0.353802,0.0861903],[6.96712,1.46396,-0.00481678,-0.148184],[0.449456,0.202718,0.0790539,0.00306574],[0.00695522,0.153054,0.0328809,0.00182461],[-0.0777539,0.0871328,0.0134698,-0.00752269],[-0.0714534,0.0156499,0.0237679,-0.00506183]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.19
S298 (cal/mol*K) = 11.78
G298 (kcal/mol) = -32.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(448); H(25), C7H11(448); C7H10(1)+H(25)(+M)=>C7H11(448)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.046e+00 -2.278e+00 -3.538e-01 8.619e-02 / CHEB/ 6.967e+00 1.464e+00 -4.817e-03 -1.482e-01 / CHEB/ 4.495e-01 2.027e-01 7.905e-02 3.066e-03 / CHEB/ 6.955e-03 1.531e-01 3.288e-02 1.825e-03 / CHEB/ -7.775e-02 8.713e-02 1.347e-02 -7.523e-03 / CHEB/ -7.145e-02 1.565e-02 2.377e-02 -5.062e-03 /

3781.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	+0.1	+2.8	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-0.8	+2.3	+3.7

Chebyshev(coeffs=[[-1.76453,-1.51323,-0.340144,0.0132625],[11.3963,0.698289,0.0278397,-0.0467797],[0.175636,0.332008,0.0544221,-0.0312007],[-0.0175864,0.18353,0.0498445,-0.00902874],[-0.0659821,0.0561422,0.0384041,0.00343428],[-0.0570658,-0.00815865,0.0185278,0.00845964]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.32
S298 (cal/mol*K) = 17.80
G298 (kcal/mol) = -10.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(446); H(25), C7H11(446); C7H10(1)+H(25)(+M)=>C7H11(446)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.765e+00 -1.513e+00 -3.401e-01 1.326e-02 / CHEB/ 1.140e+01 6.983e-01 2.784e-02 -4.678e-02 / CHEB/ 1.756e-01 3.320e-01 5.442e-02 -3.120e-02 / CHEB/ -1.759e-02 1.835e-01 4.984e-02 -9.029e-03 / CHEB/ -6.598e-02 5.614e-02 3.840e-02 3.434e-03 / CHEB/ -5.707e-02 -8.159e-03 1.853e-02 8.460e-03 /

3782.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+3.8	+5.3	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-2.3	+2.7	+4.7	+5.5

Chebyshev(coeffs=[[5.71112,-2.22995,-0.218301,0.0406388],[5.60391,1.18627,-0.15692,-0.0606737],[0.423674,0.332435,0.0494009,-0.0291431],[-0.013486,0.190441,0.035231,-0.0122099],[-0.088097,0.0821057,0.0352059,-0.00676445],[-0.0743432,0.00550967,0.0263577,0.00145639]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.32
S298 (cal/mol*K) = 17.80
G298 (kcal/mol) = -10.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(444); H(25), C7H11(444); C7H10(1)+H(25)(+M)=>C7H11(444)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.711e+00 -2.230e+00 -2.183e-01 4.064e-02 / CHEB/ 5.604e+00 1.186e+00 -1.569e-01 -6.067e-02 / CHEB/ 4.237e-01 3.324e-01 4.940e-02 -2.914e-02 / CHEB/ -1.349e-02 1.904e-01 3.523e-02 -1.221e-02 / CHEB/ -8.810e-02 8.211e-02 3.521e-02 -6.764e-03 / CHEB/ -7.434e-02 5.510e-03 2.636e-02 1.456e-03 /

3783.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-0.0	+2.6	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-0.9	+2.1	+3.4

Chebyshev(coeffs=[[-1.57554,-1.5604,-0.335977,0.0146822],[10.9247,0.731535,0.0214283,-0.0468157],[0.21513,0.337172,0.0524598,-0.0318052],[-0.0120908,0.183771,0.0496696,-0.00944392],[-0.0667584,0.0574612,0.0389761,0.00279622],[-0.0578873,-0.00733588,0.0192401,0.00819739]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.32
S298 (cal/mol*K) = 17.80
G298 (kcal/mol) = -10.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(445); H(25), C7H11(445); C7H10(1)+H(25)(+M)=>C7H11(445)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.576e+00 -1.560e+00 -3.360e-01 1.468e-02 / CHEB/ 1.092e+01 7.315e-01 2.143e-02 -4.682e-02 / CHEB/ 2.151e-01 3.372e-01 5.246e-02 -3.181e-02 / CHEB/ -1.209e-02 1.838e-01 4.967e-02 -9.444e-03 / CHEB/ -6.676e-02 5.746e-02 3.898e-02 2.796e-03 / CHEB/ -5.789e-02 -7.336e-03 1.924e-02 8.197e-03 /

3784.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-1.5	+1.4	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-2.3	+1.0	+2.5

Chebyshev(coeffs=[[-3.29053,-1.51132,-0.333527,0.0130523],[11.4862,0.748045,0.0325063,-0.0472754],[0.34041,0.33416,0.0610947,-0.0302015],[0.0225151,0.179925,0.0535974,-0.00727892],[-0.0517827,0.0533269,0.0393161,0.0048356],[-0.0494455,-0.010457,0.0179469,0.00936258]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.12
S298 (cal/mol*K) = 17.38
G298 (kcal/mol) = -8.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(447); H(25), C7H11(447); C7H10(1)+H(25)(+M)=>C7H11(447)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.291e+00 -1.511e+00 -3.335e-01 1.305e-02 / CHEB/ 1.149e+01 7.480e-01 3.251e-02 -4.728e-02 / CHEB/ 3.404e-01 3.342e-01 6.109e-02 -3.020e-02 / CHEB/ 2.252e-02 1.799e-01 5.360e-02 -7.279e-03 / CHEB/ -5.178e-02 5.333e-02 3.932e-02 4.836e-03 / CHEB/ -4.945e-02 -1.046e-02 1.795e-02 9.363e-03 /

3785.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.5	-5.5	-0.7	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-22.1	-6.0	-0.8	+1.5

Chebyshev(coeffs=[[-14.7616,-0.69941,-0.310615,-0.0515696],[22.7231,0.304623,0.112202,-0.00279305],[-0.274639,0.204296,0.0815199,0.00346887],[-0.101935,0.120672,0.0492862,0.00495103],[-0.0586232,0.0167411,0.0165612,0.0102236],[-0.0369611,-0.0218121,-0.000823693,0.00731572]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.74
S298 (cal/mol*K) = 58.08
G298 (kcal/mol) = 56.43

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(559); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(559)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.476e+01 -6.994e-01 -3.106e-01 -5.157e-02 / CHEB/ 2.272e+01 3.046e-01 1.122e-01 -2.793e-03 / CHEB/ -2.746e-01 2.043e-01 8.152e-02 3.469e-03 / CHEB/ -1.019e-01 1.207e-01 4.929e-02 4.951e-03 / CHEB/ -5.862e-02 1.674e-02 1.656e-02 1.022e-02 / CHEB/ -3.696e-02 -2.181e-02 -8.237e-04 7.316e-03 /

3786.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.0	-6.9	-1.0	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-26.4	-7.2	-1.1	+1.8

Chebyshev(coeffs=[[-18.8647,-0.525286,-0.264593,-0.0686418],[27.0305,0.223569,0.101196,0.014487],[-0.237539,0.159547,0.0734327,0.0120051],[-0.0920614,0.0972572,0.0446394,0.00797965],[-0.0517864,0.0100775,0.0107867,0.00807292],[-0.0317972,-0.0205462,-0.00423738,0.00445594]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.11
S298 (cal/mol*K) = 60.90
G298 (kcal/mol) = 68.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(103); H(25), C2H4(72); C7H10(1)+H(25)(+M)=>C5H7(103)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.886e+01 -5.253e-01 -2.646e-01 -6.864e-02 / CHEB/ 2.703e+01 2.236e-01 1.012e-01 1.449e-02 / CHEB/ -2.375e-01 1.595e-01 7.343e-02 1.201e-02 / CHEB/ -9.206e-02 9.726e-02 4.464e-02 7.980e-03 / CHEB/ -5.179e-02 1.008e-02 1.079e-02 8.073e-03 / CHEB/ -3.180e-02 -2.055e-02 -4.237e-03 4.456e-03 /

3787.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.3	-12.1	-5.3	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-33.6	-12.4	-5.4	-2.1

Chebyshev(coeffs=[[-25.8863,-0.435654,-0.232941,-0.0723005],[30.0155,0.182927,0.0908987,0.0209067],[-0.117214,0.135694,0.0670303,0.0153091],[-0.0564568,0.0847627,0.0413469,0.00935077],[-0.0375168,0.00730781,0.00804879,0.00645527],[-0.0248752,-0.0193683,-0.00561665,0.00267389]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.78
S298 (cal/mol*K) = 48.63
G298 (kcal/mol) = 81.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(87); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.589e+01 -4.357e-01 -2.329e-01 -7.230e-02 / CHEB/ 3.002e+01 1.829e-01 9.090e-02 2.091e-02 / CHEB/ -1.172e-01 1.357e-01 6.703e-02 1.531e-02 / CHEB/ -5.646e-02 8.476e-02 4.135e-02 9.351e-03 / CHEB/ -3.752e-02 7.308e-03 8.049e-03 6.455e-03 / CHEB/ -2.488e-02 -1.937e-02 -5.617e-03 2.674e-03 /

3788.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.3	-12.1	-5.3	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-33.6	-12.4	-5.4	-2.1

H298 (kcal/mol) = 95.78
S298 (cal/mol*K) = 48.63
G298 (kcal/mol) = 81.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(85); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.589e+01 -4.357e-01 -2.329e-01 -7.230e-02 / CHEB/ 3.002e+01 1.829e-01 9.090e-02 2.091e-02 / CHEB/ -1.172e-01 1.357e-01 6.703e-02 1.531e-02 / CHEB/ -5.646e-02 8.476e-02 4.135e-02 9.351e-03 / CHEB/ -3.752e-02 7.308e-03 8.049e-03 6.455e-03 / CHEB/ -2.488e-02 -1.937e-02 -5.617e-03 2.674e-03 /

3789.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.3	-12.1	-5.3	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-33.6	-12.4	-5.4	-2.1

H298 (kcal/mol) = 95.78
S298 (cal/mol*K) = 48.63
G298 (kcal/mol) = 81.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(86); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.589e+01 -4.357e-01 -2.329e-01 -7.230e-02 / CHEB/ 3.002e+01 1.829e-01 9.090e-02 2.091e-02 / CHEB/ -1.172e-01 1.357e-01 6.703e-02 1.531e-02 / CHEB/ -5.646e-02 8.476e-02 4.135e-02 9.351e-03 / CHEB/ -3.752e-02 7.308e-03 8.049e-03 6.455e-03 / CHEB/ -2.488e-02 -1.937e-02 -5.617e-03 2.674e-03 /

3790.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.3	-11.6	-4.6	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-33.6	-11.8	-4.7	-1.2

Chebyshev(coeffs=[[-25.7964,-0.41456,-0.224746,-0.0725169],[30.74,0.173231,0.0878985,0.0219774],[-0.0954809,0.129904,0.0652312,0.0159011],[-0.0501091,0.0817452,0.0404622,0.00963993],[-0.0348214,0.00675009,0.00745192,0.00604779],[-0.0234696,-0.0189996,-0.005875,0.00224687]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.98
S298 (cal/mol*K) = 48.21
G298 (kcal/mol) = 83.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(88); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.580e+01 -4.146e-01 -2.247e-01 -7.252e-02 / CHEB/ 3.074e+01 1.732e-01 8.790e-02 2.198e-02 / CHEB/ -9.548e-02 1.299e-01 6.523e-02 1.590e-02 / CHEB/ -5.011e-02 8.175e-02 4.046e-02 9.640e-03 / CHEB/ -3.482e-02 6.750e-03 7.452e-03 6.048e-03 / CHEB/ -2.347e-02 -1.900e-02 -5.875e-03 2.247e-03 /

3791.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.1	-7.1	-1.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-25.6	-7.5	-1.6	+1.1

Chebyshev(coeffs=[[-18.06,-0.610347,-0.302411,-0.0777262],[25.468,0.256503,0.10404,0.00472448],[-0.107824,0.172584,0.0805449,0.0156167],[-0.0697607,0.107051,0.0524451,0.0135848],[-0.059149,0.0147956,0.0158247,0.0113676],[-0.0430216,-0.0193218,-0.00320914,0.00463807]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.20
S298 (cal/mol*K) = 52.44
G298 (kcal/mol) = 56.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(560); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(560)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.806e+01 -6.103e-01 -3.024e-01 -7.773e-02 / CHEB/ 2.547e+01 2.565e-01 1.040e-01 4.724e-03 / CHEB/ -1.078e-01 1.726e-01 8.054e-02 1.562e-02 / CHEB/ -6.976e-02 1.071e-01 5.245e-02 1.358e-02 / CHEB/ -5.915e-02 1.480e-02 1.582e-02 1.137e-02 / CHEB/ -4.302e-02 -1.932e-02 -3.209e-03 4.638e-03 /

3792.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.5	-13.0	-6.1	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-34.8	-13.3	-6.2	-2.7

Chebyshev(coeffs=[[-27.0525,-0.420298,-0.226766,-0.072199],[30.4889,0.180511,0.0908262,0.0220059],[-0.0692172,0.131349,0.065888,0.0160101],[-0.0362338,0.0813836,0.0402921,0.00964448],[-0.0252045,0.00593755,0.00720913,0.00613333],[-0.0206371,-0.0194541,-0.00604175,0.00225208]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.98
S298 (cal/mol*K) = 45.59
G298 (kcal/mol) = 83.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(561); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(561)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.705e+01 -4.203e-01 -2.268e-01 -7.220e-02 / CHEB/ 3.049e+01 1.805e-01 9.083e-02 2.201e-02 / CHEB/ -6.922e-02 1.313e-01 6.589e-02 1.601e-02 / CHEB/ -3.623e-02 8.138e-02 4.029e-02 9.644e-03 / CHEB/ -2.520e-02 5.938e-03 7.209e-03 6.133e-03 / CHEB/ -2.064e-02 -1.945e-02 -6.042e-03 2.252e-03 /

3802.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.7	-11.8	-5.2	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-30.7	-11.9	-5.2	-1.8

Chebyshev(coeffs=[[-22.6883,-0.0153879,-0.0102826,-0.00536483],[26.2713,-0.00206006,-0.00161951,-0.00104058],[0.465838,-0.0025724,-0.00195097,-0.00120316],[0.114823,0.000131256,3.72711e-05,-2.11001e-05],[0.00267542,0.00204355,0.00145645,0.000826606],[-0.00902145,0.00213422,0.00150872,0.000849829]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.62
S298 (cal/mol*K) = 29.77
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(250); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(250)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.269e+01 -1.539e-02 -1.028e-02 -5.365e-03 / CHEB/ 2.627e+01 -2.060e-03 -1.620e-03 -1.041e-03 / CHEB/ 4.658e-01 -2.572e-03 -1.951e-03 -1.203e-03 / CHEB/ 1.148e-01 1.313e-04 3.727e-05 -2.110e-05 / CHEB/ 2.675e-03 2.044e-03 1.456e-03 8.266e-04 / CHEB/ -9.021e-03 2.134e-03 1.509e-03 8.498e-04 /

3803.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.0	-14.1	-7.0	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-34.0	-14.1	-7.0	-3.4

Chebyshev(coeffs=[[-25.8242,-0.0131238,-0.00876252,-0.00456154],[27.7083,-0.00224019,-0.00173482,-0.0011012],[0.572869,-0.00236145,-0.00179146,-0.00110816],[0.144074,0.000153381,6.67509e-05,5.61004e-06],[0.0116355,0.00181519,0.00130325,0.00074866],[-0.00602124,0.00188072,0.00133226,0.000753868]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.47
S298 (cal/mol*K) = 21.68
G298 (kcal/mol) = 76.01

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(562); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(562)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.582e+01 -1.312e-02 -8.763e-03 -4.562e-03 / CHEB/ 2.771e+01 -2.240e-03 -1.735e-03 -1.101e-03 / CHEB/ 5.729e-01 -2.361e-03 -1.791e-03 -1.108e-03 / CHEB/ 1.441e-01 1.534e-04 6.675e-05 5.610e-06 / CHEB/ 1.164e-02 1.815e-03 1.303e-03 7.487e-04 / CHEB/ -6.021e-03 1.881e-03 1.332e-03 7.539e-04 /

3836.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-2.1	+1.4	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-2.4	+1.3	+3.1

Chebyshev(coeffs=[[-4.84388,-0.912657,-0.351335,-0.0493204],[13.3721,0.661719,0.201777,-0.00432077],[0.516967,0.159021,0.0709636,0.00628512],[0.104559,0.0515,0.0254546,0.00637234],[-0.00933378,-0.00431815,0.0108402,0.00995438],[-0.0243354,-0.0200248,-0.000707992,0.00654308]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.49
S298 (cal/mol*K) = 40.42
G298 (kcal/mol) = 19.45

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(375); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(375)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.844e+00 -9.127e-01 -3.513e-01 -4.932e-02 / CHEB/ 1.337e+01 6.617e-01 2.018e-01 -4.321e-03 / CHEB/ 5.170e-01 1.590e-01 7.096e-02 6.285e-03 / CHEB/ 1.046e-01 5.150e-02 2.545e-02 6.372e-03 / CHEB/ -9.334e-03 -4.318e-03 1.084e-02 9.954e-03 / CHEB/ -2.434e-02 -2.002e-02 -7.080e-04 6.543e-03 /

3837.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-0.8	+2.0	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-1.2	+1.8	+3.4

Chebyshev(coeffs=[[-1.69058,-1.32704,-0.379474,-0.0285518],[10.413,1.03192,0.196362,-0.0275711],[0.552446,0.201893,0.0816314,-0.00131506],[0.0975824,0.0380039,0.0272356,0.00606933],[-0.0120029,-0.00648581,0.0163599,0.0102486],[-0.0241085,-0.0202087,0.00405028,0.0091639]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.79
S298 (cal/mol*K) = 17.40
G298 (kcal/mol) = -10.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(563); H(25), C7H11(563); C7H10(1)+H(25)(+M)=>C7H11(563)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.691e+00 -1.327e+00 -3.795e-01 -2.855e-02 / CHEB/ 1.041e+01 1.032e+00 1.964e-01 -2.757e-02 / CHEB/ 5.524e-01 2.019e-01 8.163e-02 -1.315e-03 / CHEB/ 9.758e-02 3.800e-02 2.724e-02 6.069e-03 / CHEB/ -1.200e-02 -6.486e-03 1.636e-02 1.025e-02 / CHEB/ -2.411e-02 -2.021e-02 4.050e-03 9.164e-03 /

3838.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.9	+0.4	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-3.2	+0.3	+2.0

Chebyshev(coeffs=[[-5.28373,-0.966812,-0.360937,-0.047099],[12.7788,0.692298,0.201377,-0.00776556],[0.426876,0.171801,0.0725464,0.00414225],[0.0872317,0.0538198,0.0259695,0.00571764],[-0.00718531,-0.00400979,0.012174,0.0102454],[-0.0244144,-0.0200592,0.000505267,0.0073019]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.79
S298 (cal/mol*K) = 17.40
G298 (kcal/mol) = -10.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(564); H(25), C7H11(564); C7H10(1)+H(25)(+M)=>C7H11(564)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.284e+00 -9.668e-01 -3.609e-01 -4.710e-02 / CHEB/ 1.278e+01 6.923e-01 2.014e-01 -7.766e-03 / CHEB/ 4.269e-01 1.718e-01 7.255e-02 4.142e-03 / CHEB/ 8.723e-02 5.382e-02 2.597e-02 5.718e-03 / CHEB/ -7.185e-03 -4.010e-03 1.217e-02 1.025e-02 / CHEB/ -2.441e-02 -2.006e-02 5.053e-04 7.302e-03 /

3839.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+2.4	+3.6	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+1.6	+3.3	+4.0

Chebyshev(coeffs=[[4.87921,-2.35557,-0.305858,-0.0183043],[4.79853,1.74789,0.0303669,-0.040661],[0.358754,0.409131,0.0757436,-0.0103859],[-0.0278171,0.0580154,0.0405752,0.00350053],[-0.0410314,-0.00259709,0.026612,0.00135985],[-0.0264374,-0.0168944,0.0199275,0.00563023]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.23
S298 (cal/mol*K) = 14.40
G298 (kcal/mol) = -33.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(484); H(25), C7H11(484); C7H10(1)+H(25)(+M)=>C7H11(484)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.879e+00 -2.356e+00 -3.059e-01 -1.830e-02 / CHEB/ 4.799e+00 1.748e+00 3.037e-02 -4.066e-02 / CHEB/ 3.588e-01 4.091e-01 7.574e-02 -1.039e-02 / CHEB/ -2.782e-02 5.802e-02 4.058e-02 3.501e-03 / CHEB/ -4.103e-02 -2.597e-03 2.661e-02 1.360e-03 / CHEB/ -2.644e-02 -1.689e-02 1.993e-02 5.630e-03 /

3840.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-2.0	+0.6	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-2.4	+0.5	+1.9

Chebyshev(coeffs=[[-2.46829,-1.42698,-0.380547,-0.0257786],[9.75844,1.10595,0.185673,-0.0308597],[0.506034,0.218755,0.0825596,-0.00365964],[0.0798773,0.0372996,0.0286684,0.00537808],[-0.0173446,-0.0060862,0.0180357,0.00980389],[-0.025763,-0.0197689,0.00576798,0.00965394]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.79
S298 (cal/mol*K) = 17.40
G298 (kcal/mol) = -10.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(565); H(25), C7H11(565); C7H10(1)+H(25)(+M)=>C7H11(565)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.468e+00 -1.427e+00 -3.805e-01 -2.578e-02 / CHEB/ 9.758e+00 1.106e+00 1.857e-01 -3.086e-02 / CHEB/ 5.060e-01 2.188e-01 8.256e-02 -3.660e-03 / CHEB/ 7.988e-02 3.730e-02 2.867e-02 5.378e-03 / CHEB/ -1.734e-02 -6.086e-03 1.804e-02 9.804e-03 / CHEB/ -2.576e-02 -1.977e-02 5.768e-03 9.654e-03 /

3841.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+3.0	+4.2	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+2.1	+3.7	+4.6

Chebyshev(coeffs=[[4.96028,-2.96755,-0.576902,-0.0622967],[5.33449,2.41872,0.0772066,-0.0667219],[0.292925,0.119489,0.199229,0.0174312],[-0.0280195,-0.00668897,0.0780863,0.0214446],[-0.00364479,0.0681908,0.0203636,0.0109335],[-0.00752414,0.0507769,0.0065564,0.00261912]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.59
S298 (cal/mol*K) = 16.98
G298 (kcal/mol) = -8.64

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(566); H(25), C7H11(566); C7H10(1)+H(25)(+M)=>C7H11(566)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.960e+00 -2.968e+00 -5.769e-01 -6.230e-02 / CHEB/ 5.334e+00 2.419e+00 7.721e-02 -6.672e-02 / CHEB/ 2.929e-01 1.195e-01 1.992e-01 1.743e-02 / CHEB/ -2.802e-02 -6.689e-03 7.809e-02 2.144e-02 / CHEB/ -3.645e-03 6.819e-02 2.036e-02 1.093e-02 / CHEB/ -7.524e-03 5.078e-02 6.556e-03 2.619e-03 /

3842.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	+1.7	+4.6	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-9.0	+0.9	+4.2	+5.7

Chebyshev(coeffs=[[-1.46467,-1.61332,-0.681277,-0.112662],[12.9919,0.885776,0.258504,-0.038733],[0.28597,0.273411,0.151594,0.0376596],[-0.0269743,0.164339,0.0722221,0.0135258],[-0.0872938,0.0448085,0.0305839,0.0138485],[-0.0746662,-0.0204344,0.00105765,0.00855644]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.73
S298 (cal/mol*K) = 48.55
G298 (kcal/mol) = 20.26

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(365); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C3H5(98)+C4H6(365)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.465e+00 -1.613e+00 -6.813e-01 -1.127e-01 / CHEB/ 1.299e+01 8.858e-01 2.585e-01 -3.873e-02 / CHEB/ 2.860e-01 2.734e-01 1.516e-01 3.766e-02 / CHEB/ -2.697e-02 1.643e-01 7.222e-02 1.353e-02 / CHEB/ -8.729e-02 4.481e-02 3.058e-02 1.385e-02 / CHEB/ -7.467e-02 -2.043e-02 1.058e-03 8.556e-03 /

3843.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.6	-7.2	-2.1	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-21.9	-7.4	-2.2	+0.4

Chebyshev(coeffs=[[-14.4043,-0.385807,-0.209231,-0.068703],[20.3884,0.218449,0.108232,0.0255676],[0.326875,0.0887671,0.047327,0.0143738],[0.0989523,0.0526324,0.0269955,0.0075831],[0.0301484,0.00112082,0.00418009,0.00463148],[-0.0117867,-0.0150263,-0.00510201,0.00120239]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.97
S298 (cal/mol*K) = 40.06
G298 (kcal/mol) = 47.04

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(108); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.440e+01 -3.858e-01 -2.092e-01 -6.870e-02 / CHEB/ 2.039e+01 2.184e-01 1.082e-01 2.557e-02 / CHEB/ 3.269e-01 8.877e-02 4.733e-02 1.437e-02 / CHEB/ 9.895e-02 5.263e-02 2.700e-02 7.583e-03 / CHEB/ 3.015e-02 1.121e-03 4.180e-03 4.631e-03 / CHEB/ -1.179e-02 -1.503e-02 -5.102e-03 1.202e-03 /

3844.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.6	-11.2	-4.6	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-30.8	-11.3	-4.6	-1.3

Chebyshev(coeffs=[[-22.8664,-0.206834,-0.123662,-0.0514214],[27.2523,0.0979098,0.0551052,0.019576],[0.291825,0.0526389,0.0302018,0.0113499],[0.0354924,0.0390175,0.0225206,0.00860813],[-0.0252441,0.00232324,0.00303777,0.00275084],[-0.0252511,-0.0105066,-0.00485319,-0.000680515]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.41
S298 (cal/mol*K) = 44.44
G298 (kcal/mol) = 69.17

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(371); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(371)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.287e+01 -2.068e-01 -1.237e-01 -5.142e-02 / CHEB/ 2.725e+01 9.791e-02 5.511e-02 1.958e-02 / CHEB/ 2.918e-01 5.264e-02 3.020e-02 1.135e-02 / CHEB/ 3.549e-02 3.902e-02 2.252e-02 8.608e-03 / CHEB/ -2.524e-02 2.323e-03 3.038e-03 2.751e-03 / CHEB/ -2.525e-02 -1.051e-02 -4.853e-03 -6.805e-04 /

3845.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.5	-12.0	-5.5	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-31.6	-12.1	-5.5	-2.2

Chebyshev(coeffs=[[-23.705,-0.207327,-0.123933,-0.0515126],[27.2024,0.0981512,0.0552308,0.0196123],[0.28836,0.0527614,0.0302662,0.0113685],[0.034506,0.0390991,0.0225561,0.00861089],[-0.0255759,0.00233487,0.0030463,0.00275537],[-0.0253798,-0.0105233,-0.00485637,-0.00067583]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.41
S298 (cal/mol*K) = 44.44
G298 (kcal/mol) = 69.17

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(110); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(110)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.370e+01 -2.073e-01 -1.239e-01 -5.151e-02 / CHEB/ 2.720e+01 9.815e-02 5.523e-02 1.961e-02 / CHEB/ 2.884e-01 5.276e-02 3.027e-02 1.137e-02 / CHEB/ 3.451e-02 3.910e-02 2.256e-02 8.611e-03 / CHEB/ -2.558e-02 2.335e-03 3.046e-03 2.755e-03 / CHEB/ -2.538e-02 -1.052e-02 -4.856e-03 -6.758e-04 /

3846.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.1	-11.6	-4.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-31.2	-11.7	-5.0	-1.7

Chebyshev(coeffs=[[-23.2889,-0.207327,-0.123933,-0.0515126],[27.3092,0.0981512,0.0552308,0.0196123],[0.311958,0.0527614,0.0302662,0.0113685],[0.0414538,0.0390991,0.0225561,0.00861089],[-0.0232755,0.00233487,0.0030463,0.00275537],[-0.0245694,-0.0105233,-0.00485637,-0.00067583]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.41
S298 (cal/mol*K) = 44.44
G298 (kcal/mol) = 69.17

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(372); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(372)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.329e+01 -2.073e-01 -1.239e-01 -5.151e-02 / CHEB/ 2.731e+01 9.815e-02 5.523e-02 1.961e-02 / CHEB/ 3.120e-01 5.276e-02 3.027e-02 1.137e-02 / CHEB/ 4.145e-02 3.910e-02 2.256e-02 8.611e-03 / CHEB/ -2.328e-02 2.335e-03 3.046e-03 2.755e-03 / CHEB/ -2.457e-02 -1.052e-02 -4.856e-03 -6.758e-04 /

3847.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-2.8	+0.4	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-3.5	-0.0	+1.6

Chebyshev(coeffs=[[-4.7541,-1.29857,-0.399781,-0.0254897],[11.8069,0.707294,0.161384,-0.011544],[0.632461,0.192931,0.0477789,-0.0106811],[0.0345261,0.146701,0.0217023,-0.0129456],[-0.0908037,0.0735821,0.0303082,-0.000458996],[-0.0587488,-9.79939e-05,0.0208163,0.00796295]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.17
S298 (cal/mol*K) = 14.33
G298 (kcal/mol) = -4.44

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(567); H(25), C7H11(567); C7H10(1)+H(25)(+M)=>C7H11(567)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.754e+00 -1.299e+00 -3.998e-01 -2.549e-02 / CHEB/ 1.181e+01 7.073e-01 1.614e-01 -1.154e-02 / CHEB/ 6.325e-01 1.929e-01 4.778e-02 -1.068e-02 / CHEB/ 3.453e-02 1.467e-01 2.170e-02 -1.295e-02 / CHEB/ -9.080e-02 7.358e-02 3.031e-02 -4.590e-04 / CHEB/ -5.875e-02 -9.799e-05 2.082e-02 7.963e-03 /

3848.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+3.8	+5.0	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+3.4	+5.3	+5.8

Chebyshev(coeffs=[[4.41212,-1.33243,-0.720857,-0.0321473],[6.59425,2.1536,0.0742849,-0.113654],[0.164898,0.398122,0.174585,-0.00561049],[-0.146993,0.166709,0.096809,0.0101424],[-0.150473,0.0496745,0.0407009,0.0133031],[-0.0883496,-0.0177186,0.00818151,0.00899515]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.74
S298 (cal/mol*K) = 18.83
G298 (kcal/mol) = -18.35

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(568); H(25), C7H11(568); C7H10(1)+H(25)(+M)=>C7H11(568)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.412e+00 -1.332e+00 -7.209e-01 -3.215e-02 / CHEB/ 6.594e+00 2.154e+00 7.428e-02 -1.137e-01 / CHEB/ 1.649e-01 3.981e-01 1.746e-01 -5.610e-03 / CHEB/ -1.470e-01 1.667e-01 9.681e-02 1.014e-02 / CHEB/ -1.505e-01 4.967e-02 4.070e-02 1.330e-02 / CHEB/ -8.835e-02 -1.772e-02 8.182e-03 8.995e-03 /

3849.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.9	-14.4	-6.3	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-39.0	-14.5	-6.3	-2.3

Chebyshev(coeffs=[[-30.7478,-0.135836,-0.0852824,-0.0391705],[34.3274,0.0710512,0.0432838,0.0185567],[0.171814,0.0343712,0.0202826,0.00810219],[-0.00758588,0.0221811,0.0139082,0.00638986],[-0.0386838,-0.00154701,0.000283039,0.00130846],[-0.0276978,-0.00754079,-0.00406029,-0.00123383]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.84
S298 (cal/mol*K) = 55.02
G298 (kcal/mol) = 81.45

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(569); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>C6H9(569)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.075e+01 -1.358e-01 -8.528e-02 -3.917e-02 / CHEB/ 3.433e+01 7.105e-02 4.328e-02 1.856e-02 / CHEB/ 1.718e-01 3.437e-02 2.028e-02 8.102e-03 / CHEB/ -7.586e-03 2.218e-02 1.391e-02 6.390e-03 / CHEB/ -3.868e-02 -1.547e-03 2.830e-04 1.308e-03 / CHEB/ -2.770e-02 -7.541e-03 -4.060e-03 -1.234e-03 /

3850.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+2.5	+3.7	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+1.7	+3.3	+4.0

Chebyshev(coeffs=[[4.81934,-2.33104,-0.313559,-0.0180044],[4.97237,1.71088,0.0328317,-0.0425126],[0.321926,0.397201,0.0737123,-0.0100634],[-0.0475958,0.0601969,0.0391121,0.00242724],[-0.0514409,0.00120729,0.026676,0.00109152],[-0.0316357,-0.0144208,0.0201781,0.00572255]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.39
S298 (cal/mol*K) = 8.64
G298 (kcal/mol) = -10.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(547); H(25), C7H11(547); C7H10(1)+H(25)(+M)=>C7H11(547)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.819e+00 -2.331e+00 -3.136e-01 -1.800e-02 / CHEB/ 4.972e+00 1.711e+00 3.283e-02 -4.251e-02 / CHEB/ 3.219e-01 3.972e-01 7.371e-02 -1.006e-02 / CHEB/ -4.760e-02 6.020e-02 3.911e-02 2.427e-03 / CHEB/ -5.144e-02 1.207e-03 2.668e-02 1.092e-03 / CHEB/ -3.164e-02 -1.442e-02 2.018e-02 5.723e-03 /

3851.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+4.5	+6.3	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+3.6	+5.8	+6.8

Chebyshev(coeffs=[[6.322,-2.30902,-0.36825,-0.0234065],[5.83584,1.5548,-0.023147,-0.0557878],[0.621595,0.294577,0.0501023,-0.0210508],[0.0724497,0.0377338,0.0476216,-0.00766895],[-0.0370932,0.024049,0.0451021,-0.000320535],[-0.0584501,0.018684,0.0302728,0.01042]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.17
S298 (cal/mol*K) = 44.89
G298 (kcal/mol) = -21.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(370); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C3H5(98)+C4H6(370)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.322e+00 -2.309e+00 -3.682e-01 -2.341e-02 / CHEB/ 5.836e+00 1.555e+00 -2.315e-02 -5.579e-02 / CHEB/ 6.216e-01 2.946e-01 5.010e-02 -2.105e-02 / CHEB/ 7.245e-02 3.773e-02 4.762e-02 -7.669e-03 / CHEB/ -3.709e-02 2.405e-02 4.510e-02 -3.205e-04 / CHEB/ -5.845e-02 1.868e-02 3.027e-02 1.042e-02 /

3852.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+2.7	+4.3	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+1.7	+3.7	+4.6

Chebyshev(coeffs=[[4.92433,-2.46772,-0.364561,-0.0254956],[5.11198,1.59144,-0.0614444,-0.056323],[0.579747,0.344357,0.0432747,-0.0259718],[0.0708725,0.0579416,0.0543108,-0.00626177],[-0.0343316,0.03007,0.0523758,-0.00015461],[-0.0582847,0.0212095,0.0358692,0.0104355]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.75
S298 (cal/mol*K) = 10.01
G298 (kcal/mol) = -33.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(542); H(25), C7H11(542); C7H10(1)+H(25)(+M)=>C7H11(542)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.924e+00 -2.468e+00 -3.646e-01 -2.550e-02 / CHEB/ 5.112e+00 1.591e+00 -6.144e-02 -5.632e-02 / CHEB/ 5.797e-01 3.444e-01 4.327e-02 -2.597e-02 / CHEB/ 7.087e-02 5.794e-02 5.431e-02 -6.262e-03 / CHEB/ -3.433e-02 3.007e-02 5.238e-02 -1.546e-04 / CHEB/ -5.828e-02 2.121e-02 3.587e-02 1.044e-02 /

3853.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.6	-14.0	-5.8	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-38.7	-14.1	-5.9	-1.8

Chebyshev(coeffs=[[-30.4709,-0.134481,-0.0845619,-0.0389613],[34.5257,0.070492,0.0430587,0.0185728],[0.172998,0.0341062,0.0201496,0.00806974],[-0.0073518,0.0218249,0.0137031,0.00631247],[-0.0385919,-0.00165179,0.000198767,0.00125444],[-0.0276154,-0.00748119,-0.00404087,-0.00124086]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.68
S298 (cal/mol*K) = 58.06
G298 (kcal/mol) = 81.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(570); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C5H8(570)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.047e+01 -1.345e-01 -8.456e-02 -3.896e-02 / CHEB/ 3.453e+01 7.049e-02 4.306e-02 1.857e-02 / CHEB/ 1.730e-01 3.411e-02 2.015e-02 8.070e-03 / CHEB/ -7.352e-03 2.182e-02 1.370e-02 6.312e-03 / CHEB/ -3.859e-02 -1.652e-03 1.988e-04 1.254e-03 / CHEB/ -2.762e-02 -7.481e-03 -4.041e-03 -1.241e-03 /

3858.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+0.2	+2.0	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.0	+1.9	+2.9

Chebyshev(coeffs=[[1.6466,-0.404667,-0.147139,-0.00806522],[6.85829,0.239293,0.0662308,-0.0105771],[0.374942,0.06389,0.0239982,-0.00195409],[0.0290014,0.0453006,0.0178993,0.00301544],[-0.0266418,0.0238708,0.011561,0.00278295],[-0.0239013,0.00183438,0.00467281,0.00250095]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.75
S298 (cal/mol*K) = -1.00
G298 (kcal/mol) = 15.04

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(397); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(397)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.647e+00 -4.047e-01 -1.471e-01 -8.065e-03 / CHEB/ 6.858e+00 2.393e-01 6.623e-02 -1.058e-02 / CHEB/ 3.749e-01 6.389e-02 2.400e-02 -1.954e-03 / CHEB/ 2.900e-02 4.530e-02 1.790e-02 3.015e-03 / CHEB/ -2.664e-02 2.387e-02 1.156e-02 2.783e-03 / CHEB/ -2.390e-02 1.834e-03 4.673e-03 2.501e-03 /

3859.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	+0.0	+1.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.5	-0.2	+1.8	+2.8

Chebyshev(coeffs=[[1.44125,-0.398667,-0.146853,-0.00898974],[6.9712,0.233785,0.0665252,-0.00951142],[0.366288,0.063706,0.0237094,-0.00189919],[0.0283495,0.0454371,0.0178935,0.00290649],[-0.0265405,0.0238494,0.0115604,0.00275792],[-0.0237676,0.00180199,0.0046262,0.00251256]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.11
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = 17.17

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(21); H(25), H(25); C7H10(65)+H(25)(+M)=>C7H10(21)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.441e+00 -3.987e-01 -1.469e-01 -8.990e-03 / CHEB/ 6.971e+00 2.338e-01 6.653e-02 -9.511e-03 / CHEB/ 3.663e-01 6.371e-02 2.371e-02 -1.899e-03 / CHEB/ 2.835e-02 4.544e-02 1.789e-02 2.906e-03 / CHEB/ -2.654e-02 2.385e-02 1.156e-02 2.758e-03 / CHEB/ -2.377e-02 1.802e-03 4.626e-03 2.513e-03 /

3860.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-1.7	+0.4	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-1.9	+0.3	+1.3

Chebyshev(coeffs=[[-1.35425,-0.323143,-0.138529,-0.0205156],[8.50565,0.161951,0.0634866,0.0041416],[0.205287,0.0610067,0.0206582,-0.00188057],[0.00782882,0.0481442,0.0181438,0.00142042],[-0.027813,0.0236216,0.011589,0.00257078],[-0.023279,0.00130586,0.00408488,0.00267598]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.02
S298 (cal/mol*K) = -22.31
G298 (kcal/mol) = -10.37

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(398); H(25), C7H11(398); C7H10(65)+H(25)(+M)=>C7H11(398)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.354e+00 -3.231e-01 -1.385e-01 -2.052e-02 / CHEB/ 8.506e+00 1.620e-01 6.349e-02 4.142e-03 / CHEB/ 2.053e-01 6.101e-02 2.066e-02 -1.881e-03 / CHEB/ 7.829e-03 4.814e-02 1.814e-02 1.420e-03 / CHEB/ -2.781e-02 2.362e-02 1.159e-02 2.571e-03 / CHEB/ -2.328e-02 1.306e-03 4.085e-03 2.676e-03 /

3861.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+0.2	+2.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-4.9	-0.0	+1.8	+2.7

Chebyshev(coeffs=[[2.05416,-0.434864,-0.147851,-0.00351152],[6.29447,0.266301,0.063614,-0.0157393],[0.411004,0.0647456,0.0255226,-0.00238267],[0.0294022,0.0448906,0.0179618,0.00351083],[-0.0277543,0.024002,0.0115775,0.00292784],[-0.0248726,0.00198049,0.00492313,0.00244896]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.72
S298 (cal/mol*K) = -23.04
G298 (kcal/mol) = -14.85

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(399); H(25), C7H11(399); C7H10(65)+H(25)(+M)=>C7H11(399)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.054e+00 -4.349e-01 -1.479e-01 -3.512e-03 / CHEB/ 6.294e+00 2.663e-01 6.361e-02 -1.574e-02 / CHEB/ 4.110e-01 6.475e-02 2.552e-02 -2.383e-03 / CHEB/ 2.940e-02 4.489e-02 1.796e-02 3.511e-03 / CHEB/ -2.775e-02 2.400e-02 1.158e-02 2.928e-03 / CHEB/ -2.487e-02 1.980e-03 4.923e-03 2.449e-03 /

3862.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+1.1	+2.0	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+0.8	+1.9	+2.3

Chebyshev(coeffs=[[5.3214,-0.633848,-0.135039,0.0158469],[2.66118,0.40449,0.0267155,-0.0285871],[0.383884,0.0917472,0.0275119,-0.0161467],[0.0316473,0.0541141,0.0211678,0.00459693],[-0.0252092,0.0242091,0.0134898,0.00517671],[-0.0304438,0.000615325,0.00707424,0.00258355]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.12
S298 (cal/mol*K) = -24.42
G298 (kcal/mol) = -12.84

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(400); H(25), C7H11(400); C7H10(65)+H(25)(+M)=>C7H11(400)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.321e+00 -6.338e-01 -1.350e-01 1.585e-02 / CHEB/ 2.661e+00 4.045e-01 2.672e-02 -2.859e-02 / CHEB/ 3.839e-01 9.175e-02 2.751e-02 -1.615e-02 / CHEB/ 3.165e-02 5.411e-02 2.117e-02 4.597e-03 / CHEB/ -2.521e-02 2.421e-02 1.349e-02 5.177e-03 / CHEB/ -3.044e-02 6.153e-04 7.074e-03 2.584e-03 /

3863.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.8	-11.4	-5.7	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-28.9	-11.5	-5.7	-2.9

Chebyshev(coeffs=[[-21.5698,-0.0991534,-0.0503908,-0.0126493],[24.8184,0.0514841,0.0261673,0.0063491],[-0.144454,0.0378186,0.0148035,-0.000753095],[-0.0140219,0.0137944,0.00747299,0.00245032],[-0.00135879,-0.0022504,0.00215372,0.00383715],[-0.00114106,-0.00401421,-0.00059286,0.00128736]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.98
S298 (cal/mol*K) = 9.62
G298 (kcal/mol) = 79.11

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(48); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.157e+01 -9.915e-02 -5.039e-02 -1.265e-02 / CHEB/ 2.482e+01 5.148e-02 2.617e-02 6.349e-03 / CHEB/ -1.445e-01 3.782e-02 1.480e-02 -7.531e-04 / CHEB/ -1.402e-02 1.379e-02 7.473e-03 2.450e-03 / CHEB/ -1.359e-03 -2.250e-03 2.154e-03 3.837e-03 / CHEB/ -1.141e-03 -4.014e-03 -5.929e-04 1.287e-03 /

3864.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.2	-10.7	-5.0	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-28.3	-10.8	-5.0	-2.1

Chebyshev(coeffs=[[-20.941,-0.0991534,-0.0503908,-0.0126493],[24.9304,0.0514841,0.0261673,0.0063491],[-0.119712,0.0378186,0.0148035,-0.000753095],[-0.00673738,0.0137944,0.00747299,0.00245032],[0.00105311,-0.0022504,0.00215372,0.00383715],[-0.000291355,-0.00401421,-0.00059286,0.00128736]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.98
S298 (cal/mol*K) = 9.62
G298 (kcal/mol) = 79.11

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(49); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.094e+01 -9.915e-02 -5.039e-02 -1.265e-02 / CHEB/ 2.493e+01 5.148e-02 2.617e-02 6.349e-03 / CHEB/ -1.197e-01 3.782e-02 1.480e-02 -7.531e-04 / CHEB/ -6.737e-03 1.379e-02 7.473e-03 2.450e-03 / CHEB/ 1.053e-03 -2.250e-03 2.154e-03 3.837e-03 / CHEB/ -2.914e-04 -4.014e-03 -5.929e-04 1.287e-03 /

3865.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.4	-10.0	-4.6	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-10.1	-4.6	-2.0

Chebyshev(coeffs=[[-19.2364,-0.11097,-0.0549648,-0.0124873],[23.4038,0.056625,0.0278061,0.00577491],[-0.113041,0.0402999,0.0148444,-0.00176952],[-0.00681635,0.0164429,0.00874483,0.00271716],[1.19424e-06,-0.000995284,0.00327282,0.00446299],[-0.00107469,-0.00402533,-0.000310403,0.00159148]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.28
S298 (cal/mol*K) = 8.89
G298 (kcal/mol) = 74.63

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(50); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.924e+01 -1.110e-01 -5.496e-02 -1.249e-02 / CHEB/ 2.340e+01 5.662e-02 2.781e-02 5.775e-03 / CHEB/ -1.130e-01 4.030e-02 1.484e-02 -1.770e-03 / CHEB/ -6.816e-03 1.644e-02 8.745e-03 2.717e-03 / CHEB/ 1.194e-06 -9.953e-04 3.273e-03 4.463e-03 / CHEB/ -1.075e-03 -4.025e-03 -3.104e-04 1.591e-03 /

3866.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.4	-10.0	-4.6	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-10.1	-4.6	-2.0

H298 (kcal/mol) = 77.28
S298 (cal/mol*K) = 8.89
G298 (kcal/mol) = 74.63

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(51); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.924e+01 -1.110e-01 -5.496e-02 -1.249e-02 / CHEB/ 2.340e+01 5.662e-02 2.781e-02 5.775e-03 / CHEB/ -1.130e-01 4.030e-02 1.484e-02 -1.770e-03 / CHEB/ -6.816e-03 1.644e-02 8.745e-03 2.717e-03 / CHEB/ 1.194e-06 -9.953e-04 3.273e-03 4.463e-03 / CHEB/ -1.075e-03 -4.025e-03 -3.104e-04 1.591e-03 /

3867.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.1	-10.4	-4.9	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-10.4	-4.9	-2.1

Chebyshev(coeffs=[[-19.8905,-0.107387,-0.053586,-0.0125341],[23.8778,0.0553313,0.0274343,0.00596448],[-0.106393,0.0395021,0.0148272,-0.00145465],[-0.00728437,0.015498,0.00830762,0.00264225],[-0.000429251,-0.00143581,0.00290326,0.00427189],[-0.000663089,-0.00402159,-0.00040596,0.00149041]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.88
S298 (cal/mol*K) = 8.89
G298 (kcal/mol) = 76.23

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(52); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.989e+01 -1.074e-01 -5.359e-02 -1.253e-02 / CHEB/ 2.388e+01 5.533e-02 2.743e-02 5.964e-03 / CHEB/ -1.064e-01 3.950e-02 1.483e-02 -1.455e-03 / CHEB/ -7.284e-03 1.550e-02 8.308e-03 2.642e-03 / CHEB/ -4.293e-04 -1.436e-03 2.903e-03 4.272e-03 / CHEB/ -6.631e-04 -4.022e-03 -4.060e-04 1.490e-03 /

3868.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.8	-10.1	-4.6	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-26.9	-10.1	-4.6	-1.8

Chebyshev(coeffs=[[-19.5672,-0.108566,-0.0540394,-0.012517],[23.8309,0.0558218,0.0275851,0.00590433],[-0.0825402,0.0397418,0.0148262,-0.00155629],[-0.000385026,0.0157784,0.00844071,0.00266844],[0.00176848,-0.00130006,0.00301898,0.00433293],[5.55213e-05,-0.00402174,-0.000376692,0.00152115]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.38
S298 (cal/mol*K) = 7.51
G298 (kcal/mol) = 76.14

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(401); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(401)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.957e+01 -1.086e-01 -5.404e-02 -1.252e-02 / CHEB/ 2.383e+01 5.582e-02 2.759e-02 5.904e-03 / CHEB/ -8.254e-02 3.974e-02 1.483e-02 -1.556e-03 / CHEB/ -3.850e-04 1.578e-02 8.441e-03 2.668e-03 / CHEB/ 1.768e-03 -1.300e-03 3.019e-03 4.333e-03 / CHEB/ 5.552e-05 -4.022e-03 -3.767e-04 1.521e-03 /

3869.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-5.5	-2.4	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-5.6	-2.5	-0.9

Chebyshev(coeffs=[[-7.68369,-0.205374,-0.102907,-0.0278556],[12.5881,0.0851998,0.0468846,0.0163058],[0.176866,0.0485734,0.0159763,-0.00219501],[0.0307916,0.0457917,0.0184365,0.000957991],[-0.00390705,0.0181792,0.0107872,0.00346207],[-0.00844865,-0.00204729,0.00225209,0.00292703]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.39
S298 (cal/mol*K) = -20.04
G298 (kcal/mol) = -15.42

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(402); H(25), C7H11(402); C7H10(65)+H(25)(+M)=>C7H11(402)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.684e+00 -2.054e-01 -1.029e-01 -2.786e-02 / CHEB/ 1.259e+01 8.520e-02 4.688e-02 1.631e-02 / CHEB/ 1.769e-01 4.857e-02 1.598e-02 -2.195e-03 / CHEB/ 3.079e-02 4.579e-02 1.844e-02 9.580e-04 / CHEB/ -3.907e-03 1.818e-02 1.079e-02 3.462e-03 / CHEB/ -8.449e-03 -2.047e-03 2.252e-03 2.927e-03 /

3870.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.9	-15.1	-8.5	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-34.9	-15.1	-8.5	-5.1

Chebyshev(coeffs=[[-27.2599,-0.0775305,-0.0414662,-0.0124642],[28.0568,0.0425708,0.0230402,0.00709407],[0.0153017,0.0317488,0.0138869,0.0010389],[0.028411,0.00933406,0.00528619,0.001949],[0.0127808,-0.00391419,0.000283893,0.00247965],[0.00568103,-0.00391377,-0.00111065,0.000642898]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.68
S298 (cal/mol*K) = -0.13
G298 (kcal/mol) = 91.72

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(403); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(403)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.726e+01 -7.753e-02 -4.147e-02 -1.246e-02 / CHEB/ 2.806e+01 4.257e-02 2.304e-02 7.094e-03 / CHEB/ 1.530e-02 3.175e-02 1.389e-02 1.039e-03 / CHEB/ 2.841e-02 9.334e-03 5.286e-03 1.949e-03 / CHEB/ 1.278e-02 -3.914e-03 2.839e-04 2.480e-03 / CHEB/ 5.681e-03 -3.914e-03 -1.111e-03 6.429e-04 /

3873.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+4.1	+4.3	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+3.1	+3.9	+4.2	+4.2

Chebyshev(coeffs=[[9.22579,-0.391766,-0.231214,-0.0980592],[0.961207,0.232655,0.129817,0.050117],[0.106885,0.0724,0.0475519,0.0231643],[-0.000696937,0.0597838,0.0338917,0.0126482],[-0.0376994,0.00342765,0.00282451,0.0021458],[-0.0340557,-0.0165239,-0.00913433,-0.00300467]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.37
S298 (cal/mol*K) = -31.47
G298 (kcal/mol) = -32.99

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(416); H(25), C7H11(416); C7H10(18)+H(25)(+M)=>C7H11(416)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.226e+00 -3.918e-01 -2.312e-01 -9.806e-02 / CHEB/ 9.612e-01 2.327e-01 1.298e-01 5.012e-02 / CHEB/ 1.069e-01 7.240e-02 4.755e-02 2.316e-02 / CHEB/ -6.969e-04 5.978e-02 3.389e-02 1.265e-02 / CHEB/ -3.770e-02 3.428e-03 2.825e-03 2.146e-03 / CHEB/ -3.406e-02 -1.652e-02 -9.134e-03 -3.005e-03 /

3874.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.6	+5.2	+6.1	+6.7
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+4.8	+5.9	+6.6

Chebyshev(coeffs=[[9.8163,-0.939805,-0.243876,9.53663e-05],[2.09811,0.655044,0.04619,-0.05146],[0.520205,0.133566,0.0922374,-0.00249681],[0.142803,0.0489448,0.0376056,0.0157751],[0.0410285,0.0286197,0.0108896,0.00661168],[0.00496525,0.00881356,0.00769241,0.00312383]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.82
S298 (cal/mol*K) = -6.64
G298 (kcal/mol) = -32.85

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(92); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.816e+00 -9.398e-01 -2.439e-01 9.537e-05 / CHEB/ 2.098e+00 6.550e-01 4.619e-02 -5.146e-02 / CHEB/ 5.202e-01 1.336e-01 9.224e-02 -2.497e-03 / CHEB/ 1.428e-01 4.894e-02 3.761e-02 1.578e-02 / CHEB/ 4.103e-02 2.862e-02 1.089e-02 6.612e-03 / CHEB/ 4.965e-03 8.814e-03 7.692e-03 3.124e-03 /

3875.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+4.2	+4.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+2.5	+4.1	+4.9	+5.3

Chebyshev(coeffs=[[8.95125,-0.369653,-0.219384,-0.0939677],[1.87879,0.238733,0.134269,0.0524531],[0.403136,0.0629363,0.0424687,0.0216384],[0.067878,0.0514275,0.0294619,0.0111869],[-0.0233166,0.000382628,0.00101584,0.00132466],[-0.0284859,-0.0161461,-0.00920144,-0.00334539]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.54
S298 (cal/mol*K) = -4.29
G298 (kcal/mol) = -32.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(417); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(417)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.951e+00 -3.697e-01 -2.194e-01 -9.397e-02 / CHEB/ 1.879e+00 2.387e-01 1.343e-01 5.245e-02 / CHEB/ 4.031e-01 6.294e-02 4.247e-02 2.164e-02 / CHEB/ 6.788e-02 5.143e-02 2.946e-02 1.119e-02 / CHEB/ -2.332e-02 3.826e-04 1.016e-03 1.325e-03 / CHEB/ -2.849e-02 -1.615e-02 -9.201e-03 -3.345e-03 /

3876.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+4.8	+5.1	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.6	+5.1	+5.2

Chebyshev(coeffs=[[9.87395,-0.385529,-0.22786,-0.0968841],[1.17325,0.23531,0.131585,0.0509582],[0.191769,0.0701129,0.0463643,0.0228538],[0.0223116,0.0572685,0.0325702,0.0122266],[-0.0327755,0.00231981,0.00217983,0.00186546],[-0.0321719,-0.0165578,-0.00923959,-0.00314417]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.70
S298 (cal/mol*K) = 7.43
G298 (kcal/mol) = -47.91

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H6(418); H(25), C2H5(419); C7H10(18)+H(25)(+M)=>C5H6(418)+C2H5(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.874e+00 -3.855e-01 -2.279e-01 -9.688e-02 / CHEB/ 1.173e+00 2.353e-01 1.316e-01 5.096e-02 / CHEB/ 1.918e-01 7.011e-02 4.636e-02 2.285e-02 / CHEB/ 2.231e-02 5.727e-02 3.257e-02 1.223e-02 / CHEB/ -3.278e-02 2.320e-03 2.180e-03 1.865e-03 / CHEB/ -3.217e-02 -1.656e-02 -9.240e-03 -3.144e-03 /

3877.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+4.8	+5.5	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+4.6	+5.5	+5.8

Chebyshev(coeffs=[[9.31972,-0.365371,-0.217164,-0.0932578],[2.08164,0.237604,0.13387,0.0524461],[0.436029,0.060428,0.0410368,0.0211227],[0.0574409,0.0503819,0.0289076,0.0109981],[-0.0349832,0.000438666,0.0010257,0.00130485],[-0.032004,-0.0158019,-0.00904922,-0.00333074]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.34
S298 (cal/mol*K) = 9.19
G298 (kcal/mol) = -31.08

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(420); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(420)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.320e+00 -3.654e-01 -2.172e-01 -9.326e-02 / CHEB/ 2.082e+00 2.376e-01 1.339e-01 5.245e-02 / CHEB/ 4.360e-01 6.043e-02 4.104e-02 2.112e-02 / CHEB/ 5.744e-02 5.038e-02 2.891e-02 1.100e-02 / CHEB/ -3.498e-02 4.387e-04 1.026e-03 1.305e-03 / CHEB/ -3.200e-02 -1.580e-02 -9.049e-03 -3.331e-03 /

3878.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+3.9	+4.8	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+1.5	+3.8	+4.8	+5.2

Chebyshev(coeffs=[[8.18551,-0.342989,-0.205314,-0.0892952],[2.58365,0.233134,0.132622,0.0528582],[0.501983,0.0504892,0.0352833,0.0189646],[0.0420255,0.0455074,0.0263141,0.0100969],[-0.0384287,-0.000436334,0.000428214,0.000972383],[-0.0315182,-0.0148766,-0.00871108,-0.00339942]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.18
S298 (cal/mol*K) = 11.36
G298 (kcal/mol) = -15.56

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H6(421); H(25), C2H5(419); C7H10(18)+H(25)(+M)=>C2H5(419)+C5H6(421)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.186e+00 -3.430e-01 -2.053e-01 -8.930e-02 / CHEB/ 2.584e+00 2.331e-01 1.326e-01 5.286e-02 / CHEB/ 5.020e-01 5.049e-02 3.528e-02 1.896e-02 / CHEB/ 4.203e-02 4.551e-02 2.631e-02 1.010e-02 / CHEB/ -3.843e-02 -4.363e-04 4.282e-04 9.724e-04 / CHEB/ -3.152e-02 -1.488e-02 -8.711e-03 -3.399e-03 /

3879.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-0.7	+1.5	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.8	+1.4	+2.5

Chebyshev(coeffs=[[0.0998358,-0.213944,-0.134421,-0.0636995],[7.96503,0.137566,0.0840199,0.0386668],[0.451011,0.0372679,0.0248573,0.0122711],[0.0543867,0.0322009,0.0199012,0.00886949],[-0.0262235,-0.00222186,-0.00113773,-0.000153816],[-0.0230044,-0.0107578,-0.00671113,-0.00308567]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.66
S298 (cal/mol*K) = 11.54
G298 (kcal/mol) = 16.22

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(422); H(25), CH3(423); C7H10(18)+H(25)(+M)=>C6H8(422)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.984e-02 -2.139e-01 -1.344e-01 -6.370e-02 / CHEB/ 7.965e+00 1.376e-01 8.402e-02 3.867e-02 / CHEB/ 4.510e-01 3.727e-02 2.486e-02 1.227e-02 / CHEB/ 5.439e-02 3.220e-02 1.990e-02 8.869e-03 / CHEB/ -2.622e-02 -2.222e-03 -1.138e-03 -1.538e-04 / CHEB/ -2.300e-02 -1.076e-02 -6.711e-03 -3.086e-03 /

3880.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-3.6	-0.5	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-3.8	-0.6	+1.2

Chebyshev(coeffs=[[-4.66696,-0.345496,-0.170718,-0.0489897],[11.0317,0.182263,0.0639165,0.00166813],[0.640902,0.0715074,0.0450582,0.01395],[0.170502,0.0481051,0.0298126,0.0143144],[0.0257351,0.0108237,0.00631594,0.00304086],[-0.0053725,-0.00439773,-0.00113521,0.000398258]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.29
S298 (cal/mol*K) = 3.72
G298 (kcal/mol) = 28.18

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(112); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.667e+00 -3.455e-01 -1.707e-01 -4.899e-02 / CHEB/ 1.103e+01 1.823e-01 6.392e-02 1.668e-03 / CHEB/ 6.409e-01 7.151e-02 4.506e-02 1.395e-02 / CHEB/ 1.705e-01 4.811e-02 2.981e-02 1.431e-02 / CHEB/ 2.574e-02 1.082e-02 6.316e-03 3.041e-03 / CHEB/ -5.373e-03 -4.398e-03 -1.135e-03 3.983e-04 /

3881.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+1.6	+3.5	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+1.4	+3.4	+4.6

Chebyshev(coeffs=[[4.56159,-0.804833,-0.244824,-0.00858172],[4.9112,0.632989,0.0901457,-0.0500879],[0.888886,0.0752597,0.0862707,0.0146687],[0.161958,0.02251,0.0216121,0.0182882],[0.0369618,0.0255509,0.00765338,0.00319799],[0.00302219,0.00795864,0.00721488,0.00250183]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(67); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.562e+00 -8.048e-01 -2.448e-01 -8.582e-03 / CHEB/ 4.911e+00 6.330e-01 9.015e-02 -5.009e-02 / CHEB/ 8.889e-01 7.526e-02 8.627e-02 1.467e-02 / CHEB/ 1.620e-01 2.251e-02 2.161e-02 1.829e-02 / CHEB/ 3.696e-02 2.555e-02 7.653e-03 3.198e-03 / CHEB/ 3.022e-03 7.959e-03 7.215e-03 2.502e-03 /

3882.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-4.9	-1.1	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-4.9	-1.1	+0.8

Chebyshev(coeffs=[[-8.90816,-0.113541,-0.0743261,-0.0372481],[15.4996,0.0597309,0.0385714,0.0189652],[0.200351,0.0272458,0.0179443,0.00897943],[0.0505753,0.0207339,0.013449,0.0066189],[-0.0051504,-0.0016622,-0.00105849,-0.000487407],[-0.0123266,-0.00640254,-0.00412643,-0.00200855]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.99
S298 (cal/mol*K) = 16.42
G298 (kcal/mol) = 43.10

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(424); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(424)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.908e+00 -1.135e-01 -7.433e-02 -3.725e-02 / CHEB/ 1.550e+01 5.973e-02 3.857e-02 1.897e-02 / CHEB/ 2.004e-01 2.725e-02 1.794e-02 8.979e-03 / CHEB/ 5.058e-02 2.073e-02 1.345e-02 6.619e-03 / CHEB/ -5.150e-03 -1.662e-03 -1.058e-03 -4.874e-04 / CHEB/ -1.233e-02 -6.403e-03 -4.126e-03 -2.009e-03 /

3883.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-4.3	-1.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-4.4	-1.2	+0.5

Chebyshev(coeffs=[[-5.70078,-0.171025,-0.109234,-0.0529199],[11.5214,0.103079,0.0644112,0.0305176],[0.54306,0.0340106,0.0223805,0.0109234],[0.116121,0.0278611,0.017614,0.00826577],[0.00238947,-0.00221523,-0.00127345,-0.000407763],[-0.01216,-0.00910553,-0.00577075,-0.00273745]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.64
S298 (cal/mol*K) = -0.70
G298 (kcal/mol) = 30.85

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(425); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.701e+00 -1.710e-01 -1.092e-01 -5.292e-02 / CHEB/ 1.152e+01 1.031e-01 6.441e-02 3.052e-02 / CHEB/ 5.431e-01 3.401e-02 2.238e-02 1.092e-02 / CHEB/ 1.161e-01 2.786e-02 1.761e-02 8.266e-03 / CHEB/ 2.389e-03 -2.215e-03 -1.273e-03 -4.078e-04 / CHEB/ -1.216e-02 -9.106e-03 -5.771e-03 -2.737e-03 /

3884.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-2.5	+0.1	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-2.6	+0.1	+1.4

Chebyshev(coeffs=[[-2.23471,-0.209584,-0.131898,-0.0626525],[8.96999,0.133978,0.082019,0.0378788],[0.60932,0.0370183,0.0246433,0.0121324],[0.104716,0.0317879,0.0196919,0.00882654],[-0.00889824,-0.00223682,-0.00116166,-0.000184335],[-0.0168514,-0.0106026,-0.00662539,-0.00305743]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.73
S298 (cal/mol*K) = 4.51
G298 (kcal/mol) = 20.38

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(426); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(426)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.235e+00 -2.096e-01 -1.319e-01 -6.265e-02 / CHEB/ 8.970e+00 1.340e-01 8.202e-02 3.788e-02 / CHEB/ 6.093e-01 3.702e-02 2.464e-02 1.213e-02 / CHEB/ 1.047e-01 3.179e-02 1.969e-02 8.827e-03 / CHEB/ -8.898e-03 -2.237e-03 -1.162e-03 -1.843e-04 / CHEB/ -1.685e-02 -1.060e-02 -6.625e-03 -3.057e-03 /

3885.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.7	-6.4	-2.6	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-16.8	-6.4	-2.6	-0.7

Chebyshev(coeffs=[[-9.5631,-0.134901,-0.0874527,-0.0432071],[14.3368,0.0754948,0.0481212,0.0232832],[0.445477,0.0300404,0.0197331,0.00975391],[0.111393,0.0235699,0.0151581,0.00735058],[0.00956403,-0.00194646,-0.00120191,-0.000505985],[-0.00829794,-0.00747433,-0.00478939,-0.00231193]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.04
S298 (cal/mol*K) = -0.02
G298 (kcal/mol) = 42.04

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(427); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(427)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.563e+00 -1.349e-01 -8.745e-02 -4.321e-02 / CHEB/ 1.434e+01 7.549e-02 4.812e-02 2.328e-02 / CHEB/ 4.455e-01 3.004e-02 1.973e-02 9.754e-03 / CHEB/ 1.114e-01 2.357e-02 1.516e-02 7.351e-03 / CHEB/ 9.564e-03 -1.946e-03 -1.202e-03 -5.060e-04 / CHEB/ -8.298e-03 -7.474e-03 -4.789e-03 -2.312e-03 /

3886.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+3.0	+3.4	+3.5
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+2.9	+3.3	+3.5

Chebyshev(coeffs=[[8.01481,-0.38362,-0.226877,-0.0965729],[1.2936,0.235111,0.131567,0.0510002],[0.215048,0.0688774,0.0456766,0.0226231],[0.0279384,0.0566057,0.0322206,0.0121129],[-0.0291126,0.00229775,0.00215796,0.00184534],[-0.0316456,-0.0163751,-0.00916093,-0.00313992]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -82.56
S298 (cal/mol*K) = -39.13
G298 (kcal/mol) = -70.90

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(428); H(25), C7H11(428); C7H10(18)+H(25)(+M)=>C7H11(428)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.015e+00 -3.836e-01 -2.269e-01 -9.657e-02 / CHEB/ 1.294e+00 2.351e-01 1.316e-01 5.100e-02 / CHEB/ 2.150e-01 6.888e-02 4.568e-02 2.262e-02 / CHEB/ 2.794e-02 5.661e-02 3.222e-02 1.211e-02 / CHEB/ -2.911e-02 2.298e-03 2.158e-03 1.845e-03 / CHEB/ -3.165e-02 -1.638e-02 -9.161e-03 -3.140e-03 /

3887.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-5.9	-2.5	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-5.9	-2.5	-0.8

Chebyshev(coeffs=[[-8.26495,-0.143584,-0.0927354,-0.0455837],[13.0505,0.0820129,0.0520186,0.025033],[0.347725,0.0310838,0.0204112,0.0100456],[0.0773719,0.0246611,0.0157995,0.00760894],[-0.00387745,-0.0020333,-0.00123663,-0.000495466],[-0.0134208,-0.00788732,-0.00504175,-0.00242504]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.31
S298 (cal/mol*K) = 6.95
G298 (kcal/mol) = 36.24

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(429); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(429)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.265e+00 -1.436e-01 -9.274e-02 -4.558e-02 / CHEB/ 1.305e+01 8.201e-02 5.202e-02 2.503e-02 / CHEB/ 3.477e-01 3.108e-02 2.041e-02 1.005e-02 / CHEB/ 7.737e-02 2.466e-02 1.580e-02 7.609e-03 / CHEB/ -3.877e-03 -2.033e-03 -1.237e-03 -4.955e-04 / CHEB/ -1.342e-02 -7.887e-03 -5.042e-03 -2.425e-03 /

3888.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+2.2	+2.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+0.4	+2.0	+2.8	+3.1

Chebyshev(coeffs=[[6.87803,-0.369934,-0.219558,-0.0940455],[1.85799,0.238194,0.133957,0.0523245],[0.390024,0.0628748,0.0424203,0.0216096],[0.0607848,0.0516015,0.0295566,0.01122],[-0.0265232,0.000533745,0.00110252,0.00136039],[-0.0295821,-0.0160881,-0.00916462,-0.00332595]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -101.68
S298 (cal/mol*K) = -31.86
G298 (kcal/mol) = -92.18

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(430); H(25), C7H11(430); C7H10(18)+H(25)(+M)=>C7H11(430)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.878e+00 -3.699e-01 -2.196e-01 -9.405e-02 / CHEB/ 1.858e+00 2.382e-01 1.340e-01 5.232e-02 / CHEB/ 3.900e-01 6.287e-02 4.242e-02 2.161e-02 / CHEB/ 6.078e-02 5.160e-02 2.956e-02 1.122e-02 / CHEB/ -2.652e-02 5.337e-04 1.103e-03 1.360e-03 / CHEB/ -2.958e-02 -1.609e-02 -9.165e-03 -3.326e-03 /

3889.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-7.4	-2.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-7.4	-2.9	-0.6

Chebyshev(coeffs=[[-13.1619,-0.091165,-0.0603466,-0.0307829],[18.2565,0.0435851,0.0285841,0.0143767],[0.199959,0.0239317,0.0158361,0.00803215],[0.0599998,0.0175906,0.0115055,0.00574167],[0.00374237,-0.0012167,-0.000792719,-0.00038663],[-0.00760202,-0.00519668,-0.00337215,-0.00165868]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.60
S298 (cal/mol*K) = 12.64
G298 (kcal/mol) = 44.83

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H4(432); H(25), C3H7(431); C7H10(18)+H(25)(+M)=>C3H7(431)+C4H4(432)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.316e+01 -9.116e-02 -6.035e-02 -3.078e-02 / CHEB/ 1.826e+01 4.359e-02 2.858e-02 1.438e-02 / CHEB/ 2.000e-01 2.393e-02 1.584e-02 8.032e-03 / CHEB/ 6.000e-02 1.759e-02 1.151e-02 5.742e-03 / CHEB/ 3.742e-03 -1.217e-03 -7.927e-04 -3.866e-04 / CHEB/ -7.602e-03 -5.197e-03 -3.372e-03 -1.659e-03 /

3902.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.1	+1.2	+2.7	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+1.0	+3.1	+3.9

Chebyshev(coeffs=[[1.95267,-0.761647,-0.494549,0.00793725],[6.91875,1.81752,-0.0308209,-0.109233],[0.205304,0.370153,0.151398,-0.0231549],[-0.046086,0.110541,0.080992,0.00973757],[-0.0532488,0.0272921,0.0313021,0.0126746],[-0.0621418,-0.0106821,0.00919961,0.00811794]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.31
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = -10.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(571); H(25), C7H11(571); C7H10(1)+H(25)(+M)=>C7H11(571)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.953e+00 -7.616e-01 -4.945e-01 7.937e-03 / CHEB/ 6.919e+00 1.818e+00 -3.082e-02 -1.092e-01 / CHEB/ 2.053e-01 3.702e-01 1.514e-01 -2.315e-02 / CHEB/ -4.609e-02 1.105e-01 8.099e-02 9.738e-03 / CHEB/ -5.325e-02 2.729e-02 3.130e-02 1.267e-02 / CHEB/ -6.214e-02 -1.068e-02 9.200e-03 8.118e-03 /

3903.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+2.6	+5.5	+6.7
log₁₀(k(10 bar)/[mole,m,s])	-7.0	+1.9	+5.1	+6.6

Chebyshev(coeffs=[[0.83475,-1.71626,-0.585855,-0.0578036],[11.24,1.12154,0.217729,-0.0591001],[0.573638,0.231619,0.138313,0.0142616],[0.0297384,0.116287,0.0601214,0.0181801],[-0.0730199,0.0307661,0.022533,0.0113274],[-0.0657284,-0.0152576,0.0029023,0.00685784]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.03
S298 (cal/mol*K) = 52.83
G298 (kcal/mol) = 6.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(572); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C5H8(572)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.347e-01 -1.716e+00 -5.859e-01 -5.780e-02 / CHEB/ 1.124e+01 1.122e+00 2.177e-01 -5.910e-02 / CHEB/ 5.736e-01 2.316e-01 1.383e-01 1.426e-02 / CHEB/ 2.974e-02 1.163e-01 6.012e-02 1.818e-02 / CHEB/ -7.302e-02 3.077e-02 2.253e-02 1.133e-02 / CHEB/ -6.573e-02 -1.526e-02 2.902e-03 6.858e-03 /

3904.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.4	-5.9	+0.1	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-25.7	-6.1	+0.0	+2.8

Chebyshev(coeffs=[[-18.1633,-0.431748,-0.261402,-0.111266],[27.4398,0.171889,0.101464,0.0405253],[-0.180195,0.122688,0.0702971,0.0261843],[-0.119565,0.0848934,0.0483656,0.0177603],[-0.0851365,0.00786772,0.00757985,0.00581755],[-0.054364,-0.0175881,-0.00788073,-0.000782067]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.93
S298 (cal/mol*K) = 64.42
G298 (kcal/mol) = 67.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(573); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C5H8(573)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.816e+01 -4.317e-01 -2.614e-01 -1.113e-01 / CHEB/ 2.744e+01 1.719e-01 1.015e-01 4.053e-02 / CHEB/ -1.802e-01 1.227e-01 7.030e-02 2.618e-02 / CHEB/ -1.196e-01 8.489e-02 4.837e-02 1.776e-02 / CHEB/ -8.514e-02 7.868e-03 7.580e-03 5.818e-03 / CHEB/ -5.436e-02 -1.759e-02 -7.881e-03 -7.821e-04 /

3905.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.7	-11.2	-4.3	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-33.0	-11.3	-4.4	-1.1

Chebyshev(coeffs=[[-25.2152,-0.349876,-0.216636,-0.0967239],[30.3812,0.134832,0.0820885,0.0352055],[-0.0741878,0.104525,0.0613534,0.024242],[-0.092313,0.0711781,0.0418656,0.0166348],[-0.0741908,0.00496223,0.00532369,0.00446238],[-0.0486125,-0.0155086,-0.00748613,-0.00137338]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.60
S298 (cal/mol*K) = 50.55
G298 (kcal/mol) = 80.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(109); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.522e+01 -3.499e-01 -2.166e-01 -9.672e-02 / CHEB/ 3.038e+01 1.348e-01 8.209e-02 3.521e-02 / CHEB/ -7.419e-02 1.045e-01 6.135e-02 2.424e-02 / CHEB/ -9.231e-02 7.118e-02 4.187e-02 1.663e-02 / CHEB/ -7.419e-02 4.962e-03 5.324e-03 4.462e-03 / CHEB/ -4.861e-02 -1.551e-02 -7.486e-03 -1.373e-03 /

3906.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.2	-6.6	-0.6	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-25.5	-6.8	-0.7	+2.2

Chebyshev(coeffs=[[-17.8921,-0.47855,-0.282687,-0.113933],[26.1908,0.19411,0.110115,0.0398474],[0.0238459,0.135308,0.0755883,0.0263091],[-0.0521983,0.0899366,0.0498969,0.0171285],[-0.0586495,0.0081269,0.0083204,0.00658115],[-0.0474992,-0.0183677,-0.00752321,6.01251e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.74
S298 (cal/mol*K) = 54.08
G298 (kcal/mol) = 56.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(574); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C4H6(574)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.789e+01 -4.785e-01 -2.827e-01 -1.139e-01 / CHEB/ 2.619e+01 1.941e-01 1.101e-01 3.985e-02 / CHEB/ 2.385e-02 1.353e-01 7.559e-02 2.631e-02 / CHEB/ -5.220e-02 8.994e-02 4.990e-02 1.713e-02 / CHEB/ -5.865e-02 8.127e-03 8.320e-03 6.581e-03 / CHEB/ -4.750e-02 -1.837e-02 -7.523e-03 6.013e-05 /

3907.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.1	-13.5	-6.2	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-36.3	-13.7	-6.3	-2.8

Chebyshev(coeffs=[[-28.4052,-0.314944,-0.197274,-0.0902073],[31.7717,0.127861,0.0789301,0.0349042],[0.00871882,0.095298,0.0569425,0.0234693],[-0.0744383,0.0637368,0.0382187,0.0158868],[-0.0687761,0.00268783,0.00370071,0.00356544],[-0.045797,-0.0151136,-0.00769661,-0.00187035]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.45
S298 (cal/mol*K) = 42.46
G298 (kcal/mol) = 86.80

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(575); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(575)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.841e+01 -3.149e-01 -1.973e-01 -9.021e-02 / CHEB/ 3.177e+01 1.279e-01 7.893e-02 3.490e-02 / CHEB/ 8.719e-03 9.530e-02 5.694e-02 2.347e-02 / CHEB/ -7.444e-02 6.374e-02 3.822e-02 1.589e-02 / CHEB/ -6.878e-02 2.688e-03 3.701e-03 3.565e-03 / CHEB/ -4.580e-02 -1.511e-02 -7.697e-03 -1.870e-03 /

3970.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-3.2	-0.7	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.7	-0.9	+0.4

Chebyshev(coeffs=[[-2.70831,-1.59777,-0.00424312,0.0392792],[8.30107,1.08394,-0.246929,-0.0966974],[0.848646,0.379205,0.0438394,-0.0198846],[-0.00490605,0.0280591,0.057155,0.00850203],[-0.0388047,-0.0585061,0.0290669,0.008793],[-0.00434357,-0.05,0.00514606,0.00568578]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.22
S298 (cal/mol*K) = -3.41
G298 (kcal/mol) = 14.24

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(576); H(25), C7H10(576); C7H9(5)+H(25)(+M)=>C7H10(576)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.708e+00 -1.598e+00 -4.243e-03 3.928e-02 / CHEB/ 8.301e+00 1.084e+00 -2.469e-01 -9.670e-02 / CHEB/ 8.486e-01 3.792e-01 4.384e-02 -1.988e-02 / CHEB/ -4.906e-03 2.806e-02 5.715e-02 8.502e-03 / CHEB/ -3.880e-02 -5.851e-02 2.907e-02 8.793e-03 / CHEB/ -4.344e-03 -5.000e-02 5.146e-03 5.686e-03 /

3971.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	-2.2	+0.9	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-2.8	+0.7	+2.3

Chebyshev(coeffs=[[-2.04118,-1.58803,-0.00667868,0.0376202],[8.99876,1.10929,-0.251785,-0.100166],[1.31694,0.377421,0.0512835,-0.0208714],[0.14443,0.0118077,0.0659798,0.010822],[-0.0415919,-0.0735165,0.0287155,0.0106498],[-0.0388803,-0.0542653,-0.00102352,0.00624215]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.56
S298 (cal/mol*K) = 0.98
G298 (kcal/mol) = 12.27

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(577); H(25), C7H10(577); C7H9(5)+H(25)(+M)=>C7H10(577)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.041e+00 -1.588e+00 -6.679e-03 3.762e-02 / CHEB/ 8.999e+00 1.109e+00 -2.518e-01 -1.002e-01 / CHEB/ 1.317e+00 3.774e-01 5.128e-02 -2.087e-02 / CHEB/ 1.444e-01 1.181e-02 6.598e-02 1.082e-02 / CHEB/ -4.159e-02 -7.352e-02 2.872e-02 1.065e-02 / CHEB/ -3.888e-02 -5.427e-02 -1.024e-03 6.242e-03 /

3972.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-6.0	+0.3	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-24.6	-6.1	+0.3	+3.3

Chebyshev(coeffs=[[-16.4898,-0.551454,-0.270126,-0.0697867],[25.3483,0.423574,0.172971,0.0147296],[0.524533,0.095354,0.0579895,0.0220051],[0.0120102,-0.0365008,-0.00572463,0.00890216],[-0.059043,-0.00717605,-0.00425349,-9.04461e-05],[-0.0490199,0.00243603,-0.000715388,-0.00154233]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.77
S298 (cal/mol*K) = 41.00
G298 (kcal/mol) = 65.55

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H6(490); H(25), C3H4(73); C7H9(5)+H(25)(+M)=>C3H4(73)+C4H6(490)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.649e+01 -5.515e-01 -2.701e-01 -6.979e-02 / CHEB/ 2.535e+01 4.236e-01 1.730e-01 1.473e-02 / CHEB/ 5.245e-01 9.535e-02 5.799e-02 2.201e-02 / CHEB/ 1.201e-02 -3.650e-02 -5.725e-03 8.902e-03 / CHEB/ -5.904e-02 -7.176e-03 -4.253e-03 -9.045e-05 / CHEB/ -4.902e-02 2.436e-03 -7.154e-04 -1.542e-03 /

3973.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-2.6	+0.4	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-3.0	+0.2	+1.7

Chebyshev(coeffs=[[-3.19168,-1.49146,-0.0444151,0.0199606],[10.0566,1.06457,-0.203066,-0.0805267],[0.847758,0.350319,0.0632357,-0.0128781],[0.0391299,-0.00971773,0.0595251,0.00618203],[-0.0217909,-0.072131,0.0258083,0.0114156],[-0.0112784,-0.040306,-0.000976101,0.00768241]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.14
S298 (cal/mol*K) = -5.38
G298 (kcal/mol) = 6.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(578); H(25), C7H10(578); C7H9(5)+H(25)(+M)=>C7H10(578)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.192e+00 -1.491e+00 -4.442e-02 1.996e-02 / CHEB/ 1.006e+01 1.065e+00 -2.031e-01 -8.053e-02 / CHEB/ 8.478e-01 3.503e-01 6.324e-02 -1.288e-02 / CHEB/ 3.913e-02 -9.718e-03 5.953e-02 6.182e-03 / CHEB/ -2.179e-02 -7.213e-02 2.581e-02 1.142e-02 / CHEB/ -1.128e-02 -4.031e-02 -9.761e-04 7.682e-03 /

3974.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+0.1	+2.1	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-0.5	+1.8	+2.9

Chebyshev(coeffs=[[2.06054,-1.75501,0.0142642,0.0306248],[5.99348,1.13707,-0.23688,-0.0562107],[0.910512,0.403305,-0.0194831,-0.061917],[-0.0437306,0.0650379,0.0661108,0.0142507],[-0.0578963,-0.0306793,0.0297232,0.0141336],[-0.00244477,-0.0520757,0.0071508,0.00213988]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.05
S298 (cal/mol*K) = -15.40
G298 (kcal/mol) = -22.46

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(579); H(25), C7H10(579); C7H9(5)+H(25)(+M)=>C7H10(579)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.061e+00 -1.755e+00 1.426e-02 3.062e-02 / CHEB/ 5.993e+00 1.137e+00 -2.369e-01 -5.621e-02 / CHEB/ 9.105e-01 4.033e-01 -1.948e-02 -6.192e-02 / CHEB/ -4.373e-02 6.504e-02 6.611e-02 1.425e-02 / CHEB/ -5.790e-02 -3.068e-02 2.972e-02 1.413e-02 / CHEB/ -2.445e-03 -5.208e-02 7.151e-03 2.140e-03 /

3975.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.3	-11.1	-3.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-33.6	-11.2	-4.0	-0.6

Chebyshev(coeffs=[[-25.5665,-0.372388,-0.213234,-0.0803908],[31.1497,0.266826,0.139211,0.0395482],[0.0651356,0.0723077,0.0436877,0.0183199],[-0.11139,-0.0268415,-0.00932254,0.00203381],[-0.0883017,-0.00171083,-0.00160977,-0.000898352],[-0.0516904,0.00271902,0.000702447,-0.000476313]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.05
S298 (cal/mol*K) = 37.66
G298 (kcal/mol) = 79.83

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H6(62); H(25), C2H4(495); C7H9(5)+H(25)(+M)=>C5H6(62)+C2H4(495)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.557e+01 -3.724e-01 -2.132e-01 -8.039e-02 / CHEB/ 3.115e+01 2.668e-01 1.392e-01 3.955e-02 / CHEB/ 6.514e-02 7.231e-02 4.369e-02 1.832e-02 / CHEB/ -1.114e-01 -2.684e-02 -9.323e-03 2.034e-03 / CHEB/ -8.830e-02 -1.711e-03 -1.610e-03 -8.984e-04 / CHEB/ -5.169e-02 2.719e-03 7.024e-04 -4.763e-04 /

3976.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.2	-11.5	-4.0	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-11.6	-4.0	-0.4

Chebyshev(coeffs=[[-26.2408,-0.367705,-0.210763,-0.0796538],[31.7488,0.269383,0.14102,0.0405401],[0.243335,0.0702299,0.0429493,0.01847],[-0.0662476,-0.0277665,-0.0099447,0.0017438],[-0.0755784,-0.00182007,-0.00179608,-0.00108667],[-0.0474173,0.00275878,0.000703472,-0.000508101]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.64
S298 (cal/mol*K) = 34.40
G298 (kcal/mol) = 81.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(485); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>CH2(T)(82)+C6H8(485)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.624e+01 -3.677e-01 -2.108e-01 -7.965e-02 / CHEB/ 3.175e+01 2.694e-01 1.410e-01 4.054e-02 / CHEB/ 2.433e-01 7.023e-02 4.295e-02 1.847e-02 / CHEB/ -6.625e-02 -2.777e-02 -9.945e-03 1.744e-03 / CHEB/ -7.558e-02 -1.820e-03 -1.796e-03 -1.087e-03 / CHEB/ -4.742e-02 2.759e-03 7.035e-04 -5.081e-04 /

3977.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-1.2	+1.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-1.7	+1.5	+3.0

Chebyshev(coeffs=[[-1.8428,-1.49929,-0.0450908,0.0201794],[10.018,1.05271,-0.203517,-0.07968],[0.792584,0.354343,0.0588837,-0.0143427],[0.0288068,-0.0034639,0.0581405,0.0053598],[-0.0252491,-0.0691352,0.0264704,0.0110027],[-0.00999768,-0.041056,0.000119704,0.00763065]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.04
S298 (cal/mol*K) = -1.28
G298 (kcal/mol) = 18.43

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(580); H(25), C7H10(580); C7H9(5)+H(25)(+M)=>C7H10(580)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.843e+00 -1.499e+00 -4.509e-02 2.018e-02 / CHEB/ 1.002e+01 1.053e+00 -2.035e-01 -7.968e-02 / CHEB/ 7.926e-01 3.543e-01 5.888e-02 -1.434e-02 / CHEB/ 2.881e-02 -3.464e-03 5.814e-02 5.360e-03 / CHEB/ -2.525e-02 -6.914e-02 2.647e-02 1.100e-02 / CHEB/ -9.998e-03 -4.106e-02 1.197e-04 7.631e-03 /

3978.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+2.3	+3.5	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+1.5	+3.2	+3.8

Chebyshev(coeffs=[[5.84011,-1.90561,-0.0143802,-0.00503929],[3.49314,1.08875,-0.142608,0.0246825],[0.660419,0.462585,-0.0979955,-0.0928174],[-0.0624592,0.0994013,0.0347974,-0.0139455],[-0.0786833,0.00261461,0.0439323,0.027309],[-0.0116145,-0.0323904,0.00656917,0.00972626]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.26
S298 (cal/mol*K) = -24.86
G298 (kcal/mol) = -35.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(581); H(25), C7H10(581); C7H9(5)+H(25)(+M)=>C7H10(581)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.840e+00 -1.906e+00 -1.438e-02 -5.039e-03 / CHEB/ 3.493e+00 1.089e+00 -1.426e-01 2.468e-02 / CHEB/ 6.604e-01 4.626e-01 -9.800e-02 -9.282e-02 / CHEB/ -6.246e-02 9.940e-02 3.480e-02 -1.395e-02 / CHEB/ -7.868e-02 2.615e-03 4.393e-02 2.731e-02 / CHEB/ -1.161e-02 -3.239e-02 6.569e-03 9.726e-03 /

3979.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-3.6	+0.0	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-14.8	-3.9	-0.1	+1.7

Chebyshev(coeffs=[[-6.67077,-1.25217,-0.156914,-0.00515304],[13.7868,0.95837,-0.0686234,-0.0574642],[0.60799,0.251283,0.08493,-0.0103557],[0.0571453,-0.057987,0.0496759,0.0126629],[-0.0229288,-0.060016,0.00928471,0.0151032],[-0.0338075,-0.0120096,-0.00923069,0.00490141]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.85
S298 (cal/mol*K) = -2.22
G298 (kcal/mol) = 2.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(582); H(25), C7H10(582); C7H9(5)+H(25)(+M)=>C7H10(582)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.671e+00 -1.252e+00 -1.569e-01 -5.153e-03 / CHEB/ 1.379e+01 9.584e-01 -6.862e-02 -5.746e-02 / CHEB/ 6.080e-01 2.513e-01 8.493e-02 -1.036e-02 / CHEB/ 5.715e-02 -5.799e-02 4.968e-02 1.266e-02 / CHEB/ -2.293e-02 -6.002e-02 9.285e-03 1.510e-02 / CHEB/ -3.381e-02 -1.201e-02 -9.231e-03 4.901e-03 /

3980.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+1.2	+2.9	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+0.5	+2.6	+3.5

Chebyshev(coeffs=[[3.93776,-1.82389,0.000296825,0.0126183],[4.80148,1.13332,-0.192897,-0.0155974],[0.862169,0.429286,-0.0630919,-0.0836233],[-0.0556706,0.0768632,0.0619198,0.00683186],[-0.0760561,-0.0165235,0.0369729,0.0215038],[-0.00290177,-0.0460092,0.00483549,0.00332606]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.11
S298 (cal/mol*K) = -3.62
G298 (kcal/mol) = -48.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(583); H(25), C7H10(583); C7H9(5)+H(25)(+M)=>C7H10(583)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.938e+00 -1.824e+00 2.968e-04 1.262e-02 / CHEB/ 4.801e+00 1.133e+00 -1.929e-01 -1.560e-02 / CHEB/ 8.622e-01 4.293e-01 -6.309e-02 -8.362e-02 / CHEB/ -5.567e-02 7.686e-02 6.192e-02 6.832e-03 / CHEB/ -7.606e-02 -1.652e-02 3.697e-02 2.150e-02 / CHEB/ -2.902e-03 -4.601e-02 4.835e-03 3.326e-03 /

3981.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-3.1	-0.5	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.6	-0.8	+0.6

Chebyshev(coeffs=[[-2.63172,-1.61476,-0.00503695,0.0408572],[8.37366,1.072,-0.246683,-0.0960959],[0.866181,0.394099,0.0440999,-0.0222441],[-0.00962016,0.0458984,0.055818,0.00646693],[-0.0404112,-0.0528274,0.0275294,0.00851015],[0.000835188,-0.0553852,0.00471156,0.00644881]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.22
S298 (cal/mol*K) = -3.11
G298 (kcal/mol) = 14.15

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(584); H(25), C7H10(584); C7H9(5)+H(25)(+M)=>C7H10(584)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.632e+00 -1.615e+00 -5.037e-03 4.086e-02 / CHEB/ 8.374e+00 1.072e+00 -2.467e-01 -9.610e-02 / CHEB/ 8.662e-01 3.941e-01 4.410e-02 -2.224e-02 / CHEB/ -9.620e-03 4.590e-02 5.582e-02 6.467e-03 / CHEB/ -4.041e-02 -5.283e-02 2.753e-02 8.510e-03 / CHEB/ 8.352e-04 -5.539e-02 4.712e-03 6.449e-03 /

3986.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.3	+3.4	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+2.7	+3.1	+3.3

Chebyshev(coeffs=[[8.53162,-1.09697,-0.267792,0.0255868],[0.699744,0.700771,0.0336007,-0.0789167],[0.0334114,0.152095,0.0871196,-0.00597195],[0.0162886,0.0660617,0.0369017,0.0094272],[0.0222986,0.0501322,0.0183765,0.00460576],[0.00122895,0.0164318,0.0125837,0.00454918]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.51
S298 (cal/mol*K) = -31.00
G298 (kcal/mol) = -58.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(433); H(25), C7H11(433); C7H10(18)+H(25)(+M)=>C7H11(433)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.532e+00 -1.097e+00 -2.678e-01 2.559e-02 / CHEB/ 6.997e-01 7.008e-01 3.360e-02 -7.892e-02 / CHEB/ 3.341e-02 1.521e-01 8.712e-02 -5.972e-03 / CHEB/ 1.629e-02 6.606e-02 3.690e-02 9.427e-03 / CHEB/ 2.230e-02 5.013e-02 1.838e-02 4.606e-03 / CHEB/ 1.229e-03 1.643e-02 1.258e-02 4.549e-03 /

3987.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.4	+6.2	+6.7
log₁₀(k(10 bar)/[mole,m,s])	+3.1	+5.0	+6.0	+6.7

Chebyshev(coeffs=[[10.0055,-1.10042,-0.30635,0.000762029],[2.05622,0.792054,0.0899802,-0.0656448],[0.448987,0.142723,0.103721,0.00886128],[0.113048,0.0517938,0.038345,0.0163442],[0.0352516,0.0381081,0.0147083,0.00625081],[-0.000451314,0.00680283,0.00725723,0.0034264]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.82
S298 (cal/mol*K) = -6.64
G298 (kcal/mol) = -32.85

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(80); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.001e+01 -1.100e+00 -3.064e-01 7.620e-04 / CHEB/ 2.056e+00 7.921e-01 8.998e-02 -6.564e-02 / CHEB/ 4.490e-01 1.427e-01 1.037e-01 8.861e-03 / CHEB/ 1.130e-01 5.179e-02 3.835e-02 1.634e-02 / CHEB/ 3.525e-02 3.811e-02 1.471e-02 6.251e-03 / CHEB/ -4.513e-04 6.803e-03 7.257e-03 3.426e-03 /

3988.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+5.0	+4.6	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+4.6	+5.4	+5.3	+5.0

Chebyshev(coeffs=[[10.0487,0.674549,-0.391286,-0.0259149],[0.447771,0.779717,0.0954443,-0.0413298],[-0.184314,0.185688,0.0978162,-0.00158677],[-0.201465,0.112142,0.0549434,0.0124434],[-0.0783436,0.063611,0.0220757,0.00412184],[-0.0136854,0.010845,0.00742228,0.00112061]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.10
S298 (cal/mol*K) = -29.66
G298 (kcal/mol) = -63.26

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(434); H(25), C7H11(434); C7H10(18)+H(25)(+M)=>C7H11(434)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.005e+01 6.745e-01 -3.913e-01 -2.591e-02 / CHEB/ 4.478e-01 7.797e-01 9.544e-02 -4.133e-02 / CHEB/ -1.843e-01 1.857e-01 9.782e-02 -1.587e-03 / CHEB/ -2.015e-01 1.121e-01 5.494e-02 1.244e-02 / CHEB/ -7.834e-02 6.361e-02 2.208e-02 4.122e-03 / CHEB/ -1.369e-02 1.084e-02 7.422e-03 1.121e-03 /

3989.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.0	+6.3	+6.4	+6.5
log₁₀(k(10 bar)/[mole,m,s])	+5.4	+5.9	+6.3	+6.4

Chebyshev(coeffs=[[11.8346,-0.726183,-0.254833,-0.029549],[0.411258,0.348279,0.0724874,-0.00993028],[0.131066,0.206524,0.0714448,-0.00740077],[0.0440999,0.0861233,0.0407539,0.0050889],[-0.00650619,0.00336567,0.00947433,0.00855946],[-0.0133263,-0.0123674,-0.000606663,0.00388039]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -81.30
S298 (cal/mol*K) = -30.76
G298 (kcal/mol) = -72.13

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(435); H(25), C7H11(435); C7H10(18)+H(25)(+M)=>C7H11(435)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.183e+01 -7.262e-01 -2.548e-01 -2.955e-02 / CHEB/ 4.113e-01 3.483e-01 7.249e-02 -9.930e-03 / CHEB/ 1.311e-01 2.065e-01 7.144e-02 -7.401e-03 / CHEB/ 4.410e-02 8.612e-02 4.075e-02 5.089e-03 / CHEB/ -6.506e-03 3.366e-03 9.474e-03 8.559e-03 / CHEB/ -1.333e-02 -1.237e-02 -6.067e-04 3.880e-03 /

3990.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.2	+6.4	+6.4
log₁₀(k(10 bar)/[mole,m,s])	+4.8	+5.7	+6.1	+6.4

Chebyshev(coeffs=[[11.389,-1.11315,-0.279465,0.02053],[0.829047,0.713218,0.0396921,-0.0781214],[0.0859012,0.160251,0.0930963,-0.00319698],[0.0339945,0.0708705,0.0406572,0.0113013],[0.0258037,0.0503705,0.0193205,0.00557403],[0.000408078,0.0140477,0.0116004,0.00459053]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -81.30
S298 (cal/mol*K) = -30.76
G298 (kcal/mol) = -72.13

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(436); H(25), C7H11(436); C7H10(18)+H(25)(+M)=>C7H11(436)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.139e+01 -1.113e+00 -2.795e-01 2.053e-02 / CHEB/ 8.290e-01 7.132e-01 3.969e-02 -7.812e-02 / CHEB/ 8.590e-02 1.603e-01 9.310e-02 -3.197e-03 / CHEB/ 3.399e-02 7.087e-02 4.066e-02 1.130e-02 / CHEB/ 2.580e-02 5.037e-02 1.932e-02 5.574e-03 / CHEB/ 4.081e-04 1.405e-02 1.160e-02 4.591e-03 /

3991.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.2	+6.5	+6.6	+6.7
log₁₀(k(10 bar)/[mole,m,s])	+5.4	+6.0	+6.4	+6.7

Chebyshev(coeffs=[[11.9233,-1.09455,-0.263353,0.0272104],[0.595533,0.707656,0.0376427,-0.0762549],[0.0271621,0.164387,0.0908541,-0.0056222],[0.0339618,0.0712379,0.0388848,0.00968174],[0.0369808,0.0486089,0.0179443,0.00473182],[0.00897106,0.0123889,0.010924,0.00429154]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.10
S298 (cal/mol*K) = -29.66
G298 (kcal/mol) = -63.26

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(437); H(25), C7H11(437); C7H10(18)+H(25)(+M)=>C7H11(437)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.192e+01 -1.095e+00 -2.634e-01 2.721e-02 / CHEB/ 5.955e-01 7.077e-01 3.764e-02 -7.625e-02 / CHEB/ 2.716e-02 1.644e-01 9.085e-02 -5.622e-03 / CHEB/ 3.396e-02 7.124e-02 3.888e-02 9.682e-03 / CHEB/ 3.698e-02 4.861e-02 1.794e-02 4.732e-03 / CHEB/ 8.971e-03 1.239e-02 1.092e-02 4.292e-03 /

3992.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.8	+6.7	+6.3	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+6.9	+7.1	+6.9	+6.5

Chebyshev(coeffs=[[12.2951,0.763497,-0.325998,0.00139157],[-0.322234,0.686234,0.0541961,-0.0472524],[-0.185961,0.153848,0.0662119,-0.0187646],[-0.129379,0.09614,0.0387009,0.00381052],[-0.112259,0.0715925,0.0236298,0.00382678],[-0.0740353,0.0251409,0.0145604,0.00321629]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -101.01
S298 (cal/mol*K) = -33.32
G298 (kcal/mol) = -91.08

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(438); H(25), C7H11(438); C7H10(18)+H(25)(+M)=>C7H11(438)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.230e+01 7.635e-01 -3.260e-01 1.392e-03 / CHEB/ -3.222e-01 6.862e-01 5.420e-02 -4.725e-02 / CHEB/ -1.860e-01 1.538e-01 6.621e-02 -1.876e-02 / CHEB/ -1.294e-01 9.614e-02 3.870e-02 3.811e-03 / CHEB/ -1.123e-01 7.159e-02 2.363e-02 3.827e-03 / CHEB/ -7.404e-02 2.514e-02 1.456e-02 3.216e-03 /

3993.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.2	+7.0	+7.3	+7.5
log₁₀(k(10 bar)/[mole,m,s])	+5.4	+6.5	+7.1	+7.5

Chebyshev(coeffs=[[12.0821,-1.03968,-0.263413,0.020175],[1.08783,0.731839,0.0527967,-0.0787243],[0.223206,0.132395,0.0934206,0.00200703],[0.0533286,0.0458691,0.0340466,0.0141194],[0.021082,0.0399906,0.0151172,0.00567154],[-0.00269059,0.0121695,0.0102891,0.00439568]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.55
S298 (cal/mol*K) = 4.99
G298 (kcal/mol) = -35.04

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(81); H(25), CH3(423); C7H10(18)+H(25)(+M)=>C6H8(81)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.208e+01 -1.040e+00 -2.634e-01 2.018e-02 / CHEB/ 1.088e+00 7.318e-01 5.280e-02 -7.872e-02 / CHEB/ 2.232e-01 1.324e-01 9.342e-02 2.007e-03 / CHEB/ 5.333e-02 4.587e-02 3.405e-02 1.412e-02 / CHEB/ 2.108e-02 3.999e-02 1.512e-02 5.672e-03 / CHEB/ -2.691e-03 1.217e-02 1.029e-02 4.396e-03 /

3994.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+3.0	+4.5	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+2.8	+4.3	+5.2

Chebyshev(coeffs=[[6.3946,-0.8566,-0.262538,8.56719e-05],[4.05685,0.70518,0.111962,-0.0654378],[0.651435,0.0559993,0.0848079,0.0236825],[0.0944501,0.017826,0.0169264,0.0155633],[0.018781,0.0314026,0.0105336,0.00329718],[-0.00512348,0.00775243,0.00783828,0.00348993]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.78
S298 (cal/mol*K) = 12.04
G298 (kcal/mol) = -4.36

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H6(62); H(25), C2H5(419); C7H10(18)+H(25)(+M)=>C5H6(62)+C2H5(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.395e+00 -8.566e-01 -2.625e-01 8.567e-05 / CHEB/ 4.057e+00 7.052e-01 1.120e-01 -6.544e-02 / CHEB/ 6.514e-01 5.600e-02 8.481e-02 2.368e-02 / CHEB/ 9.445e-02 1.783e-02 1.693e-02 1.556e-02 / CHEB/ 1.878e-02 3.140e-02 1.053e-02 3.297e-03 / CHEB/ -5.123e-03 7.752e-03 7.838e-03 3.490e-03 /

3995.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+2.9	+4.2	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-0.0	+2.6	+4.1	+5.0

Chebyshev(coeffs=[[7.12461,-0.687305,-0.239084,-0.030577],[2.88104,0.412884,0.077282,-0.0145015],[0.786537,0.174403,0.082448,0.00110615],[0.163072,0.0531839,0.0380038,0.0130047],[0.0129671,-0.00221812,0.00365358,0.00834552],[-0.00789807,-0.0079299,-0.00168882,0.00192328]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.50
S298 (cal/mol*K) = -7.23
G298 (kcal/mol) = -13.35

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(63); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.125e+00 -6.873e-01 -2.391e-01 -3.058e-02 / CHEB/ 2.881e+00 4.129e-01 7.728e-02 -1.450e-02 / CHEB/ 7.865e-01 1.744e-01 8.245e-02 1.106e-03 / CHEB/ 1.631e-01 5.318e-02 3.800e-02 1.300e-02 / CHEB/ 1.297e-02 -2.218e-03 3.654e-03 8.346e-03 / CHEB/ -7.898e-03 -7.930e-03 -1.689e-03 1.923e-03 /

3996.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-0.8	+1.4	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-1.1	+1.3	+2.6

Chebyshev(coeffs=[[1.14935,-0.773482,-0.264213,-0.0108967],[6.38941,0.64696,0.135349,-0.0526495],[0.87232,0.0418326,0.0717763,0.0275148],[0.171527,0.0158984,0.013289,0.013052],[0.040378,0.0298702,0.0109979,0.00283394],[0.00217601,0.00665402,0.00716627,0.00353684]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.90
S298 (cal/mol*K) = -1.61
G298 (kcal/mol) = 8.38

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(65); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.149e+00 -7.735e-01 -2.642e-01 -1.090e-02 / CHEB/ 6.389e+00 6.470e-01 1.353e-01 -5.265e-02 / CHEB/ 8.723e-01 4.183e-02 7.178e-02 2.751e-02 / CHEB/ 1.715e-01 1.590e-02 1.329e-02 1.305e-02 / CHEB/ 4.038e-02 2.987e-02 1.100e-02 2.834e-03 / CHEB/ 2.176e-03 6.654e-03 7.166e-03 3.537e-03 /

3997.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+1.8	+4.5	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-4.9	+1.6	+4.4	+6.1

Chebyshev(coeffs=[[2.48287,-0.649138,-0.257294,-0.0283028],[8.4902,0.550008,0.157933,-0.0286194],[0.841014,0.0279643,0.0522337,0.0283518],[0.204505,0.0145661,0.0101125,0.00935872],[0.0559332,0.0268141,0.0115205,0.00273446],[0.00575705,0.00493225,0.00584458,0.00354037]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.65
S298 (cal/mol*K) = 14.57
G298 (kcal/mol) = 13.31

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H7(439); H(25), C3H4(73); C7H10(18)+H(25)(+M)=>C3H4(73)+C4H7(439)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.483e+00 -6.491e-01 -2.573e-01 -2.830e-02 / CHEB/ 8.490e+00 5.500e-01 1.579e-01 -2.862e-02 / CHEB/ 8.410e-01 2.796e-02 5.223e-02 2.835e-02 / CHEB/ 2.045e-01 1.457e-02 1.011e-02 9.359e-03 / CHEB/ 5.593e-02 2.681e-02 1.152e-02 2.734e-03 / CHEB/ 5.757e-03 4.932e-03 5.845e-03 3.540e-03 /

3998.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+1.3	+3.1	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+1.0	+3.0	+4.2

Chebyshev(coeffs=[[4.2425,-0.866506,-0.261416,0.00153535],[4.85349,0.714405,0.109166,-0.0667706],[0.872381,0.058264,0.0866774,0.0231451],[0.172246,0.0171686,0.0173249,0.0160311],[0.0552398,0.0308694,0.0101823,0.0034016],[0.00693015,0.00759827,0.00774846,0.00343677]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(69); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.243e+00 -8.665e-01 -2.614e-01 1.535e-03 / CHEB/ 4.853e+00 7.144e-01 1.092e-01 -6.677e-02 / CHEB/ 8.724e-01 5.826e-02 8.668e-02 2.315e-02 / CHEB/ 1.722e-01 1.717e-02 1.732e-02 1.603e-02 / CHEB/ 5.524e-02 3.087e-02 1.018e-02 3.402e-03 / CHEB/ 6.930e-03 7.598e-03 7.748e-03 3.437e-03 /

3999.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-0.9	+1.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-1.2	+1.2	+2.6

Chebyshev(coeffs=[[1.06809,-0.807353,-0.282806,-0.0194051],[6.38287,0.674184,0.148759,-0.0463915],[0.881383,0.0454959,0.0752366,0.0289208],[0.17289,0.0210673,0.0162972,0.0143424],[0.0453879,0.030318,0.0113036,0.00311924],[0.00274526,0.004694,0.00596706,0.00297056]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.24
S298 (cal/mol*K) = -6.32
G298 (kcal/mol) = 9.12

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(71); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.068e+00 -8.074e-01 -2.828e-01 -1.941e-02 / CHEB/ 6.383e+00 6.742e-01 1.488e-01 -4.639e-02 / CHEB/ 8.814e-01 4.550e-02 7.524e-02 2.892e-02 / CHEB/ 1.729e-01 2.107e-02 1.630e-02 1.434e-02 / CHEB/ 4.539e-02 3.032e-02 1.130e-02 3.119e-03 / CHEB/ 2.745e-03 4.694e-03 5.967e-03 2.971e-03 /

4000.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+4.3	+4.7	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+3.8	+4.4	+4.8

Chebyshev(coeffs=[[9.39815,-0.997426,-0.25246,0.0122285],[1.09224,0.624838,0.0306771,-0.0617447],[0.23585,0.180261,0.0950319,-0.00820737],[0.066856,0.0561714,0.0378576,0.0125511],[0.0284986,0.0347761,0.0138482,0.00626543],[0.0038574,0.0124584,0.0101957,0.00400643]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -62.27
S298 (cal/mol*K) = -28.79
G298 (kcal/mol) = -53.69

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(440); H(25), C7H11(440); C7H10(18)+H(25)(+M)=>C7H11(440)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.398e+00 -9.974e-01 -2.525e-01 1.223e-02 / CHEB/ 1.092e+00 6.248e-01 3.068e-02 -6.174e-02 / CHEB/ 2.358e-01 1.803e-01 9.503e-02 -8.207e-03 / CHEB/ 6.686e-02 5.617e-02 3.786e-02 1.255e-02 / CHEB/ 2.850e-02 3.478e-02 1.385e-02 6.265e-03 / CHEB/ 3.857e-03 1.246e-02 1.020e-02 4.006e-03 /

4001.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+4.8	+4.8	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+4.3	+4.5	+4.6

Chebyshev(coeffs=[[10.2348,-1.11231,-0.269066,0.027052],[0.422547,0.690085,0.0285451,-0.078635],[-0.0595458,0.15581,0.0848728,-0.00793798],[-0.00530071,0.0717033,0.0371175,0.00794153],[0.0211385,0.0536282,0.0191039,0.00404034],[0.0017764,0.0180681,0.0132569,0.00444828]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -107.78
S298 (cal/mol*K) = -43.29
G298 (kcal/mol) = -94.88

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(441); H(25), C7H11(441); C7H10(18)+H(25)(+M)=>C7H11(441)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.023e+01 -1.112e+00 -2.691e-01 2.705e-02 / CHEB/ 4.225e-01 6.901e-01 2.855e-02 -7.864e-02 / CHEB/ -5.955e-02 1.558e-01 8.487e-02 -7.938e-03 / CHEB/ -5.301e-03 7.170e-02 3.712e-02 7.942e-03 / CHEB/ 2.114e-02 5.363e-02 1.910e-02 4.040e-03 / CHEB/ 1.776e-03 1.807e-02 1.326e-02 4.448e-03 /

4002.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+0.9	+2.8	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+0.6	+2.7	+3.9

Chebyshev(coeffs=[[3.31993,-0.671332,-0.237517,-0.0247577],[5.60151,0.48754,0.0945154,-0.031357],[0.826296,0.106506,0.0863287,0.0186751],[0.151541,0.0317477,0.0227507,0.0148533],[0.0123492,0.00727654,0.00279109,0.00394352],[-0.00896724,-0.00179137,0.00184896,0.00149713]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.20
S298 (cal/mol*K) = 4.56
G298 (kcal/mol) = 4.84

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(442); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(442)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.320e+00 -6.713e-01 -2.375e-01 -2.476e-02 / CHEB/ 5.602e+00 4.875e-01 9.452e-02 -3.136e-02 / CHEB/ 8.263e-01 1.065e-01 8.633e-02 1.868e-02 / CHEB/ 1.515e-01 3.175e-02 2.275e-02 1.485e-02 / CHEB/ 1.235e-02 7.277e-03 2.791e-03 3.944e-03 / CHEB/ -8.967e-03 -1.791e-03 1.849e-03 1.497e-03 /

4003.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-3.8	+0.0	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-14.1	-3.9	-0.0	+2.1

Chebyshev(coeffs=[[-6.82733,-0.360285,-0.190661,-0.0579803],[14.1383,0.292106,0.136541,0.0244008],[0.532456,0.00935897,0.0165478,0.0149894],[0.167147,0.018943,0.00996445,0.00357365],[0.0379422,0.0210094,0.01201,0.00444333],[-0.00104507,0.00242706,0.00327878,0.00292597]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.53
S298 (cal/mol*K) = 7.97
G298 (kcal/mol) = 29.15

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(443); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>CH2(T)(82)+C6H9(443)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.827e+00 -3.603e-01 -1.907e-01 -5.798e-02 / CHEB/ 1.414e+01 2.921e-01 1.365e-01 2.440e-02 / CHEB/ 5.325e-01 9.359e-03 1.655e-02 1.499e-02 / CHEB/ 1.671e-01 1.894e-02 9.964e-03 3.574e-03 / CHEB/ 3.794e-02 2.101e-02 1.201e-02 4.443e-03 / CHEB/ -1.045e-03 2.427e-03 3.279e-03 2.926e-03 /

4004.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-0.9	+1.8	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.1	+1.7	+3.4

Chebyshev(coeffs=[[0.344322,-0.707844,-0.258096,-0.0183426],[7.6856,0.61651,0.151849,-0.0414733],[1.03305,0.0270858,0.0626662,0.030407],[0.22592,0.0106098,0.0091734,0.0113334],[0.056297,0.0263564,0.010055,0.00228004],[0.00697811,0.0046479,0.00590755,0.00326669]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.70
S298 (cal/mol*K) = -1.87
G298 (kcal/mol) = 12.26

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(90); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.443e-01 -7.078e-01 -2.581e-01 -1.834e-02 / CHEB/ 7.686e+00 6.165e-01 1.518e-01 -4.147e-02 / CHEB/ 1.033e+00 2.709e-02 6.267e-02 3.041e-02 / CHEB/ 2.259e-01 1.061e-02 9.173e-03 1.133e-02 / CHEB/ 5.630e-02 2.636e-02 1.005e-02 2.280e-03 / CHEB/ 6.978e-03 4.648e-03 5.908e-03 3.267e-03 /

4005.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+3.6	+4.5	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+3.2	+4.3	+5.0

Chebyshev(coeffs=[[8.18726,-1.01749,-0.262222,0.0179843],[2.13588,0.738917,0.0600907,-0.078184],[0.474222,0.122299,0.0946567,0.0052104],[0.114229,0.0389709,0.0321,0.0153924],[0.0364753,0.0374612,0.013849,0.00563252],[0.00206598,0.0112501,0.00963842,0.00418797]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.90
S298 (cal/mol*K) = -24.86
G298 (kcal/mol) = -57.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(444); H(25), C7H11(444); C7H10(18)+H(25)(+M)=>C7H11(444)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.187e+00 -1.017e+00 -2.622e-01 1.798e-02 / CHEB/ 2.136e+00 7.389e-01 6.009e-02 -7.818e-02 / CHEB/ 4.742e-01 1.223e-01 9.466e-02 5.210e-03 / CHEB/ 1.142e-01 3.897e-02 3.210e-02 1.539e-02 / CHEB/ 3.648e-02 3.746e-02 1.385e-02 5.633e-03 / CHEB/ 2.066e-03 1.125e-02 9.638e-03 4.188e-03 /

4006.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+3.6	+4.5	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+3.2	+4.3	+5.0

H298 (kcal/mol) = -64.90
S298 (cal/mol*K) = -24.86
G298 (kcal/mol) = -57.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(445); H(25), C7H11(445); C7H10(18)+H(25)(+M)=>C7H11(445)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.187e+00 -1.017e+00 -2.622e-01 1.798e-02 / CHEB/ 2.136e+00 7.389e-01 6.009e-02 -7.818e-02 / CHEB/ 4.742e-01 1.223e-01 9.466e-02 5.210e-03 / CHEB/ 1.142e-01 3.897e-02 3.210e-02 1.539e-02 / CHEB/ 3.648e-02 3.746e-02 1.385e-02 5.633e-03 / CHEB/ 2.066e-03 1.125e-02 9.638e-03 4.188e-03 /

4007.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+3.9	+4.7	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+3.5	+4.5	+5.2

Chebyshev(coeffs=[[8.53019,-1.02416,-0.262547,0.0186489],[2.02636,0.737095,0.0579058,-0.0783749],[0.445556,0.125428,0.0943569,0.00424852],[0.109928,0.0409503,0.0327212,0.0150464],[0.0364045,0.0381397,0.0142176,0.00566619],[0.00220037,0.0114964,0.00981661,0.00425312]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.90
S298 (cal/mol*K) = -24.86
G298 (kcal/mol) = -57.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(446); H(25), C7H11(446); C7H10(18)+H(25)(+M)=>C7H11(446)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.530e+00 -1.024e+00 -2.625e-01 1.865e-02 / CHEB/ 2.026e+00 7.371e-01 5.791e-02 -7.837e-02 / CHEB/ 4.456e-01 1.254e-01 9.436e-02 4.249e-03 / CHEB/ 1.099e-01 4.095e-02 3.272e-02 1.505e-02 / CHEB/ 3.640e-02 3.814e-02 1.422e-02 5.666e-03 / CHEB/ 2.200e-03 1.150e-02 9.817e-03 4.253e-03 /

4008.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+3.5	+4.4	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+3.1	+4.2	+4.9

Chebyshev(coeffs=[[8.07561,-1.02033,-0.262357,0.0182683],[2.14636,0.738172,0.0591598,-0.0782684],[0.474779,0.123641,0.0945364,0.00480059],[0.116177,0.0398041,0.0323682,0.0152488],[0.0376877,0.0377423,0.0140045,0.005649],[0.00255703,0.0113524,0.00971257,0.00421588]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -62.70
S298 (cal/mol*K) = -25.28
G298 (kcal/mol) = -55.17

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(447); H(25), C7H11(447); C7H10(18)+H(25)(+M)=>C7H11(447)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.076e+00 -1.020e+00 -2.624e-01 1.827e-02 / CHEB/ 2.146e+00 7.382e-01 5.916e-02 -7.827e-02 / CHEB/ 4.748e-01 1.236e-01 9.454e-02 4.801e-03 / CHEB/ 1.162e-01 3.980e-02 3.237e-02 1.525e-02 / CHEB/ 3.769e-02 3.774e-02 1.400e-02 5.649e-03 / CHEB/ 2.557e-03 1.135e-02 9.713e-03 4.216e-03 /

4009.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+3.1	+3.7	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+2.7	+3.4	+3.9

Chebyshev(coeffs=[[8.09191,-1.0571,-0.263794,0.0221235],[1.39816,0.727071,0.0476921,-0.078826],[0.283479,0.141746,0.092646,-0.000487886],[0.0873207,0.0520882,0.0356987,0.0130819],[0.0388407,0.04191,0.0161649,0.00574351],[0.00467323,0.0125038,0.0107534,0.00461415]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -88.77
S298 (cal/mol*K) = -30.88
G298 (kcal/mol) = -79.57

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(448); H(25), C7H11(448); C7H10(18)+H(25)(+M)=>C7H11(448)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.092e+00 -1.057e+00 -2.638e-01 2.212e-02 / CHEB/ 1.398e+00 7.271e-01 4.769e-02 -7.883e-02 / CHEB/ 2.835e-01 1.417e-01 9.265e-02 -4.879e-04 / CHEB/ 8.732e-02 5.209e-02 3.570e-02 1.308e-02 / CHEB/ 3.884e-02 4.191e-02 1.616e-02 5.744e-03 / CHEB/ 4.673e-03 1.250e-02 1.075e-02 4.614e-03 /

4010.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.5	+4.9	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+4.1	+4.6	+5.0

Chebyshev(coeffs=[[9.62428,-1.06783,-0.265351,0.0228738],[1.09978,0.718789,0.0434339,-0.0790298],[0.183235,0.14347,0.0908758,-0.00200514],[0.0538911,0.055601,0.035906,0.0120361],[0.0280094,0.0443547,0.0167966,0.0053766],[0.00117897,0.0138628,0.0113346,0.00457304]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.74
S298 (cal/mol*K) = -31.02
G298 (kcal/mol) = -52.50

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(449); H(25), C7H11(449); C7H10(18)+H(25)(+M)=>C7H11(449)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.624e+00 -1.068e+00 -2.654e-01 2.287e-02 / CHEB/ 1.100e+00 7.188e-01 4.343e-02 -7.903e-02 / CHEB/ 1.832e-01 1.435e-01 9.088e-02 -2.005e-03 / CHEB/ 5.389e-02 5.560e-02 3.591e-02 1.204e-02 / CHEB/ 2.801e-02 4.435e-02 1.680e-02 5.377e-03 / CHEB/ 1.179e-03 1.386e-02 1.133e-02 4.573e-03 /

4011.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	+0.2	+3.5	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-7.9	+0.1	+3.4	+5.3

Chebyshev(coeffs=[[-0.485178,-0.533861,-0.239095,-0.0431911],[10.6976,0.454036,0.162791,-0.00498161],[0.814429,0.0170568,0.0355843,0.0253446],[0.211993,0.0152535,0.00885871,0.00618825],[0.0485635,0.0244336,0.011882,0.00309913],[0.00295998,0.00353123,0.00464731,0.00344535]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.65
S298 (cal/mol*K) = 14.57
G298 (kcal/mol) = 13.31

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(450); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(450)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.852e-01 -5.339e-01 -2.391e-01 -4.319e-02 / CHEB/ 1.070e+01 4.540e-01 1.628e-01 -4.982e-03 / CHEB/ 8.144e-01 1.706e-02 3.558e-02 2.534e-02 / CHEB/ 2.120e-01 1.525e-02 8.859e-03 6.188e-03 / CHEB/ 4.856e-02 2.443e-02 1.188e-02 3.099e-03 / CHEB/ 2.960e-03 3.531e-03 4.647e-03 3.445e-03 /

4012.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.3	+3.4	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+2.7	+3.1	+3.3

H298 (kcal/mol) = -66.85
S298 (cal/mol*K) = -34.40
G298 (kcal/mol) = -56.60

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(451); H(25), C7H11(451); C7H10(18)+H(25)(+M)=>C7H11(451)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.532e+00 -1.097e+00 -2.678e-01 2.559e-02 / CHEB/ 6.997e-01 7.008e-01 3.360e-02 -7.892e-02 / CHEB/ 3.341e-02 1.521e-01 8.712e-02 -5.972e-03 / CHEB/ 1.629e-02 6.606e-02 3.690e-02 9.427e-03 / CHEB/ 2.230e-02 5.013e-02 1.838e-02 4.606e-03 / CHEB/ 1.229e-03 1.643e-02 1.258e-02 4.549e-03 /

4013.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.3	+7.0	+7.4	+7.6
log₁₀(k(10 bar)/[mole,m,s])	+5.7	+6.6	+7.2	+7.6

Chebyshev(coeffs=[[12.3107,-0.759627,-0.248496,-0.0253782],[0.88811,0.396581,0.0632671,-0.0149314],[0.28582,0.20975,0.0791507,-0.00781956],[0.085994,0.0773417,0.0425774,0.00801653],[0.00713844,0.00276619,0.00807011,0.00885398],[-0.00857156,-0.0100253,-0.00056069,0.00330939]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.70
S298 (cal/mol*K) = -9.68
G298 (kcal/mol) = -47.82

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(79); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.231e+01 -7.596e-01 -2.485e-01 -2.538e-02 / CHEB/ 8.881e-01 3.966e-01 6.327e-02 -1.493e-02 / CHEB/ 2.858e-01 2.098e-01 7.915e-02 -7.820e-03 / CHEB/ 8.599e-02 7.734e-02 4.258e-02 8.017e-03 / CHEB/ 7.138e-03 2.766e-03 8.070e-03 8.854e-03 / CHEB/ -8.572e-03 -1.003e-02 -5.607e-04 3.309e-03 /

4014.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.4	+7.8	+8.0	+8.1
log₁₀(k(10 bar)/[mole,m,s])	+6.5	+7.3	+7.7	+8.0

Chebyshev(coeffs=[[13.0978,-1.093,-0.266859,0.0254316],[0.763256,0.705489,0.0355161,-0.0788256],[0.067092,0.153056,0.0882449,-0.00545642],[0.0314488,0.0652697,0.0372207,0.00992388],[0.0283181,0.0490436,0.0182876,0.00490023],[0.00355854,0.0155916,0.0123588,0.00467137]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.04
S298 (cal/mol*K) = -0.69
G298 (kcal/mol) = -59.84

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(94); H(25), CH3(423); C7H10(18)+H(25)(+M)=>C6H8(94)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.310e+01 -1.093e+00 -2.669e-01 2.543e-02 / CHEB/ 7.633e-01 7.055e-01 3.552e-02 -7.883e-02 / CHEB/ 6.709e-02 1.531e-01 8.824e-02 -5.456e-03 / CHEB/ 3.145e-02 6.527e-02 3.722e-02 9.924e-03 / CHEB/ 2.832e-02 4.904e-02 1.829e-02 4.900e-03 / CHEB/ 3.559e-03 1.559e-02 1.236e-02 4.671e-03 /

4015.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.4	+7.0	+7.1	+7.0
log₁₀(k(10 bar)/[mole,m,s])	+5.2	+6.3	+6.8	+7.0

Chebyshev(coeffs=[[11.9429,-1.53691,-0.485403,-0.0315904],[0.914788,0.925719,0.14009,-0.0582839],[0.0911478,0.271134,0.142688,0.00711138],[0.0119069,0.120341,0.0620639,0.0156782],[-0.01114,0.0427027,0.0178757,0.00795277],[-0.0226806,-0.0011613,0.00532744,0.0041991]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.05
S298 (cal/mol*K) = -28.22
G298 (kcal/mol) = -70.64

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(452); H(25), C7H11(452); C7H10(18)+H(25)(+M)=>C7H11(452)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.194e+01 -1.537e+00 -4.854e-01 -3.159e-02 / CHEB/ 9.148e-01 9.257e-01 1.401e-01 -5.828e-02 / CHEB/ 9.115e-02 2.711e-01 1.427e-01 7.111e-03 / CHEB/ 1.191e-02 1.203e-01 6.206e-02 1.568e-02 / CHEB/ -1.114e-02 4.270e-02 1.788e-02 7.953e-03 / CHEB/ -2.268e-02 -1.161e-03 5.327e-03 4.199e-03 /

4016.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-3.4	+0.5	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-13.8	-3.5	+0.4	+2.5

Chebyshev(coeffs=[[-6.52008,-0.353575,-0.18821,-0.0581677],[14.3186,0.286074,0.134924,0.0251869],[0.528787,0.0090423,0.0159387,0.0145398],[0.166936,0.0189767,0.00998512,0.00353074],[0.038007,0.0208179,0.0119658,0.00448437],[-0.000984809,0.00238593,0.00322098,0.00288623]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.36
S298 (cal/mol*K) = 11.01
G298 (kcal/mol) = 29.08

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H5(99); H(25), C3H6(453); C7H10(18)+H(25)(+M)=>C4H5(99)+C3H6(453)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.520e+00 -3.536e-01 -1.882e-01 -5.817e-02 / CHEB/ 1.432e+01 2.861e-01 1.349e-01 2.519e-02 / CHEB/ 5.288e-01 9.042e-03 1.594e-02 1.454e-02 / CHEB/ 1.669e-01 1.898e-02 9.985e-03 3.531e-03 / CHEB/ 3.801e-02 2.082e-02 1.197e-02 4.484e-03 / CHEB/ -9.848e-04 2.386e-03 3.221e-03 2.886e-03 /

4017.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+4.5	+5.2	+5.5
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+3.9	+4.9	+5.3

Chebyshev(coeffs=[[8.47953,-1.17337,-0.385938,-0.0377939],[2.55381,0.615913,0.101333,-0.0356089],[0.332082,0.156417,0.0627002,-0.00393519],[0.0225297,0.12251,0.0462452,0.005784],[-0.0318324,0.061703,0.0283246,0.00625157],[-0.0427502,0.00289354,0.0104844,0.00506322]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.71
S298 (cal/mol*K) = -3.07
G298 (kcal/mol) = -7.79

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(454); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(454)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.480e+00 -1.173e+00 -3.859e-01 -3.779e-02 / CHEB/ 2.554e+00 6.159e-01 1.013e-01 -3.561e-02 / CHEB/ 3.321e-01 1.564e-01 6.270e-02 -3.935e-03 / CHEB/ 2.253e-02 1.225e-01 4.625e-02 5.784e-03 / CHEB/ -3.183e-02 6.170e-02 2.832e-02 6.252e-03 / CHEB/ -4.275e-02 2.894e-03 1.048e-02 5.063e-03 /

4018.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+3.9	+4.6	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+3.3	+4.3	+4.6

Chebyshev(coeffs=[[7.81665,-1.16928,-0.388372,-0.0388818],[2.60544,0.599935,0.0986782,-0.0355411],[0.275401,0.14829,0.0601964,-0.00393452],[-0.010662,0.122906,0.0450628,0.00507659],[-0.043123,0.0635417,0.0281065,0.00568153],[-0.0462885,0.00388027,0.010567,0.00485794]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.61
S298 (cal/mol*K) = -24.98
G298 (kcal/mol) = -46.16

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(455); H(25), C7H11(455); C7H10(65)+H(25)(+M)=>C7H11(455)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.817e+00 -1.169e+00 -3.884e-01 -3.888e-02 / CHEB/ 2.605e+00 5.999e-01 9.868e-02 -3.554e-02 / CHEB/ 2.754e-01 1.483e-01 6.020e-02 -3.935e-03 / CHEB/ -1.066e-02 1.229e-01 4.506e-02 5.077e-03 / CHEB/ -4.312e-02 6.354e-02 2.811e-02 5.682e-03 / CHEB/ -4.629e-02 3.880e-03 1.057e-02 4.858e-03 /

4019.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+3.7	+4.6	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+3.1	+4.3	+4.7

Chebyshev(coeffs=[[7.24298,-1.1254,-0.384958,-0.0420743],[3.19415,0.599801,0.107436,-0.0337647],[0.36854,0.13577,0.0620324,-0.00048336],[0.00116904,0.117431,0.0450468,0.00633424],[-0.0400052,0.0618995,0.0278143,0.00585018],[-0.0439552,0.00379682,0.00988212,0.00480113]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -38.56
S298 (cal/mol*K) = -16.85
G298 (kcal/mol) = -33.53

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(456); H(25), C7H11(456); C7H10(65)+H(25)(+M)=>C7H11(456)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.243e+00 -1.125e+00 -3.850e-01 -4.207e-02 / CHEB/ 3.194e+00 5.998e-01 1.074e-01 -3.376e-02 / CHEB/ 3.685e-01 1.358e-01 6.203e-02 -4.834e-04 / CHEB/ 1.169e-03 1.174e-01 4.505e-02 6.334e-03 / CHEB/ -4.001e-02 6.190e-02 2.781e-02 5.850e-03 / CHEB/ -4.396e-02 3.797e-03 9.882e-03 4.801e-03 /

4020.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+2.6	+3.9	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+2.1	+3.6	+4.2

Chebyshev(coeffs=[[5.09049,-0.983403,-0.380421,-0.0555804],[4.825,0.513277,0.126716,-0.0215219],[0.370406,0.116599,0.056768,0.00539416],[-0.000940493,0.11086,0.0442745,0.00671056],[-0.0423241,0.0606609,0.0275074,0.005559],[-0.0419296,0.00435482,0.00859472,0.00457427]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.01
S298 (cal/mol*K) = -19.48
G298 (kcal/mol) = -22.20

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(457); H(25), C7H11(457); C7H10(65)+H(25)(+M)=>C7H11(457)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.090e+00 -9.834e-01 -3.804e-01 -5.558e-02 / CHEB/ 4.825e+00 5.133e-01 1.267e-01 -2.152e-02 / CHEB/ 3.704e-01 1.166e-01 5.677e-02 5.394e-03 / CHEB/ -9.405e-04 1.109e-01 4.427e-02 6.711e-03 / CHEB/ -4.232e-02 6.066e-02 2.751e-02 5.559e-03 / CHEB/ -4.193e-02 4.355e-03 8.595e-03 4.574e-03 /

4021.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+4.1	+4.3	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+3.4	+3.9	+4.0

Chebyshev(coeffs=[[8.67854,-1.25852,-0.396002,-0.0327448],[1.43484,0.573913,0.0801468,-0.0367069],[0.0189606,0.175254,0.0527624,-0.0111125],[-0.0435769,0.141436,0.0434394,0.00109261],[-0.0443592,0.069776,0.0286674,0.00466703],[-0.0485098,0.00438158,0.0123677,0.00484964]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -38.56
S298 (cal/mol*K) = -16.39
G298 (kcal/mol) = -33.67

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(458); H(25), C7H11(458); C7H10(65)+H(25)(+M)=>C7H11(458)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.679e+00 -1.259e+00 -3.960e-01 -3.274e-02 / CHEB/ 1.435e+00 5.739e-01 8.015e-02 -3.671e-02 / CHEB/ 1.896e-02 1.753e-01 5.276e-02 -1.111e-02 / CHEB/ -4.358e-02 1.414e-01 4.344e-02 1.093e-03 / CHEB/ -4.436e-02 6.978e-02 2.867e-02 4.667e-03 / CHEB/ -4.851e-02 4.382e-03 1.237e-02 4.850e-03 /

4022.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+5.9	+6.2	+6.2
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+5.2	+5.8	+6.0

Chebyshev(coeffs=[[10.3591,-1.24062,-0.392734,-0.0334646],[1.62537,0.591106,0.0862608,-0.0365852],[0.0972317,0.176592,0.0564651,-0.0096729],[-0.0135101,0.137918,0.0450264,0.00242757],[-0.0357583,0.0669615,0.0289567,0.00538753],[-0.0458329,0.00323686,0.0119969,0.00510366]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.01
S298 (cal/mol*K) = -19.48
G298 (kcal/mol) = -22.20

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(459); H(25), C7H11(459); C7H10(65)+H(25)(+M)=>C7H11(459)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.036e+01 -1.241e+00 -3.927e-01 -3.346e-02 / CHEB/ 1.625e+00 5.911e-01 8.626e-02 -3.659e-02 / CHEB/ 9.723e-02 1.766e-01 5.647e-02 -9.673e-03 / CHEB/ -1.351e-02 1.379e-01 4.503e-02 2.428e-03 / CHEB/ -3.576e-02 6.696e-02 2.896e-02 5.388e-03 / CHEB/ -4.583e-02 3.237e-03 1.200e-02 5.104e-03 /

4023.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.5	+6.1	+6.0	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+4.6	+5.3	+5.6	+5.6

Chebyshev(coeffs=[[10.9875,-1.29879,-0.398438,-0.0297423],[0.851791,0.556485,0.0733791,-0.0359996],[-0.14146,0.190016,0.0492855,-0.0139322],[-0.0566713,0.155008,0.042456,-0.000993112],[-0.0371653,0.0750326,0.0290514,0.0040044],[-0.0454755,0.00476449,0.0134798,0.00483828]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.26
S298 (cal/mol*K) = -25.10
G298 (kcal/mol) = -44.78

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(460); H(25), C7H11(460); C7H10(65)+H(25)(+M)=>C7H11(460)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.099e+01 -1.299e+00 -3.984e-01 -2.974e-02 / CHEB/ 8.518e-01 5.565e-01 7.338e-02 -3.600e-02 / CHEB/ -1.415e-01 1.900e-01 4.929e-02 -1.393e-02 / CHEB/ -5.667e-02 1.550e-01 4.246e-02 -9.931e-04 / CHEB/ -3.717e-02 7.503e-02 2.905e-02 4.004e-03 / CHEB/ -4.548e-02 4.764e-03 1.348e-02 4.838e-03 /

4024.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-2.0	+0.7	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-2.3	+0.5	+1.8

Chebyshev(coeffs=[[-3.57655,-0.509057,-0.275069,-0.0917608],[11.3074,0.164067,0.0891871,0.0292063],[0.137857,0.0919926,0.0401756,0.00657442],[0.00263502,0.103313,0.0463176,0.00751457],[-0.022876,0.0516929,0.0267472,0.00692666],[-0.0251907,0.00125078,0.00460655,0.0040755]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.66
S298 (cal/mol*K) = 2.76
G298 (kcal/mol) = 33.84

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(461); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(461)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.577e+00 -5.091e-01 -2.751e-01 -9.176e-02 / CHEB/ 1.131e+01 1.641e-01 8.919e-02 2.921e-02 / CHEB/ 1.379e-01 9.199e-02 4.018e-02 6.574e-03 / CHEB/ 2.635e-03 1.033e-01 4.632e-02 7.515e-03 / CHEB/ -2.288e-02 5.169e-02 2.675e-02 6.927e-03 / CHEB/ -2.519e-02 1.251e-03 4.607e-03 4.076e-03 /

4025.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.5	-5.9	-1.6	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-19.7	-6.1	-1.7	+0.5

Chebyshev(coeffs=[[-12.5712,-0.264077,-0.146538,-0.0521613],[19.1839,0.046331,0.0212522,0.00338044],[-0.0912119,0.0678962,0.028492,0.00253941],[-0.0380905,0.0675337,0.0368016,0.0122157],[-0.0210064,0.0296284,0.0209136,0.0104901],[-0.0139347,-0.000674179,0.00243722,0.00305257]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.54
S298 (cal/mol*K) = 14.28
G298 (kcal/mol) = 58.29

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(462); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(462)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.257e+01 -2.641e-01 -1.465e-01 -5.216e-02 / CHEB/ 1.918e+01 4.633e-02 2.125e-02 3.380e-03 / CHEB/ -9.121e-02 6.790e-02 2.849e-02 2.539e-03 / CHEB/ -3.809e-02 6.753e-02 3.680e-02 1.222e-02 / CHEB/ -2.101e-02 2.963e-02 2.091e-02 1.049e-02 / CHEB/ -1.393e-02 -6.742e-04 2.437e-03 3.053e-03 /

4026.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-5.9	-1.6	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-19.6	-6.1	-1.7	+0.4

Chebyshev(coeffs=[[-12.521,-0.262673,-0.145724,-0.05182],[19.1257,0.0456856,0.0208036,0.00311833],[-0.126287,0.0679128,0.0285391,0.00257728],[-0.0451672,0.0671925,0.0366629,0.0122153],[-0.0236512,0.029433,0.0208278,0.0104899],[-0.0150333,-0.000677822,0.00242622,0.00304476]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.54
S298 (cal/mol*K) = 14.74
G298 (kcal/mol) = 58.15

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(463); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(463)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.252e+01 -2.627e-01 -1.457e-01 -5.182e-02 / CHEB/ 1.913e+01 4.569e-02 2.080e-02 3.118e-03 / CHEB/ -1.263e-01 6.791e-02 2.854e-02 2.577e-03 / CHEB/ -4.517e-02 6.719e-02 3.666e-02 1.222e-02 / CHEB/ -2.365e-02 2.943e-02 2.083e-02 1.049e-02 / CHEB/ -1.503e-02 -6.778e-04 2.426e-03 3.045e-03 /

4027.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-4.8	-1.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-5.1	-1.4	+0.4

Chebyshev(coeffs=[[-9.30546,-0.340796,-0.191605,-0.0711754],[15.7609,0.0691313,0.0400655,0.0162042],[0.00710564,0.0771923,0.0327162,0.00392105],[-0.0162256,0.0866461,0.0434456,0.0110214],[-0.0176438,0.0401257,0.0244479,0.00930472],[-0.0168121,-0.000480818,0.00303516,0.00344147]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.84
S298 (cal/mol*K) = 6.03
G298 (kcal/mol) = 47.05

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(78); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.305e+00 -3.408e-01 -1.916e-01 -7.118e-02 / CHEB/ 1.576e+01 6.913e-02 4.007e-02 1.620e-02 / CHEB/ 7.106e-03 7.719e-02 3.272e-02 3.921e-03 / CHEB/ -1.623e-02 8.665e-02 4.345e-02 1.102e-02 / CHEB/ -1.764e-02 4.013e-02 2.445e-02 9.305e-03 / CHEB/ -1.681e-02 -4.808e-04 3.035e-03 3.441e-03 /

4028.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.0	-9.0	-3.9	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-25.1	-9.2	-4.0	-1.4

Chebyshev(coeffs=[[-17.8363,-0.21108,-0.117856,-0.041978],[22.5322,0.0367231,0.0148649,-0.000381909],[-0.0691824,0.0590351,0.0254582,0.00246102],[-0.0316365,0.0517116,0.0298138,0.0114707],[-0.0176727,0.0213242,0.0168596,0.0101038],[-0.0100026,-0.000734331,0.00193122,0.00266726]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.09
S298 (cal/mol*K) = 11.65
G298 (kcal/mol) = 69.62

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(464); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(464)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.784e+01 -2.111e-01 -1.179e-01 -4.198e-02 / CHEB/ 2.253e+01 3.672e-02 1.486e-02 -3.819e-04 / CHEB/ -6.918e-02 5.904e-02 2.546e-02 2.461e-03 / CHEB/ -3.164e-02 5.171e-02 2.981e-02 1.147e-02 / CHEB/ -1.767e-02 2.132e-02 1.686e-02 1.010e-02 / CHEB/ -1.000e-02 -7.343e-04 1.931e-03 2.667e-03 /

4029.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.0	-9.0	-3.9	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-25.1	-9.2	-4.0	-1.4

H298 (kcal/mol) = 73.09
S298 (cal/mol*K) = 11.65
G298 (kcal/mol) = 69.62

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(465); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(465)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.784e+01 -2.111e-01 -1.179e-01 -4.198e-02 / CHEB/ 2.253e+01 3.672e-02 1.486e-02 -3.819e-04 / CHEB/ -6.918e-02 5.904e-02 2.546e-02 2.461e-03 / CHEB/ -3.164e-02 5.171e-02 2.981e-02 1.147e-02 / CHEB/ -1.767e-02 2.132e-02 1.686e-02 1.010e-02 / CHEB/ -1.000e-02 -7.343e-04 1.931e-03 2.667e-03 /

4030.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.7	-4.3	-0.5	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-4.6	-0.6	+1.3

Chebyshev(coeffs=[[-9.94281,-0.294389,-0.164179,-0.0595733],[17.4597,0.0519798,0.0265877,0.00760742],[-0.117636,0.0721917,0.0303316,0.00306209],[-0.0440408,0.076284,0.0401352,0.0119949],[-0.0245823,0.0343991,0.022721,0.0101408],[-0.017148,-0.000536594,0.00272163,0.00321817]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.47
S298 (cal/mol*K) = 13.42
G298 (kcal/mol) = 44.47

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C6H9(318); H(25), CH2(T)(82); C7H10(65)+H(25)(+M)=>CH2(T)(82)+C6H9(318)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.943e+00 -2.944e-01 -1.642e-01 -5.957e-02 / CHEB/ 1.746e+01 5.198e-02 2.659e-02 7.607e-03 / CHEB/ -1.176e-01 7.219e-02 3.033e-02 3.062e-03 / CHEB/ -4.404e-02 7.628e-02 4.014e-02 1.199e-02 / CHEB/ -2.458e-02 3.440e-02 2.272e-02 1.014e-02 / CHEB/ -1.715e-02 -5.366e-04 2.722e-03 3.218e-03 /

4031.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.5	-10.1	-4.8	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-26.7	-10.3	-4.9	-2.2

Chebyshev(coeffs=[[-19.2879,-0.202222,-0.113261,-0.0405848],[23.1296,0.037893,0.0156834,1.67311e-05],[-0.00849624,0.0574192,0.0250463,0.00265427],[-0.0173005,0.0487407,0.0284194,0.0112257],[-0.012786,0.0194763,0.0158258,0.00982612],[-0.00761765,-0.00106771,0.00163969,0.00250922]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.29
S298 (cal/mol*K) = 8.31
G298 (kcal/mol) = 71.82

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(466); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(466)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.929e+01 -2.022e-01 -1.133e-01 -4.058e-02 / CHEB/ 2.313e+01 3.789e-02 1.568e-02 1.673e-05 / CHEB/ -8.496e-03 5.742e-02 2.505e-02 2.654e-03 / CHEB/ -1.730e-02 4.874e-02 2.842e-02 1.123e-02 / CHEB/ -1.279e-02 1.948e-02 1.583e-02 9.826e-03 / CHEB/ -7.618e-03 -1.068e-03 1.640e-03 2.509e-03 /

4032.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+5.2	+6.1	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+4.8	+5.9	+6.5

Chebyshev(coeffs=[[9.85001,-1.07622,-0.302919,-0.00757952],[2.0406,0.794403,0.105002,-0.0480595],[0.464227,0.124332,0.087044,-0.00176144],[0.126948,0.0455109,0.0361723,0.0162562],[0.042834,0.0371077,0.0158078,0.00803031],[0.00217922,0.00736579,0.00779732,0.00385579]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -37.93
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -35.60

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(481); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(481)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.850e+00 -1.076e+00 -3.029e-01 -7.580e-03 / CHEB/ 2.041e+00 7.944e-01 1.050e-01 -4.806e-02 / CHEB/ 4.642e-01 1.243e-01 8.704e-02 -1.761e-03 / CHEB/ 1.269e-01 4.551e-02 3.617e-02 1.626e-02 / CHEB/ 4.283e-02 3.711e-02 1.581e-02 8.030e-03 / CHEB/ 2.179e-03 7.366e-03 7.797e-03 3.856e-03 /

4033.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+3.6	+4.4	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+3.2	+4.2	+4.8

Chebyshev(coeffs=[[8.21882,-1.07716,-0.304074,-0.007864],[1.98858,0.789413,0.10349,-0.0483759],[0.419744,0.121972,0.0860148,-0.00197318],[0.111596,0.0459738,0.0358435,0.0159205],[0.0429811,0.0382953,0.0160295,0.00780897],[0.00158962,0.00832074,0.00815773,0.00381527]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.01
S298 (cal/mol*K) = -26.08
G298 (kcal/mol) = -60.24

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(482); H(25), C7H11(482); C7H10(18)+H(25)(+M)=>C7H11(482)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.219e+00 -1.077e+00 -3.041e-01 -7.864e-03 / CHEB/ 1.989e+00 7.894e-01 1.035e-01 -4.838e-02 / CHEB/ 4.197e-01 1.220e-01 8.601e-02 -1.973e-03 / CHEB/ 1.116e-01 4.597e-02 3.584e-02 1.592e-02 / CHEB/ 4.298e-02 3.830e-02 1.603e-02 7.809e-03 / CHEB/ 1.590e-03 8.321e-03 8.158e-03 3.815e-03 /

4034.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+4.0	+4.7	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+3.6	+4.5	+5.1

Chebyshev(coeffs=[[8.63427,-1.08424,-0.304952,-0.00744549],[1.92861,0.786961,0.101454,-0.0484717],[0.406703,0.124732,0.0856622,-0.00281233],[0.0941284,0.0483488,0.0364394,0.0155159],[0.0235608,0.0395679,0.0165399,0.00779296],[-0.00403586,0.00877234,0.00842853,0.00388498]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.01
S298 (cal/mol*K) = -26.08
G298 (kcal/mol) = -60.24

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(483); H(25), C7H11(483); C7H10(18)+H(25)(+M)=>C7H11(483)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.634e+00 -1.084e+00 -3.050e-01 -7.445e-03 / CHEB/ 1.929e+00 7.870e-01 1.015e-01 -4.847e-02 / CHEB/ 4.067e-01 1.247e-01 8.566e-02 -2.812e-03 / CHEB/ 9.413e-02 4.835e-02 3.644e-02 1.552e-02 / CHEB/ 2.356e-02 3.957e-02 1.654e-02 7.793e-03 / CHEB/ -4.036e-03 8.772e-03 8.429e-03 3.885e-03 /

4035.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.8	+6.3	+6.5	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+5.0	+5.8	+6.2	+6.5

Chebyshev(coeffs=[[11.551,-1.14966,-0.312324,-0.00323863],[0.814237,0.760282,0.0835235,-0.048444],[0.062859,0.150566,0.0813379,-0.0104072],[0.0305365,0.0713524,0.0407909,0.0112837],[0.0280536,0.0504388,0.0207792,0.0073978],[0.00163812,0.0125341,0.0109251,0.00443924]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -88.81
S298 (cal/mol*K) = -28.26
G298 (kcal/mol) = -80.39

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(484); H(25), C7H11(484); C7H10(18)+H(25)(+M)=>C7H11(484)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.155e+01 -1.150e+00 -3.123e-01 -3.239e-03 / CHEB/ 8.142e-01 7.603e-01 8.352e-02 -4.844e-02 / CHEB/ 6.286e-02 1.506e-01 8.134e-02 -1.041e-02 / CHEB/ 3.054e-02 7.135e-02 4.079e-02 1.128e-02 / CHEB/ 2.805e-02 5.044e-02 2.078e-02 7.398e-03 / CHEB/ 1.638e-03 1.253e-02 1.093e-02 4.439e-03 /

4036.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+3.0	+5.0	+6.2
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+2.7	+4.9	+6.2

Chebyshev(coeffs=[[5.69455,-0.88419,-0.289163,-0.0207864],[5.25808,0.749885,0.149056,-0.0394478],[0.974286,0.0487626,0.0778518,0.0180139],[0.189506,0.0183765,0.018937,0.0174063],[0.0454738,0.027961,0.00987298,0.0045375],[0.0011282,0.0038971,0.00548528,0.00252669]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.75
S298 (cal/mol*K) = 7.29
G298 (kcal/mol) = -2.92

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(485); H(25), CH3(423); C7H10(18)+H(25)(+M)=>CH3(423)+C6H8(485)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.695e+00 -8.842e-01 -2.892e-01 -2.079e-02 / CHEB/ 5.258e+00 7.499e-01 1.491e-01 -3.945e-02 / CHEB/ 9.743e-01 4.876e-02 7.785e-02 1.801e-02 / CHEB/ 1.895e-01 1.838e-02 1.894e-02 1.741e-02 / CHEB/ 4.547e-02 2.796e-02 9.873e-03 4.537e-03 / CHEB/ 1.128e-03 3.897e-03 5.485e-03 2.527e-03 /

4037.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-0.3	+1.8	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-0.6	+1.7	+3.0

Chebyshev(coeffs=[[1.63427,-0.811432,-0.294419,-0.0308876],[6.34627,0.671385,0.161486,-0.0313939],[0.839148,0.0474753,0.0696373,0.0227649],[0.156001,0.0231291,0.0183556,0.01523],[0.029621,0.0293585,0.0114185,0.00384417],[-0.00402882,0.00379295,0.00527932,0.00261845]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.99
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = 8.80

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(486); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(486)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.634e+00 -8.114e-01 -2.944e-01 -3.089e-02 / CHEB/ 6.346e+00 6.714e-01 1.615e-01 -3.139e-02 / CHEB/ 8.391e-01 4.748e-02 6.964e-02 2.276e-02 / CHEB/ 1.560e-01 2.313e-02 1.836e-02 1.523e-02 / CHEB/ 2.962e-02 2.936e-02 1.142e-02 3.844e-03 / CHEB/ -4.029e-03 3.793e-03 5.279e-03 2.618e-03 /

4038.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	-0.9	+1.2	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-1.2	+1.1	+2.4

Chebyshev(coeffs=[[1.40487,-0.83813,-0.288916,-0.0250173],[5.88444,0.707452,0.156094,-0.0353629],[0.92613,0.0442341,0.0718519,0.0202183],[0.177142,0.0190908,0.0173506,0.015869],[0.0383334,0.0281454,0.0104851,0.00413659],[-0.00126829,0.00403456,0.00556223,0.00268711]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.30
S298 (cal/mol*K) = -7.15
G298 (kcal/mol) = 6.43

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(487); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(487)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.405e+00 -8.381e-01 -2.889e-01 -2.502e-02 / CHEB/ 5.884e+00 7.075e-01 1.561e-01 -3.536e-02 / CHEB/ 9.261e-01 4.423e-02 7.185e-02 2.022e-02 / CHEB/ 1.771e-01 1.909e-02 1.735e-02 1.587e-02 / CHEB/ 3.833e-02 2.815e-02 1.049e-02 4.137e-03 / CHEB/ -1.268e-03 4.035e-03 5.562e-03 2.687e-03 /

4039.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.2	+4.0	+4.3	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+3.5	+4.1	+4.4

Chebyshev(coeffs=[[8.98855,-1.12387,-0.310361,-0.00527758],[1.15872,0.770433,0.0897642,-0.0491241],[0.177328,0.138916,0.082874,-0.0075445],[0.0493461,0.0611394,0.0390677,0.0130575],[0.0247671,0.045827,0.0191403,0.00765292],[-0.00228107,0.0112237,0.00999281,0.00426973]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.68
S298 (cal/mol*K) = -31.85
G298 (kcal/mol) = -55.19

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(488); H(25), C7H11(488); C7H10(18)+H(25)(+M)=>C7H11(488)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.989e+00 -1.124e+00 -3.104e-01 -5.278e-03 / CHEB/ 1.159e+00 7.704e-01 8.976e-02 -4.912e-02 / CHEB/ 1.773e-01 1.389e-01 8.287e-02 -7.545e-03 / CHEB/ 4.935e-02 6.114e-02 3.907e-02 1.306e-02 / CHEB/ 2.477e-02 4.583e-02 1.914e-02 7.653e-03 / CHEB/ -2.281e-03 1.122e-02 9.993e-03 4.270e-03 /

4040.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	+0.5	+3.5	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-7.2	+0.3	+3.5	+5.2

Chebyshev(coeffs=[[0.241758,-0.584884,-0.258764,-0.0490405],[9.88549,0.490608,0.172289,-0.00129578],[0.840873,0.0289085,0.0422762,0.0237347],[0.211686,0.017359,0.0115465,0.0088973],[0.0432128,0.0225166,0.010797,0.00321957],[-0.00189957,0.00181581,0.00368259,0.00285613]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.54
S298 (cal/mol*K) = 13.35
G298 (kcal/mol) = 10.57

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H6(490); H(25), C3H5(489); C7H10(18)+H(25)(+M)=>C3H5(489)+C4H6(490)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.418e-01 -5.849e-01 -2.588e-01 -4.904e-02 / CHEB/ 9.885e+00 4.906e-01 1.723e-01 -1.296e-03 / CHEB/ 8.409e-01 2.891e-02 4.228e-02 2.373e-02 / CHEB/ 2.117e-01 1.736e-02 1.155e-02 8.897e-03 / CHEB/ 4.321e-02 2.252e-02 1.080e-02 3.220e-03 / CHEB/ -1.900e-03 1.816e-03 3.683e-03 2.856e-03 /

4041.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.4	+0.7	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-1.7	+0.6	+1.9

Chebyshev(coeffs=[[0.928867,-0.842585,-0.289581,-0.0247597],[5.8058,0.708488,0.155011,-0.0358047],[0.910419,0.0453701,0.0721886,0.0198588],[0.170888,0.0197397,0.0177327,0.0159073],[0.0352295,0.0285615,0.0106582,0.00420473],[-0.00217697,0.00423192,0.0056759,0.00272235]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.30
S298 (cal/mol*K) = -7.15
G298 (kcal/mol) = 6.43

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(491); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(491)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.289e-01 -8.426e-01 -2.896e-01 -2.476e-02 / CHEB/ 5.806e+00 7.085e-01 1.550e-01 -3.580e-02 / CHEB/ 9.104e-01 4.537e-02 7.219e-02 1.986e-02 / CHEB/ 1.709e-01 1.974e-02 1.773e-02 1.591e-02 / CHEB/ 3.523e-02 2.856e-02 1.066e-02 4.205e-03 / CHEB/ -2.177e-03 4.232e-03 5.676e-03 2.722e-03 /

4042.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+2.4	+2.5	+2.5
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+1.8	+2.2	+2.4

Chebyshev(coeffs=[[7.55923,-1.15303,-0.313711,-0.00336625],[0.767727,0.754276,0.0812356,-0.0487478],[0.0270104,0.147904,0.0798819,-0.0108325],[0.00988589,0.0714885,0.0402294,0.0108152],[0.0182322,0.0516633,0.0208297,0.00706326],[-0.00245019,0.0137157,0.0112133,0.00428584]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.50
S298 (cal/mol*K) = -33.68
G298 (kcal/mol) = -59.46

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(492); H(25), C7H11(492); C7H10(18)+H(25)(+M)=>C7H11(492)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.559e+00 -1.153e+00 -3.137e-01 -3.366e-03 / CHEB/ 7.677e-01 7.543e-01 8.124e-02 -4.875e-02 / CHEB/ 2.701e-02 1.479e-01 7.988e-02 -1.083e-02 / CHEB/ 9.886e-03 7.149e-02 4.023e-02 1.082e-02 / CHEB/ 1.823e-02 5.166e-02 2.083e-02 7.063e-03 / CHEB/ -2.450e-03 1.372e-02 1.121e-02 4.286e-03 /

4043.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+3.9	+3.9	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.4	+3.6	+3.7

Chebyshev(coeffs=[[9.24566,-1.16915,-0.315815,-0.00237868],[0.499397,0.743992,0.0764198,-0.0485518],[-0.0631902,0.151833,0.0779825,-0.0125468],[-0.0110171,0.0773038,0.0406565,0.00953164],[0.0173394,0.0553827,0.0217443,0.00664768],[-0.00180718,0.0154054,0.0119491,0.00425863]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -109.77
S298 (cal/mol*K) = -47.35
G298 (kcal/mol) = -95.66

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(493); H(25), C7H11(493); C7H10(18)+H(25)(+M)=>C7H11(493)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.246e+00 -1.169e+00 -3.158e-01 -2.379e-03 / CHEB/ 4.994e-01 7.440e-01 7.642e-02 -4.855e-02 / CHEB/ -6.319e-02 1.518e-01 7.798e-02 -1.255e-02 / CHEB/ -1.102e-02 7.730e-02 4.066e-02 9.532e-03 / CHEB/ 1.734e-02 5.538e-02 2.174e-02 6.648e-03 / CHEB/ -1.807e-03 1.541e-02 1.195e-02 4.259e-03 /

4044.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-3.1	+0.6	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-3.2	+0.5	+2.5

Chebyshev(coeffs=[[-5.69853,-0.394126,-0.206755,-0.0623961],[13.4607,0.307236,0.140842,0.024135],[0.558166,0.0242422,0.0249816,0.0170265],[0.172965,0.0218401,0.0122603,0.00526906],[0.0342571,0.0193366,0.0109874,0.00408918],[-0.00561189,0.000860537,0.00248903,0.00265173]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.42
S298 (cal/mol*K) = 10.17
G298 (kcal/mol) = 26.39

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(494); H(25), C2H4(495); C7H10(18)+H(25)(+M)=>C5H7(494)+C2H4(495)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.699e+00 -3.941e-01 -2.068e-01 -6.240e-02 / CHEB/ 1.346e+01 3.072e-01 1.408e-01 2.414e-02 / CHEB/ 5.582e-01 2.424e-02 2.498e-02 1.703e-02 / CHEB/ 1.730e-01 2.184e-02 1.226e-02 5.269e-03 / CHEB/ 3.426e-02 1.934e-02 1.099e-02 4.089e-03 / CHEB/ -5.612e-03 8.605e-04 2.489e-03 2.652e-03 /

4049.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	+2.4	+5.1	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-6.8	+2.0	+5.0	+6.2

Chebyshev(coeffs=[[0.33659,-0.681384,-0.335285,-0.0828202],[11.829,0.338884,0.154919,0.0259258],[0.215652,0.193226,0.07862,0.00547047],[-0.0460161,0.0793947,0.0388895,0.00931755],[-0.0776017,-0.00695417,0.00718945,0.0101774],[-0.0456694,-0.0174185,-0.00253012,0.00450151]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.06
S298 (cal/mol*K) = 19.95
G298 (kcal/mol) = 24.12

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(512); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(512)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.366e-01 -6.814e-01 -3.353e-01 -8.282e-02 / CHEB/ 1.183e+01 3.389e-01 1.549e-01 2.593e-02 / CHEB/ 2.157e-01 1.932e-01 7.862e-02 5.470e-03 / CHEB/ -4.602e-02 7.939e-02 3.889e-02 9.318e-03 / CHEB/ -7.760e-02 -6.954e-03 7.189e-03 1.018e-02 / CHEB/ -4.567e-02 -1.742e-02 -2.530e-03 4.502e-03 /

4050.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+3.8	+6.1	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+3.4	+5.9	+7.0

Chebyshev(coeffs=[[2.97026,-0.816357,-0.37196,-0.0711795],[9.89365,0.443677,0.175472,0.00886199],[0.261404,0.203334,0.0802195,0.00437612],[-0.0491058,0.0781751,0.0392324,0.0100707],[-0.0850698,-0.00528197,0.00940023,0.0108735],[-0.0493432,-0.0158738,-0.00131975,0.00490585]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.86
S298 (cal/mol*K) = 30.84
G298 (kcal/mol) = 11.67

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C5H9(514); H(25), C#C(513); C7H10(65)+H(25)(+M)=>C5H9(514)+C#C(513)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.970e+00 -8.164e-01 -3.720e-01 -7.118e-02 / CHEB/ 9.894e+00 4.437e-01 1.755e-01 8.862e-03 / CHEB/ 2.614e-01 2.033e-01 8.022e-02 4.376e-03 / CHEB/ -4.911e-02 7.818e-02 3.923e-02 1.007e-02 / CHEB/ -8.507e-02 -5.282e-03 9.400e-03 1.087e-02 / CHEB/ -4.934e-02 -1.587e-02 -1.320e-03 4.906e-03 /

4051.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+3.1	+5.2	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+2.7	+5.0	+6.0

Chebyshev(coeffs=[[2.87751,-0.909284,-0.387667,-0.0584411],[8.94382,0.537904,0.187003,-0.0073185],[0.367909,0.20276,0.0816366,0.0054897],[-0.0342487,0.0739362,0.0392713,0.0113652],[-0.0837251,-0.00527317,0.0103224,0.0112191],[-0.0489381,-0.0153598,-0.00104694,0.00497178]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.81
S298 (cal/mol*K) = -1.63
G298 (kcal/mol) = -4.32

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(515); H(25), C7H11(515); C7H10(65)+H(25)(+M)=>C7H11(515)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.878e+00 -9.093e-01 -3.877e-01 -5.844e-02 / CHEB/ 8.944e+00 5.379e-01 1.870e-01 -7.319e-03 / CHEB/ 3.679e-01 2.028e-01 8.164e-02 5.490e-03 / CHEB/ -3.425e-02 7.394e-02 3.927e-02 1.137e-02 / CHEB/ -8.373e-02 -5.273e-03 1.032e-02 1.122e-02 / CHEB/ -4.894e-02 -1.536e-02 -1.047e-03 4.972e-03 /

4052.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	+1.1	+3.8	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-8.1	+0.7	+3.7	+4.9

Chebyshev(coeffs=[[-1.02179,-0.676526,-0.333878,-0.083242],[11.8962,0.332908,0.15307,0.0263547],[0.19724,0.193194,0.0785679,0.00537128],[-0.0497557,0.0797284,0.0389548,0.00925364],[-0.0785198,-0.00685839,0.00717418,0.0101494],[-0.0460283,-0.0173719,-0.00251331,0.00450039]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.55
S298 (cal/mol*K) = -4.65
G298 (kcal/mol) = -27.16

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(516); H(25), C7H11(516); C7H10(65)+H(25)(+M)=>C7H11(516)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.022e+00 -6.765e-01 -3.339e-01 -8.324e-02 / CHEB/ 1.190e+01 3.329e-01 1.531e-01 2.635e-02 / CHEB/ 1.972e-01 1.932e-01 7.857e-02 5.371e-03 / CHEB/ -4.976e-02 7.973e-02 3.895e-02 9.254e-03 / CHEB/ -7.852e-02 -6.858e-03 7.174e-03 1.015e-02 / CHEB/ -4.603e-02 -1.737e-02 -2.513e-03 4.500e-03 /

4053.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+5.5	+6.9	+7.4
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+5.0	+6.7	+7.3

Chebyshev(coeffs=[[7.3683,-1.32589,-0.386021,-0.00396653],[5.67632,0.930618,0.13251,-0.0726822],[0.453185,0.194439,0.104192,0.00106785],[-0.0412819,0.0642671,0.0427337,0.0162521],[-0.0931124,-0.00441535,0.0140832,0.0129461],[-0.0546733,-0.0140032,0.000637401,0.00573737]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.36
S298 (cal/mol*K) = 0.08
G298 (kcal/mol) = -15.38

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H11(517); H(25), C7H11(517); C7H10(65)+H(25)(+M)=>C7H11(517)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.368e+00 -1.326e+00 -3.860e-01 -3.967e-03 / CHEB/ 5.676e+00 9.306e-01 1.325e-01 -7.268e-02 / CHEB/ 4.532e-01 1.944e-01 1.042e-01 1.068e-03 / CHEB/ -4.128e-02 6.427e-02 4.273e-02 1.625e-02 / CHEB/ -9.311e-02 -4.415e-03 1.408e-02 1.295e-02 / CHEB/ -5.467e-02 -1.400e-02 6.374e-04 5.737e-03 /

4054.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-2.4	+2.4	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-2.5	+2.3	+4.5

Chebyshev(coeffs=[[-10.7967,-0.340578,-0.19114,-0.0680067],[21.6949,0.145483,0.0791589,0.0253437],[-0.175819,0.137905,0.0678626,0.0152666],[-0.124526,0.0474859,0.0270021,0.0100144],[-0.0888253,-0.0180836,-0.00341743,0.00491239],[-0.0469216,-0.0166935,-0.00611278,0.000814539]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.78
S298 (cal/mol*K) = 36.84
G298 (kcal/mol) = 60.80

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C4H6(74); H(25), C3H5(98); C7H10(65)+H(25)(+M)=>C3H5(98)+C4H6(74)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.080e+01 -3.406e-01 -1.911e-01 -6.801e-02 / CHEB/ 2.169e+01 1.455e-01 7.916e-02 2.534e-02 / CHEB/ -1.758e-01 1.379e-01 6.786e-02 1.527e-02 / CHEB/ -1.245e-01 4.749e-02 2.700e-02 1.001e-02 / CHEB/ -8.883e-02 -1.808e-02 -3.417e-03 4.912e-03 / CHEB/ -4.692e-02 -1.669e-02 -6.113e-03 8.145e-04 /

4055.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-0.2	+4.3	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-0.4	+4.2	+6.3

Chebyshev(coeffs=[[-7.42659,-0.394023,-0.215813,-0.0722284],[19.915,0.170375,0.0903392,0.0268235],[0.0186281,0.151361,0.0710722,0.0129056],[-0.0685834,0.0553737,0.0305178,0.0104558],[-0.0717881,-0.0169825,-0.00139153,0.00656232],[-0.0413726,-0.0177486,-0.00575828,0.0016518]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.18
S298 (cal/mol*K) = 39.39
G298 (kcal/mol) = 53.44

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C4H7(518); H(25), C3H4(73); C7H10(65)+H(25)(+M)=>C4H7(518)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.427e+00 -3.940e-01 -2.158e-01 -7.223e-02 / CHEB/ 1.991e+01 1.704e-01 9.034e-02 2.682e-02 / CHEB/ 1.863e-02 1.514e-01 7.107e-02 1.291e-02 / CHEB/ -6.858e-02 5.537e-02 3.052e-02 1.046e-02 / CHEB/ -7.179e-02 -1.698e-02 -1.392e-03 6.562e-03 / CHEB/ -4.137e-02 -1.775e-02 -5.758e-03 1.652e-03 /

4056.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.0	-9.3	-2.8	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-30.2	-9.4	-2.8	+0.2

Chebyshev(coeffs=[[-22.5598,-0.203506,-0.124072,-0.0535753],[29.2313,0.0846318,0.0512801,0.0217391],[-0.169911,0.0959941,0.0541128,0.0191915],[-0.129508,0.0293524,0.0179021,0.00777106],[-0.0882185,-0.0176324,-0.00743588,-9.69541e-05],[-0.0455875,-0.0134244,-0.00658584,-0.00134951]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.84
S298 (cal/mol*K) = 30.27
G298 (kcal/mol) = 86.82

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(111); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.256e+01 -2.035e-01 -1.241e-01 -5.358e-02 / CHEB/ 2.923e+01 8.463e-02 5.128e-02 2.174e-02 / CHEB/ -1.699e-01 9.599e-02 5.411e-02 1.919e-02 / CHEB/ -1.295e-01 2.935e-02 1.790e-02 7.771e-03 / CHEB/ -8.822e-02 -1.763e-02 -7.436e-03 -9.695e-05 / CHEB/ -4.559e-02 -1.342e-02 -6.586e-03 -1.350e-03 /

4057.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.9	-6.7	-0.9	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-25.1	-6.8	-0.9	+1.8

Chebyshev(coeffs=[[-17.607,-0.270323,-0.157868,-0.0618551],[25.7019,0.115437,0.0660929,0.0243863],[-0.0661008,0.117808,0.0620625,0.0179697],[-0.09534,0.0376382,0.0222506,0.00903584],[-0.0778323,-0.0187464,-0.00594253,0.00233118],[-0.0427218,-0.0152886,-0.00656956,-0.000378494]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.65
S298 (cal/mol*K) = 24.16
G298 (kcal/mol) = 75.46

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(115); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.761e+01 -2.703e-01 -1.579e-01 -6.186e-02 / CHEB/ 2.570e+01 1.154e-01 6.609e-02 2.439e-02 / CHEB/ -6.610e-02 1.178e-01 6.206e-02 1.797e-02 / CHEB/ -9.534e-02 3.764e-02 2.225e-02 9.036e-03 / CHEB/ -7.783e-02 -1.875e-02 -5.943e-03 2.331e-03 / CHEB/ -4.272e-02 -1.529e-02 -6.570e-03 -3.785e-04 /

4058.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.9	-7.9	-1.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-29.1	-8.0	-1.3	+1.7

Chebyshev(coeffs=[[-21.4658,-0.191342,-0.117597,-0.0516638],[29.6799,0.0792183,0.0484947,0.0210397],[-0.250783,0.0916314,0.0523139,0.0191967],[-0.154595,0.0278427,0.0170827,0.00750681],[-0.0960473,-0.0172892,-0.0076122,-0.000510954],[-0.0481298,-0.0130324,-0.00654576,-0.00150714]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.72
S298 (cal/mol*K) = 39.44
G298 (kcal/mol) = 85.96

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C5H9(514); H(25), C2H2(519); C7H10(65)+H(25)(+M)=>C2H2(519)+C5H9(514)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.147e+01 -1.913e-01 -1.176e-01 -5.166e-02 / CHEB/ 2.968e+01 7.922e-02 4.849e-02 2.104e-02 / CHEB/ -2.508e-01 9.163e-02 5.231e-02 1.920e-02 / CHEB/ -1.546e-01 2.784e-02 1.708e-02 7.507e-03 / CHEB/ -9.605e-02 -1.729e-02 -7.612e-03 -5.110e-04 / CHEB/ -4.813e-02 -1.303e-02 -6.546e-03 -1.507e-03 /

4059.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.5	-5.3	+0.3	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-22.8	-5.4	+0.3	+3.0

Chebyshev(coeffs=[[-15.1295,-0.303879,-0.173542,-0.0644487],[24.1014,0.141433,0.0786238,0.0268095],[0.144722,0.127213,0.0651571,0.0171757],[-0.0385888,0.0395178,0.0234036,0.00955434],[-0.062254,-0.0205405,-0.00584763,0.0032749],[-0.038266,-0.0166733,-0.00695319,-0.000187103]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.05
S298 (cal/mol*K) = 25.33
G298 (kcal/mol) = 68.51

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(114); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.513e+01 -3.039e-01 -1.735e-01 -6.445e-02 / CHEB/ 2.410e+01 1.414e-01 7.862e-02 2.681e-02 / CHEB/ 1.447e-01 1.272e-01 6.516e-02 1.718e-02 / CHEB/ -3.859e-02 3.952e-02 2.340e-02 9.554e-03 / CHEB/ -6.225e-02 -2.054e-02 -5.848e-03 3.275e-03 / CHEB/ -3.827e-02 -1.667e-02 -6.953e-03 -1.871e-04 /

4060.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.6	-12.5	-5.1	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-12.6	-5.1	-1.7

Chebyshev(coeffs=[[-27.9096,-0.158502,-0.09956,-0.0457738],[32.6321,0.0647813,0.040746,0.0187417],[-0.133031,0.0792644,0.0468428,0.0187537],[-0.123253,0.0236755,0.0147724,0.00671628],[-0.0841354,-0.0161126,-0.00788773,-0.00152678],[-0.0430623,-0.0118486,-0.00633262,-0.00187422]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 106.39
S298 (cal/mol*K) = 27.18
G298 (kcal/mol) = 98.30

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(520); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(520)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.791e+01 -1.585e-01 -9.956e-02 -4.577e-02 / CHEB/ 3.263e+01 6.478e-02 4.075e-02 1.874e-02 / CHEB/ -1.330e-01 7.926e-02 4.684e-02 1.875e-02 / CHEB/ -1.233e-01 2.368e-02 1.477e-02 6.716e-03 / CHEB/ -8.414e-02 -1.611e-02 -7.888e-03 -1.527e-03 / CHEB/ -4.306e-02 -1.185e-02 -6.333e-03 -1.874e-03 /

4061.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.6	-12.3	-4.8	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-35.7	-12.4	-4.9	-1.3

Chebyshev(coeffs=[[-27.8416,-0.156184,-0.0982351,-0.0452875],[32.8401,0.0647745,0.04079,0.018809],[-0.10124,0.0782098,0.0463481,0.0186814],[-0.116057,0.0230868,0.0144463,0.00660667],[-0.0817756,-0.0161734,-0.00799439,-0.00163717],[-0.042223,-0.0117843,-0.00634254,-0.00192427]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 106.39
S298 (cal/mol*K) = 27.18
G298 (kcal/mol) = 98.30

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(521); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(521)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.784e+01 -1.562e-01 -9.824e-02 -4.529e-02 / CHEB/ 3.284e+01 6.477e-02 4.079e-02 1.881e-02 / CHEB/ -1.012e-01 7.821e-02 4.635e-02 1.868e-02 / CHEB/ -1.161e-01 2.309e-02 1.445e-02 6.607e-03 / CHEB/ -8.178e-02 -1.617e-02 -7.994e-03 -1.637e-03 / CHEB/ -4.222e-02 -1.178e-02 -6.343e-03 -1.924e-03 /

4062.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.6	-11.9	-4.4	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-35.7	-12.0	-4.4	-0.8

Chebyshev(coeffs=[[-27.8251,-0.150505,-0.0950398,-0.0441688],[33.3518,0.061325,0.0388195,0.0180936],[-0.117224,0.0761008,0.0453543,0.0185276],[-0.119446,0.0226304,0.0141814,0.00650316],[-0.0823806,-0.0157669,-0.00790462,-0.00174505],[-0.0421579,-0.0115272,-0.00625293,-0.00194719]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 108.59
S298 (cal/mol*K) = 25.38
G298 (kcal/mol) = 101.03

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(36); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.783e+01 -1.505e-01 -9.504e-02 -4.417e-02 / CHEB/ 3.335e+01 6.133e-02 3.882e-02 1.809e-02 / CHEB/ -1.172e-01 7.610e-02 4.535e-02 1.853e-02 / CHEB/ -1.194e-01 2.263e-02 1.418e-02 6.503e-03 / CHEB/ -8.238e-02 -1.577e-02 -7.905e-03 -1.745e-03 / CHEB/ -4.216e-02 -1.153e-02 -6.253e-03 -1.947e-03 /

4063.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-43.7	-16.8	-8.2	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-43.8	-16.8	-8.2	-4.1

Chebyshev(coeffs=[[-35.6598,-0.100326,-0.0654845,-0.0324622],[37.9739,0.0401828,0.0264102,0.0132539],[-0.169027,0.0547005,0.0343651,0.0157803],[-0.137371,0.0156344,0.0100906,0.00490013],[-0.0840699,-0.0129402,-0.00741574,-0.00271227],[-0.0400193,-0.00907956,-0.00538816,-0.0021701]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 123.83
S298 (cal/mol*K) = 25.77
G298 (kcal/mol) = 116.15

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H10(65), C7H10(522); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(522)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.566e+01 -1.003e-01 -6.548e-02 -3.246e-02 / CHEB/ 3.797e+01 4.018e-02 2.641e-02 1.325e-02 / CHEB/ -1.690e-01 5.470e-02 3.437e-02 1.578e-02 / CHEB/ -1.374e-01 1.563e-02 1.009e-02 4.900e-03 / CHEB/ -8.407e-02 -1.294e-02 -7.416e-03 -2.712e-03 / CHEB/ -4.002e-02 -9.080e-03 -5.388e-03 -2.170e-03 /

4100.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+2.9	+4.1	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+1.8	+3.5	+3.9

Chebyshev(coeffs=[[3.67997,-2.14009,-0.245998,0.0300041],[6.66376,0.96048,-0.238453,-0.0825268],[0.151952,0.415616,0.0794125,-0.035544],[-0.276656,0.0763116,0.0774283,0.0136216],[-0.148904,0.0131192,0.028875,0.00999653],[-0.0497386,0.0159242,0.00777325,-0.00185271]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.35
S298 (cal/mol*K) = 30.00
G298 (kcal/mol) = 5.41

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H7(585); H(25), CH3(423); C7H9(5)+H(25)(+M)=>CH3(423)+C6H7(585)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.680e+00 -2.140e+00 -2.460e-01 3.000e-02 / CHEB/ 6.664e+00 9.605e-01 -2.385e-01 -8.253e-02 / CHEB/ 1.520e-01 4.156e-01 7.941e-02 -3.554e-02 / CHEB/ -2.767e-01 7.631e-02 7.743e-02 1.362e-02 / CHEB/ -1.489e-01 1.312e-02 2.888e-02 9.997e-03 / CHEB/ -4.974e-02 1.592e-02 7.773e-03 -1.853e-03 /

4101.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	-2.8	-0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-3.3	-0.4	+0.5

Chebyshev(coeffs=[[-7.01482,-1.61861,-0.4562,-0.00843286],[14.4226,1.07939,0.110576,-0.101258],[-0.329868,0.215608,0.117481,0.0135624],[-0.306311,-0.0251917,0.0384246,0.0249834],[-0.148403,0.000358923,0.00776018,0.00837273],[-0.0626435,0.0194013,0.0037145,-8.30405e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.12
S298 (cal/mol*K) = 35.67
G298 (kcal/mol) = 36.49

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H5(586); H(25), C2H5(419); C7H9(5)+H(25)(+M)=>C5H5(586)+C2H5(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.015e+00 -1.619e+00 -4.562e-01 -8.433e-03 / CHEB/ 1.442e+01 1.079e+00 1.106e-01 -1.013e-01 / CHEB/ -3.299e-01 2.156e-01 1.175e-01 1.356e-02 / CHEB/ -3.063e-01 -2.519e-02 3.842e-02 2.498e-02 / CHEB/ -1.484e-01 3.589e-04 7.760e-03 8.373e-03 / CHEB/ -6.264e-02 1.940e-02 3.715e-03 -8.304e-05 /

4102.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.6	-7.1	-3.5	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-20.7	-7.6	-3.8	-2.3

Chebyshev(coeffs=[[-13.1731,-1.41756,-0.479089,-0.0303076],[17.467,0.986292,0.187193,-0.0816317],[-0.183129,0.175801,0.107158,0.0231351],[-0.254144,-0.0337241,0.0235337,0.0246547],[-0.128535,0.00229195,0.00383939,0.00565566],[-0.0555765,0.0190658,0.00419063,-0.000774167]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.80
S298 (cal/mol*K) = 22.02
G298 (kcal/mol) = 49.24

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(587); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(587)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.317e+01 -1.418e+00 -4.791e-01 -3.031e-02 / CHEB/ 1.747e+01 9.863e-01 1.872e-01 -8.163e-02 / CHEB/ -1.831e-01 1.758e-01 1.072e-01 2.314e-02 / CHEB/ -2.541e-01 -3.372e-02 2.353e-02 2.465e-02 / CHEB/ -1.285e-01 2.292e-03 3.839e-03 5.656e-03 / CHEB/ -5.558e-02 1.907e-02 4.191e-03 -7.742e-04 /

4103.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-1.0	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-1.7	+1.1	+2.0

Chebyshev(coeffs=[[-4.15057,-1.79887,-0.415709,0.00418837],[12.816,1.1371,0.0226319,-0.10492],[-0.17757,0.260153,0.120055,0.00215611],[-0.274687,-0.0118099,0.0525204,0.022039],[-0.139945,-0.000887151,0.01321,0.0100009],[-0.0582989,0.0186384,0.00398796,0.000954502]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.71
S298 (cal/mol*K) = 36.38
G298 (kcal/mol) = 28.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H7(439); H(25), C3H3(588); C7H9(5)+H(25)(+M)=>C3H3(588)+C4H7(439)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.151e+00 -1.799e+00 -4.157e-01 4.188e-03 / CHEB/ 1.282e+01 1.137e+00 2.263e-02 -1.049e-01 / CHEB/ -1.776e-01 2.602e-01 1.201e-01 2.156e-03 / CHEB/ -2.747e-01 -1.181e-02 5.252e-02 2.204e-02 / CHEB/ -1.399e-01 -8.872e-04 1.321e-02 1.000e-02 / CHEB/ -5.830e-02 1.864e-02 3.988e-03 9.545e-04 /

4104.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-3.7	-0.0	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-4.2	-0.3	+1.6

Chebyshev(coeffs=[[-8.23839,-1.61265,-0.446452,-0.0120678],[15.6435,1.12666,0.109994,-0.109168],[0.237642,0.238486,0.11821,0.00672249],[-0.0312712,-0.046139,0.0323973,0.0234451],[-0.013378,-0.0335485,-0.00368792,0.00889712],[-0.00377171,-0.00285735,-0.00516848,0.000113883]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.60
S298 (cal/mol*K) = 20.92
G298 (kcal/mol) = 40.36

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(589); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(589)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.238e+00 -1.613e+00 -4.465e-01 -1.207e-02 / CHEB/ 1.564e+01 1.127e+00 1.100e-01 -1.092e-01 / CHEB/ 2.376e-01 2.385e-01 1.182e-01 6.722e-03 / CHEB/ -3.127e-02 -4.614e-02 3.240e-02 2.345e-02 / CHEB/ -1.338e-02 -3.355e-02 -3.688e-03 8.897e-03 / CHEB/ -3.772e-03 -2.857e-03 -5.168e-03 1.139e-04 /

4105.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-1.5	+0.8	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-2.3	+0.4	+1.3

Chebyshev(coeffs=[[-3.99586,-1.92834,-0.374193,0.00992583],[11.7773,1.14644,-0.0523556,-0.100021],[0.026782,0.302949,0.115307,-0.00697001],[-0.23122,0.00469519,0.062565,0.0180942],[-0.12732,-0.000784669,0.0185056,0.0100119],[-0.0515652,0.017443,0.00486807,0.00152817]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.51
S298 (cal/mol*K) = 22.90
G298 (kcal/mol) = 27.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(590); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(590)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.996e+00 -1.928e+00 -3.742e-01 9.926e-03 / CHEB/ 1.178e+01 1.146e+00 -5.236e-02 -1.000e-01 / CHEB/ 2.678e-02 3.029e-01 1.153e-01 -6.970e-03 / CHEB/ -2.312e-01 4.695e-03 6.256e-02 1.809e-02 / CHEB/ -1.273e-01 -7.847e-04 1.851e-02 1.001e-02 / CHEB/ -5.157e-02 1.744e-02 4.868e-03 1.528e-03 /

4106.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-3.2	-0.7	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-3.9	-1.2	-0.1

Chebyshev(coeffs=[[-5.77584,-1.9006,-0.379431,0.0085365],[12.0377,1.15979,-0.0378311,-0.101252],[0.0320129,0.296917,0.119477,-0.005148],[-0.223106,-0.000672131,0.061447,0.0193698],[-0.123576,-0.002754,0.0168587,0.0104123],[-0.0340816,0.0163182,0.00422599,0.00154993]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.36
S298 (cal/mol*K) = 16.96
G298 (kcal/mol) = 30.30

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(591); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(591)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.776e+00 -1.901e+00 -3.794e-01 8.536e-03 / CHEB/ 1.204e+01 1.160e+00 -3.783e-02 -1.013e-01 / CHEB/ 3.201e-02 2.969e-01 1.195e-01 -5.148e-03 / CHEB/ -2.231e-01 -6.721e-04 6.145e-02 1.937e-02 / CHEB/ -1.236e-01 -2.754e-03 1.686e-02 1.041e-02 / CHEB/ -3.408e-02 1.632e-02 4.226e-03 1.550e-03 /

4107.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-3.0	-0.3	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-3.7	-0.7	+0.7

Chebyshev(coeffs=[[-4.99888,-1.91024,-0.357402,0.00509832],[11.5475,1.20914,-0.051824,-0.109029],[0.246336,0.34526,0.117508,-0.0150052],[-0.0764985,-0.00195484,0.060625,0.015548],[-0.029487,-0.030377,0.010927,0.0106468],[0.00468865,-0.00687407,-0.00308421,0.00226092]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.72
S298 (cal/mol*K) = 3.80
G298 (kcal/mol) = 24.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(592); H(25), C7H10(592); C7H9(5)+H(25)(+M)=>C7H10(592)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.999e+00 -1.910e+00 -3.574e-01 5.098e-03 / CHEB/ 1.155e+01 1.209e+00 -5.182e-02 -1.090e-01 / CHEB/ 2.463e-01 3.453e-01 1.175e-01 -1.501e-02 / CHEB/ -7.650e-02 -1.955e-03 6.062e-02 1.555e-02 / CHEB/ -2.949e-02 -3.038e-02 1.093e-02 1.065e-02 / CHEB/ 4.689e-03 -6.874e-03 -3.084e-03 2.261e-03 /

4108.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+3.1	+4.2	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+2.0	+3.5	+4.0

Chebyshev(coeffs=[[4.49744,-2.16743,-0.208987,0.0216488],[5.78307,0.876726,-0.281533,-0.0544058],[0.274163,0.436358,0.0635408,-0.0523295],[-0.265269,0.0954657,0.0816425,0.0111085],[-0.145565,0.0215428,0.0296371,0.0136156],[-0.0471013,0.0178232,0.0071944,-0.00206107]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.90
S298 (cal/mol*K) = 5.30
G298 (kcal/mol) = 1.33

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(593); H(25), C7H10(593); C7H9(5)+H(25)(+M)=>C7H10(593)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.497e+00 -2.167e+00 -2.090e-01 2.165e-02 / CHEB/ 5.783e+00 8.767e-01 -2.815e-01 -5.441e-02 / CHEB/ 2.742e-01 4.364e-01 6.354e-02 -5.233e-02 / CHEB/ -2.653e-01 9.547e-02 8.164e-02 1.111e-02 / CHEB/ -1.456e-01 2.154e-02 2.964e-02 1.362e-02 / CHEB/ -4.710e-02 1.782e-02 7.194e-03 -2.061e-03 /

4109.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-4.1	-1.3	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-4.8	-1.7	-0.6

Chebyshev(coeffs=[[-7.80512,-1.77746,-0.42151,0.0030744],[13.7233,1.13225,0.0340181,-0.105231],[-0.0413673,0.254175,0.120198,0.00362174],[-0.232574,-0.0138316,0.0508382,0.0225568],[-0.125746,-0.000797293,0.0124581,0.00988131],[-0.0535577,0.0187843,0.00390448,0.000827455]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.72
S298 (cal/mol*K) = 3.80
G298 (kcal/mol) = 24.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(594); H(25), C7H10(594); C7H9(5)+H(25)(+M)=>C7H10(594)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.805e+00 -1.777e+00 -4.215e-01 3.074e-03 / CHEB/ 1.372e+01 1.132e+00 3.402e-02 -1.052e-01 / CHEB/ -4.137e-02 2.542e-01 1.202e-01 3.622e-03 / CHEB/ -2.326e-01 -1.383e-02 5.084e-02 2.256e-02 / CHEB/ -1.257e-01 -7.973e-04 1.246e-02 9.881e-03 / CHEB/ -5.356e-02 1.878e-02 3.904e-03 8.275e-04 /

4110.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-2.5	-0.7	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-3.4	-1.2	-0.5

Chebyshev(coeffs=[[-3.41146,-2.05289,-0.317586,0.0203567],[9.35808,1.0914,-0.141481,-0.0962538],[0.0749946,0.361802,0.100593,-0.0165316],[-0.24926,0.0348162,0.0714621,0.0143348],[-0.136157,0.00235996,0.0249663,0.00858858],[-0.0503985,0.0158162,0.00653291,0.000750202]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.72
S298 (cal/mol*K) = 7.19
G298 (kcal/mol) = 16.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(595); H(25), C7H10(595); C7H9(5)+H(25)(+M)=>C7H10(595)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.411e+00 -2.053e+00 -3.176e-01 2.036e-02 / CHEB/ 9.358e+00 1.091e+00 -1.415e-01 -9.625e-02 / CHEB/ 7.499e-02 3.618e-01 1.006e-01 -1.653e-02 / CHEB/ -2.493e-01 3.482e-02 7.146e-02 1.433e-02 / CHEB/ -1.362e-01 2.360e-03 2.497e-02 8.589e-03 / CHEB/ -5.040e-02 1.582e-02 6.533e-03 7.502e-04 /

4111.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-3.1	-1.3	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-4.1	-2.0	-1.3

Chebyshev(coeffs=[[-3.20506,-2.11242,-0.274633,0.0292388],[8.21721,1.01565,-0.201394,-0.0928845],[0.242814,0.397804,0.0877435,-0.0258608],[-0.22996,0.0605186,0.0752414,0.0138488],[-0.132214,0.00801003,0.0279637,0.0086011],[-0.0456304,0.0154347,0.00752669,-0.000907601]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.32
S298 (cal/mol*K) = -2.10
G298 (kcal/mol) = 9.95

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(596); H(25), C7H10(596); C7H9(5)+H(25)(+M)=>C7H10(596)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.205e+00 -2.112e+00 -2.746e-01 2.924e-02 / CHEB/ 8.217e+00 1.016e+00 -2.014e-01 -9.288e-02 / CHEB/ 2.428e-01 3.978e-01 8.774e-02 -2.586e-02 / CHEB/ -2.300e-01 6.052e-02 7.524e-02 1.385e-02 / CHEB/ -1.322e-01 8.010e-03 2.796e-02 8.601e-03 / CHEB/ -4.563e-02 1.543e-02 7.527e-03 -9.076e-04 /

4112.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-1.2	+0.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-2.2	-0.4	+0.1

Chebyshev(coeffs=[[-0.437759,-2.14453,-0.24065,0.0294819],[6.87064,0.949697,-0.245095,-0.0795721],[0.242982,0.418616,0.0776935,-0.0376868],[-0.253502,0.0791109,0.0778968,0.0134807],[-0.141388,0.0141842,0.0289829,0.010389],[-0.0468167,0.0160929,0.00776643,-0.00197354]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.15
S298 (cal/mol*K) = 2.72
G298 (kcal/mol) = 4.34

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(597); H(25), C7H10(597); C7H9(5)+H(25)(+M)=>C7H10(597)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.378e-01 -2.145e+00 -2.407e-01 2.948e-02 / CHEB/ 6.871e+00 9.497e-01 -2.451e-01 -7.957e-02 / CHEB/ 2.430e-01 4.186e-01 7.769e-02 -3.769e-02 / CHEB/ -2.535e-01 7.911e-02 7.790e-02 1.348e-02 / CHEB/ -1.414e-01 1.418e-02 2.898e-02 1.039e-02 / CHEB/ -4.682e-02 1.609e-02 7.766e-03 -1.974e-03 /

4113.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-2.9	-1.2	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.9	-1.8	-1.1

Chebyshev(coeffs=[[-3.22177,-2.09579,-0.288658,0.0269856],[8.48355,1.0417,-0.182429,-0.0950739],[0.169888,0.387406,0.0918065,-0.0222257],[-0.241466,0.0522728,0.0741763,0.0138691],[-0.135257,0.0058706,0.0272225,0.00834821],[-0.0477371,0.0154252,0.00726814,-0.000343745]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.52
S298 (cal/mol*K) = -1.00
G298 (kcal/mol) = 18.82

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(598); H(25), C7H10(598); C7H9(5)+H(25)(+M)=>C7H10(598)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.222e+00 -2.096e+00 -2.887e-01 2.699e-02 / CHEB/ 8.484e+00 1.042e+00 -1.824e-01 -9.507e-02 / CHEB/ 1.699e-01 3.874e-01 9.181e-02 -2.223e-02 / CHEB/ -2.415e-01 5.227e-02 7.418e-02 1.387e-02 / CHEB/ -1.353e-01 5.871e-03 2.722e-02 8.348e-03 / CHEB/ -4.774e-02 1.543e-02 7.268e-03 -3.437e-04 /

4114.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	-0.2	+0.8	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-1.4	-0.0	+0.4

Chebyshev(coeffs=[[2.06479,-2.1949,-0.173882,-0.000342541],[4.58113,0.731547,-0.30448,-0.00153007],[0.38892,0.457966,0.0184174,-0.0707737],[-0.24227,0.122526,0.0876788,-0.00182593],[-0.13742,0.0359158,0.0342777,0.0195779],[-0.0439447,0.0235019,0.0043729,0.00133879]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.23
S298 (cal/mol*K) = -3.64
G298 (kcal/mol) = -5.14

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(599); H(25), C7H10(599); C7H9(5)+H(25)(+M)=>C7H10(599)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.065e+00 -2.195e+00 -1.739e-01 -3.425e-04 / CHEB/ 4.581e+00 7.315e-01 -3.045e-01 -1.530e-03 / CHEB/ 3.889e-01 4.580e-01 1.842e-02 -7.077e-02 / CHEB/ -2.423e-01 1.225e-01 8.768e-02 -1.826e-03 / CHEB/ -1.374e-01 3.592e-02 3.428e-02 1.958e-02 / CHEB/ -4.394e-02 2.350e-02 4.373e-03 1.339e-03 /

4115.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-5.8	-2.6	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-6.3	-2.9	-1.6

Chebyshev(coeffs=[[-11.4356,-1.43749,-0.477906,-0.0278836],[16.65,0.996376,0.180674,-0.0841693],[-0.311872,0.179471,0.108439,0.0223445],[-0.292754,-0.0330869,0.0249429,0.0248447],[-0.141637,0.00210255,0.00413304,0.00593909],[-0.0602571,0.0191524,0.00412474,-0.00073838]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.10
S298 (cal/mol*K) = 28.19
G298 (kcal/mol) = 45.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(600); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(600)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.144e+01 -1.437e+00 -4.779e-01 -2.788e-02 / CHEB/ 1.665e+01 9.964e-01 1.807e-01 -8.417e-02 / CHEB/ -3.119e-01 1.795e-01 1.084e-01 2.234e-02 / CHEB/ -2.928e-01 -3.309e-02 2.494e-02 2.484e-02 / CHEB/ -1.416e-01 2.103e-03 4.133e-03 5.939e-03 / CHEB/ -6.026e-02 1.915e-02 4.125e-03 -7.384e-04 /

4116.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+1.0	+2.0	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-4.9	-0.2	+1.1	+1.6

Chebyshev(coeffs=[[3.24921,-2.19524,-0.173633,-0.000571895],[4.5401,0.729885,-0.304451,-0.000993695],[0.383215,0.458036,0.0178011,-0.0708623],[-0.243745,0.122869,0.087677,-0.0020383],[-0.13792,0.0360885,0.0343757,0.019624],[-0.0441238,0.0235814,0.00434229,0.00140231]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.24
S298 (cal/mol*K) = 8.73
G298 (kcal/mol) = -3.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(601); H(25), C7H10(601); C7H9(5)+H(25)(+M)=>C7H10(601)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.249e+00 -2.195e+00 -1.736e-01 -5.719e-04 / CHEB/ 4.540e+00 7.299e-01 -3.045e-01 -9.937e-04 / CHEB/ 3.832e-01 4.580e-01 1.780e-02 -7.086e-02 / CHEB/ -2.437e-01 1.229e-01 8.768e-02 -2.038e-03 / CHEB/ -1.379e-01 3.609e-02 3.438e-02 1.962e-02 / CHEB/ -4.412e-02 2.358e-02 4.342e-03 1.402e-03 /

4117.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+1.0	+2.1	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.2	+1.3	+1.8

Chebyshev(coeffs=[[2.88972,-2.1782,-0.181575,0.00541367],[5.1102,0.789113,-0.301644,-0.0176139],[0.402575,0.460727,0.0370934,-0.0674838],[-0.252468,0.114046,0.0883872,0.00403913],[-0.137157,0.0297778,0.0322999,0.0182927],[-0.0394899,0.0195585,0.00525865,-0.000118217]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.24
S298 (cal/mol*K) = -6.64
G298 (kcal/mol) = -48.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(602); H(25), C7H10(602); C7H9(5)+H(25)(+M)=>C7H10(602)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.890e+00 -2.178e+00 -1.816e-01 5.414e-03 / CHEB/ 5.110e+00 7.891e-01 -3.016e-01 -1.761e-02 / CHEB/ 4.026e-01 4.607e-01 3.709e-02 -6.748e-02 / CHEB/ -2.525e-01 1.140e-01 8.839e-02 4.039e-03 / CHEB/ -1.372e-01 2.978e-02 3.230e-02 1.829e-02 / CHEB/ -3.949e-02 1.956e-02 5.259e-03 -1.182e-04 /

4118.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+2.5	+4.8	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-7.4	+1.7	+4.3	+5.3

Chebyshev(coeffs=[[0.593642,-1.97442,-0.347616,0.0126446],[11.0211,1.15062,-0.0884072,-0.098143],[0.148276,0.330339,0.114928,-0.0104328],[-0.213182,0.0120157,0.0678042,0.0171241],[-0.125416,-0.00277909,0.0205355,0.00994892],[-0.0506599,0.015983,0.00489831,0.0015224]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.81
S298 (cal/mol*K) = 18.76
G298 (kcal/mol) = 20.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(603); H(25), C7H10(603); C7H9(5)+H(25)(+M)=>C7H10(603)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.936e-01 -1.974e+00 -3.476e-01 1.264e-02 / CHEB/ 1.102e+01 1.151e+00 -8.841e-02 -9.814e-02 / CHEB/ 1.483e-01 3.303e-01 1.149e-01 -1.043e-02 / CHEB/ -2.132e-01 1.202e-02 6.780e-02 1.712e-02 / CHEB/ -1.254e-01 -2.779e-03 2.054e-02 9.949e-03 / CHEB/ -5.066e-02 1.598e-02 4.898e-03 1.522e-03 /

4119.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	+0.7	+2.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-0.2	+2.4	+3.4

Chebyshev(coeffs=[[-1.27929,-1.9861,-0.351025,0.0133296],[11.0139,1.13284,-0.0904252,-0.0975297],[0.0959717,0.327416,0.110166,-0.0111029],[-0.222586,0.015944,0.0668508,0.0161389],[-0.125533,-2.7173e-05,0.0213494,0.00949873],[-0.0493222,0.0167225,0.0055249,0.00147148]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.81
S298 (cal/mol*K) = 18.76
G298 (kcal/mol) = 20.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(604); H(25), C7H10(604); C7H9(5)+H(25)(+M)=>C7H10(604)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.279e+00 -1.986e+00 -3.510e-01 1.333e-02 / CHEB/ 1.101e+01 1.133e+00 -9.043e-02 -9.753e-02 / CHEB/ 9.597e-02 3.274e-01 1.102e-01 -1.110e-02 / CHEB/ -2.226e-01 1.594e-02 6.685e-02 1.614e-02 / CHEB/ -1.255e-01 -2.717e-05 2.135e-02 9.499e-03 / CHEB/ -4.932e-02 1.672e-02 5.525e-03 1.471e-03 /

4120.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+1.2	+3.1	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-6.8	+0.3	+2.6	+3.6

Chebyshev(coeffs=[[1.30404,-2.06361,-0.269464,0.0208154],[8.19172,1.11756,-0.181059,-0.104917],[0.322415,0.438841,0.0966891,-0.032093],[-0.127377,0.058021,0.0751876,0.011184],[-0.0570261,-0.0135214,0.0227409,0.00892357],[0.00406406,-0.0032442,0.00130314,-9.75713e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.89
S298 (cal/mol*K) = 19.66
G298 (kcal/mol) = 8.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(605); H(25), C7H10(605); C7H9(5)+H(25)(+M)=>C7H10(605)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.304e+00 -2.064e+00 -2.695e-01 2.082e-02 / CHEB/ 8.192e+00 1.118e+00 -1.811e-01 -1.049e-01 / CHEB/ 3.224e-01 4.388e-01 9.669e-02 -3.209e-02 / CHEB/ -1.274e-01 5.802e-02 7.519e-02 1.118e-02 / CHEB/ -5.703e-02 -1.352e-02 2.274e-02 8.924e-03 / CHEB/ 4.064e-03 -3.244e-03 1.303e-03 -9.757e-05 /

4121.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-3.3	-1.5	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-4.2	-2.0	-1.3

Chebyshev(coeffs=[[-4.21583,-2.04103,-0.324302,0.0187664],[9.38716,1.10148,-0.131571,-0.0963395],[0.0125203,0.355172,0.102634,-0.0154203],[-0.263225,0.0308342,0.0706797,0.0145801],[-0.140406,0.00173921,0.0243112,0.00874824],[-0.0524443,0.0159703,0.00633587,0.00095425]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.60
S298 (cal/mol*K) = -3.16
G298 (kcal/mol) = 13.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(606); H(25), C7H10(606); C7H9(5)+H(25)(+M)=>C7H10(606)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.216e+00 -2.041e+00 -3.243e-01 1.877e-02 / CHEB/ 9.387e+00 1.101e+00 -1.316e-01 -9.634e-02 / CHEB/ 1.252e-02 3.552e-01 1.026e-01 -1.542e-02 / CHEB/ -2.632e-01 3.083e-02 7.068e-02 1.458e-02 / CHEB/ -1.404e-01 1.739e-03 2.431e-02 8.748e-03 / CHEB/ -5.244e-02 1.597e-02 6.336e-03 9.542e-04 /

4122.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+4.5	+4.8	+4.6
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+3.1	+3.8	+3.9

Chebyshev(coeffs=[[8.20734,-2.27403,-0.146664,-0.0205091],[2.34715,0.497229,-0.276227,0.0537286],[0.096078,0.415152,-0.0594362,-0.0603332],[-0.235643,0.165965,0.0589503,-0.0327774],[-0.124004,0.0688831,0.0466907,0.0131088],[-0.0387564,0.0393902,0.00778719,0.00997063]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.73
S298 (cal/mol*K) = -19.10
G298 (kcal/mol) = -51.04

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(607); H(25), C7H10(607); C7H9(5)+H(25)(+M)=>C7H10(607)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.207e+00 -2.274e+00 -1.467e-01 -2.051e-02 / CHEB/ 2.347e+00 4.972e-01 -2.762e-01 5.373e-02 / CHEB/ 9.608e-02 4.152e-01 -5.944e-02 -6.033e-02 / CHEB/ -2.356e-01 1.660e-01 5.895e-02 -3.278e-02 / CHEB/ -1.240e-01 6.888e-02 4.669e-02 1.311e-02 / CHEB/ -3.876e-02 3.939e-02 7.787e-03 9.971e-03 /

4153.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.3	+4.1	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+2.5	+3.7	+4.2

Chebyshev(coeffs=[[6.1628,-2.62992,-0.364496,-0.0189024],[3.98675,2.10105,-0.0896936,-0.0729001],[0.17204,0.161975,0.192797,0.00188157],[-0.0696298,-0.0123726,0.0736358,0.0196239],[-0.0337532,0.0357163,0.00786879,0.00589295],[-0.01732,0.0390121,0.00065519,-0.00114689]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.34
S298 (cal/mol*K) = 23.50
G298 (kcal/mol) = -13.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(608); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(608)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.163e+00 -2.630e+00 -3.645e-01 -1.890e-02 / CHEB/ 3.987e+00 2.101e+00 -8.969e-02 -7.290e-02 / CHEB/ 1.720e-01 1.620e-01 1.928e-01 1.882e-03 / CHEB/ -6.963e-02 -1.237e-02 7.364e-02 1.962e-02 / CHEB/ -3.375e-02 3.572e-02 7.869e-03 5.893e-03 / CHEB/ -1.732e-02 3.901e-02 6.552e-04 -1.147e-03 /

4154.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-0.7	+2.4	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-1.2	+2.2	+4.1

Chebyshev(coeffs=[[-1.2514,-1.10904,-0.486788,-0.108179],[10.1188,0.816672,0.289555,0.0202659],[0.915582,0.0466221,0.0532754,0.0292383],[0.226766,0.0886286,0.040369,0.00838632],[0.0726644,0.0647367,0.0308049,0.00677513],[0.0224213,0.00699409,0.00784408,0.00472823]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.12
S298 (cal/mol*K) = 11.35
G298 (kcal/mol) = 13.74

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(609); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(609)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.251e+00 -1.109e+00 -4.868e-01 -1.082e-01 / CHEB/ 1.012e+01 8.167e-01 2.896e-01 2.027e-02 / CHEB/ 9.156e-01 4.662e-02 5.328e-02 2.924e-02 / CHEB/ 2.268e-01 8.863e-02 4.037e-02 8.386e-03 / CHEB/ 7.266e-02 6.474e-02 3.080e-02 6.775e-03 / CHEB/ 2.242e-02 6.994e-03 7.844e-03 4.728e-03 /

4155.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+5.0	+5.6	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+4.1	+5.1	+5.6

Chebyshev(coeffs=[[8.22242,-2.79938,-0.340054,-0.0203766],[3.37655,2.14386,-0.155309,-0.073986],[0.0699216,0.20795,0.178302,-0.00364674],[-0.0611475,0.000563942,0.0854388,0.015011],[-0.0109896,0.0304976,0.0167891,0.0062866],[-0.00768356,0.0391319,0.00226462,6.515e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.10
S298 (cal/mol*K) = 33.51
G298 (kcal/mol) = -25.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(610); H(25), CH3(423); C7H10(1)+H(25)(+M)=>CH3(423)+C6H8(610)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.222e+00 -2.799e+00 -3.401e-01 -2.038e-02 / CHEB/ 3.377e+00 2.144e+00 -1.553e-01 -7.399e-02 / CHEB/ 6.992e-02 2.080e-01 1.783e-01 -3.647e-03 / CHEB/ -6.115e-02 5.639e-04 8.544e-02 1.501e-02 / CHEB/ -1.099e-02 3.050e-02 1.679e-02 6.287e-03 / CHEB/ -7.684e-03 3.913e-02 2.265e-03 6.515e-05 /

4156.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+3.5	+4.0	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+2.6	+3.5	+3.9

Chebyshev(coeffs=[[6.60703,-2.7735,-0.337163,-0.0190985],[3.43358,2.1392,-0.141263,-0.0683889],[0.0310373,0.206571,0.180139,-0.00217432],[-0.0927047,-0.00119603,0.0826551,0.015218],[-0.026565,0.0288717,0.0138248,0.0058453],[-0.0159191,0.0358294,0.000217592,-0.000428861]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -38.80
S298 (cal/mol*K) = 3.81
G298 (kcal/mol) = -39.93

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(611); H(25), C7H11(611); C7H10(1)+H(25)(+M)=>C7H11(611)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.607e+00 -2.774e+00 -3.372e-01 -1.910e-02 / CHEB/ 3.434e+00 2.139e+00 -1.413e-01 -6.839e-02 / CHEB/ 3.104e-02 2.066e-01 1.801e-01 -2.174e-03 / CHEB/ -9.270e-02 -1.196e-03 8.266e-02 1.522e-02 / CHEB/ -2.656e-02 2.887e-02 1.382e-02 5.845e-03 / CHEB/ -1.592e-02 3.583e-02 2.176e-04 -4.289e-04 /

4157.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-1.2	+0.8	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-1.7	+0.5	+1.7

Chebyshev(coeffs=[[-0.327561,-2.49034,-0.569653,0.0286581],[7.50461,2.35665,0.313135,-0.136859],[0.44409,-0.0281144,0.0956962,0.0189707],[0.034854,-0.095857,0.0308141,0.0400647],[0.0147324,0.0513476,0.0128616,0.0014949],[-0.00548264,0.042089,0.00579719,-0.0055083]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.30
S298 (cal/mol*K) = 0.38
G298 (kcal/mol) = -26.41

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(612); H(25), C7H11(612); C7H10(1)+H(25)(+M)=>C7H11(612)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.276e-01 -2.490e+00 -5.697e-01 2.866e-02 / CHEB/ 7.505e+00 2.357e+00 3.131e-01 -1.369e-01 / CHEB/ 4.441e-01 -2.811e-02 9.570e-02 1.897e-02 / CHEB/ 3.485e-02 -9.586e-02 3.081e-02 4.006e-02 / CHEB/ 1.473e-02 5.135e-02 1.286e-02 1.495e-03 / CHEB/ -5.483e-03 4.209e-02 5.797e-03 -5.508e-03 /

4158.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.7	+3.3	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+1.8	+2.8	+3.2

Chebyshev(coeffs=[[5.64387,-2.74396,-0.343127,-0.0200879],[3.65291,2.12946,-0.132707,-0.0685155],[0.0724685,0.195709,0.182339,-0.00210668],[-0.0974024,-0.00611891,0.0808002,0.0161425],[-0.0411028,0.0293125,0.0123742,0.00605794],[-0.0207636,0.036746,9.32225e-05,-0.000548445]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.85
S298 (cal/mol*K) = 3.01
G298 (kcal/mol) = -37.74

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(613); H(25), C7H11(613); C7H10(1)+H(25)(+M)=>C7H11(613)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.644e+00 -2.744e+00 -3.431e-01 -2.009e-02 / CHEB/ 3.653e+00 2.129e+00 -1.327e-01 -6.852e-02 / CHEB/ 7.247e-02 1.957e-01 1.823e-01 -2.107e-03 / CHEB/ -9.740e-02 -6.119e-03 8.080e-02 1.614e-02 / CHEB/ -4.110e-02 2.931e-02 1.237e-02 6.058e-03 / CHEB/ -2.076e-02 3.675e-02 9.322e-05 -5.484e-04 /

4159.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.2	+0.4	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.8	+0.0	+1.0

Chebyshev(coeffs=[[0.16859,-1.9673,-0.533299,-0.0213137],[6.5083,1.54335,0.196943,-0.0915058],[0.30432,0.109442,0.142449,0.0316444],[-0.0188951,0.0072456,0.0340547,0.0221456],[-0.015627,0.0535996,0.00725426,-0.00101904],[-0.00425131,0.0345888,0.00980081,-0.00250511]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.30
S298 (cal/mol*K) = 0.38
G298 (kcal/mol) = -26.41

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(614); H(25), C7H11(614); C7H10(1)+H(25)(+M)=>C7H11(614)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.686e-01 -1.967e+00 -5.333e-01 -2.131e-02 / CHEB/ 6.508e+00 1.543e+00 1.969e-01 -9.151e-02 / CHEB/ 3.043e-01 1.094e-01 1.424e-01 3.164e-02 / CHEB/ -1.890e-02 7.246e-03 3.405e-02 2.215e-02 / CHEB/ -1.563e-02 5.360e-02 7.254e-03 -1.019e-03 / CHEB/ -4.251e-03 3.459e-02 9.801e-03 -2.505e-03 /

4160.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+3.5	+3.3	+2.9
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+2.8	+3.2	+3.2

Chebyshev(coeffs=[[7.35924,-2.47635,-0.413077,-0.000700234],[1.79534,2.79652,-0.291379,-0.079567],[-0.463419,0.47128,0.142599,-0.00724258],[-0.199417,0.0452296,0.0901693,0.0110367],[-0.0429155,0.0100255,0.0244074,0.00288521],[-0.029032,0.0316031,0.005146,-0.00390346]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.30
S298 (cal/mol*K) = -5.24
G298 (kcal/mol) = -48.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(555); H(25), C7H11(555); C7H10(1)+H(25)(+M)=>C7H11(555)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.359e+00 -2.476e+00 -4.131e-01 -7.002e-04 / CHEB/ 1.795e+00 2.797e+00 -2.914e-01 -7.957e-02 / CHEB/ -4.634e-01 4.713e-01 1.426e-01 -7.243e-03 / CHEB/ -1.994e-01 4.523e-02 9.017e-02 1.104e-02 / CHEB/ -4.292e-02 1.003e-02 2.441e-02 2.885e-03 / CHEB/ -2.903e-02 3.160e-02 5.146e-03 -3.903e-03 /

4161.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-0.8	+1.1	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-1.4	+0.8	+1.9

Chebyshev(coeffs=[[-1.04528,-1.36407,-0.562947,-0.0929772],[8.93509,0.944114,0.301159,-0.0105593],[0.0354556,0.109784,0.0838327,0.0328422],[-0.0226857,0.0481886,0.0251167,0.00994525],[-0.00264297,0.0590337,0.0195904,-0.00115287],[0.00435943,0.0297927,0.0146165,0.00182407]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.66
S298 (cal/mol*K) = 29.20
G298 (kcal/mol) = 15.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(615); H(25), CH3(423); C7H10(1)+H(25)(+M)=>CH3(423)+C6H8(615)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.045e+00 -1.364e+00 -5.629e-01 -9.298e-02 / CHEB/ 8.935e+00 9.441e-01 3.012e-01 -1.056e-02 / CHEB/ 3.546e-02 1.098e-01 8.383e-02 3.284e-02 / CHEB/ -2.269e-02 4.819e-02 2.512e-02 9.945e-03 / CHEB/ -2.643e-03 5.903e-02 1.959e-02 -1.153e-03 / CHEB/ 4.359e-03 2.979e-02 1.462e-02 1.824e-03 /

4162.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-4.8	-2.1	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-5.2	-2.4	-0.9

Chebyshev(coeffs=[[-6.66562,-1.03352,-0.490248,-0.119799],[11.6459,0.696068,0.289563,0.0391339],[0.0915831,0.0855406,0.0608561,0.0289396],[0.00563396,0.0563436,0.0221311,0.00326678],[0.00741729,0.0539378,0.0199385,-0.00111311],[0.00735724,0.0197565,0.0114232,0.00278333]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.35
S298 (cal/mol*K) = 18.49
G298 (kcal/mol) = 27.85

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(616); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(616)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.666e+00 -1.034e+00 -4.902e-01 -1.198e-01 / CHEB/ 1.165e+01 6.961e-01 2.896e-01 3.913e-02 / CHEB/ 9.158e-02 8.554e-02 6.086e-02 2.894e-02 / CHEB/ 5.634e-03 5.634e-02 2.213e-02 3.267e-03 / CHEB/ 7.417e-03 5.394e-02 1.994e-02 -1.113e-03 / CHEB/ 7.357e-03 1.976e-02 1.142e-02 2.783e-03 /

4163.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-6.2	-2.3	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-6.5	-2.5	-0.3

Chebyshev(coeffs=[[-10.6756,-0.623413,-0.344984,-0.125332],[16.016,0.335332,0.176095,0.0569],[0.131656,0.0589405,0.0333407,0.0133968],[0.0810341,0.0715634,0.0319546,0.00445651],[0.0492025,0.0520006,0.0267521,0.00648007],[0.0258728,0.012663,0.00990103,0.00539876]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.15
S298 (cal/mol*K) = 26.62
G298 (kcal/mol) = 40.22

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(617); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(617)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.068e+01 -6.234e-01 -3.450e-01 -1.253e-01 / CHEB/ 1.602e+01 3.353e-01 1.761e-01 5.690e-02 / CHEB/ 1.317e-01 5.894e-02 3.334e-02 1.340e-02 / CHEB/ 8.103e-02 7.156e-02 3.195e-02 4.457e-03 / CHEB/ 4.920e-02 5.200e-02 2.675e-02 6.480e-03 / CHEB/ 2.587e-02 1.266e-02 9.901e-03 5.399e-03 /

4164.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-5.1	-2.3	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-5.5	-2.5	-0.9

Chebyshev(coeffs=[[-7.51652,-0.940023,-0.46278,-0.125172],[12.4733,0.618483,0.273498,0.0493124],[0.0968059,0.0782771,0.054048,0.0263183],[0.00228408,0.0602776,0.0233612,0.00213419],[-0.00143892,0.0538106,0.021206,-0.000172437],[0.00617461,0.0177053,0.0108957,0.00335638]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.70
S298 (cal/mol*K) = 18.37
G298 (kcal/mol) = 29.23

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(581); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(581)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.517e+00 -9.400e-01 -4.628e-01 -1.252e-01 / CHEB/ 1.247e+01 6.185e-01 2.735e-01 4.931e-02 / CHEB/ 9.681e-02 7.828e-02 5.405e-02 2.632e-02 / CHEB/ 2.284e-03 6.028e-02 2.336e-02 2.134e-03 / CHEB/ -1.439e-03 5.381e-02 2.121e-02 -1.724e-04 / CHEB/ 6.175e-03 1.771e-02 1.090e-02 3.356e-03 /

4165.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.0	-8.7	-4.2	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-22.3	-8.9	-4.3	-1.9

Chebyshev(coeffs=[[-15.1557,-0.415265,-0.241317,-0.09744],[19.0773,0.203919,0.11915,0.0494616],[0.0156572,0.0456982,0.021543,0.00508851],[0.0383298,0.0597034,0.0280959,0.00503794],[0.0356026,0.0364207,0.0209197,0.00711882],[0.0212703,0.00382817,0.00473672,0.00364667]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.70
S298 (cal/mol*K) = 23.99
G298 (kcal/mol) = 51.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(618); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(618)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.516e+01 -4.153e-01 -2.413e-01 -9.744e-02 / CHEB/ 1.908e+01 2.039e-01 1.191e-01 4.946e-02 / CHEB/ 1.566e-02 4.570e-02 2.154e-02 5.089e-03 / CHEB/ 3.833e-02 5.970e-02 2.810e-02 5.038e-03 / CHEB/ 3.560e-02 3.642e-02 2.092e-02 7.119e-03 / CHEB/ 2.127e-02 3.828e-03 4.737e-03 3.647e-03 /

4166.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.2	-7.5	-2.8	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-7.7	-2.9	-0.4

Chebyshev(coeffs=[[-14.1756,-0.385634,-0.227061,-0.0949211],[19.4414,0.133167,0.0785598,0.0345275],[0.194763,0.0527306,0.0238018,0.00403752],[0.0843362,0.0803985,0.0421632,0.0123395],[0.0340733,0.0426294,0.0260477,0.0106057],[0.011376,0.00255598,0.00413548,0.00358401]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.70
S298 (cal/mol*K) = 23.99
G298 (kcal/mol) = 51.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(619); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(619)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.418e+01 -3.856e-01 -2.271e-01 -9.492e-02 / CHEB/ 1.944e+01 1.332e-01 7.856e-02 3.453e-02 / CHEB/ 1.948e-01 5.273e-02 2.380e-02 4.038e-03 / CHEB/ 8.434e-02 8.040e-02 4.216e-02 1.234e-02 / CHEB/ 3.407e-02 4.263e-02 2.605e-02 1.061e-02 / CHEB/ 1.138e-02 2.556e-03 4.135e-03 3.584e-03 /

4167.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-1.0	+0.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-1.7	-0.2	+0.5

Chebyshev(coeffs=[[0.878923,-2.17319,-0.493748,-0.0119689],[5.48217,1.71765,0.118191,-0.0965528],[0.203414,0.118879,0.16288,0.0231378],[-0.0730865,0.000315867,0.0442492,0.0235924],[-0.0389703,0.0523757,0.0047703,0.0011022],[-0.0147971,0.0364216,0.00719318,-0.00292626]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.23
S298 (cal/mol*K) = 0.61
G298 (kcal/mol) = -12.42

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(620); H(25), C7H11(620); C7H10(1)+H(25)(+M)=>C7H11(620)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.789e-01 -2.173e+00 -4.937e-01 -1.197e-02 / CHEB/ 5.482e+00 1.718e+00 1.182e-01 -9.655e-02 / CHEB/ 2.034e-01 1.189e-01 1.629e-01 2.314e-02 / CHEB/ -7.309e-02 3.159e-04 4.425e-02 2.359e-02 / CHEB/ -3.897e-02 5.238e-02 4.770e-03 1.102e-03 / CHEB/ -1.480e-02 3.642e-02 7.193e-03 -2.926e-03 /

4168.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+2.2	+3.5	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-3.3	+1.5	+3.1	+3.9

Chebyshev(coeffs=[[4.18704,-2.26192,-0.486153,-0.0142756],[5.43925,1.7648,0.0764923,-0.0994865],[0.28405,0.12215,0.168703,0.0174607],[-0.0352113,0.00345348,0.0511758,0.0236938],[-0.0193551,0.0573038,0.00787641,0.00292844],[-0.00558973,0.0417897,0.00888767,-0.00188929]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.80
S298 (cal/mol*K) = 7.62
G298 (kcal/mol) = -34.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(621); H(25), C7H11(621); C7H10(1)+H(25)(+M)=>C7H11(621)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.187e+00 -2.262e+00 -4.862e-01 -1.428e-02 / CHEB/ 5.439e+00 1.765e+00 7.649e-02 -9.949e-02 / CHEB/ 2.840e-01 1.221e-01 1.687e-01 1.746e-02 / CHEB/ -3.521e-02 3.453e-03 5.118e-02 2.369e-02 / CHEB/ -1.936e-02 5.730e-02 7.876e-03 2.928e-03 / CHEB/ -5.590e-03 4.179e-02 8.888e-03 -1.889e-03 /

4169.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.0	-9.6	-5.1	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-9.8	-5.2	-2.9

Chebyshev(coeffs=[[-16.096,-0.413319,-0.240295,-0.0971118],[19.105,0.202574,0.118454,0.0492472],[0.0130232,0.0455659,0.0214325,0.00500541],[0.037522,0.0595806,0.0280765,0.00507347],[0.0353634,0.0362839,0.0208802,0.00714297],[0.0211955,0.00377746,0.00470642,0.00363742]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.95
S298 (cal/mol*K) = 23.99
G298 (kcal/mol) = 51.81

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(622); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(622)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.610e+01 -4.133e-01 -2.403e-01 -9.711e-02 / CHEB/ 1.910e+01 2.026e-01 1.185e-01 4.925e-02 / CHEB/ 1.302e-02 4.557e-02 2.143e-02 5.005e-03 / CHEB/ 3.752e-02 5.958e-02 2.808e-02 5.073e-03 / CHEB/ 3.536e-02 3.628e-02 2.088e-02 7.143e-03 / CHEB/ 2.120e-02 3.777e-03 4.706e-03 3.637e-03 /

4170.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.3	+4.1	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+2.5	+3.7	+4.2

Chebyshev(coeffs=[[6.096,-2.67127,-0.352819,-0.0203359],[4.0612,2.11271,-0.104726,-0.0671643],[0.164929,0.186034,0.188246,-0.00148285],[-0.0750556,-0.00951754,0.077953,0.0177192],[-0.0328067,0.0318091,0.0102232,0.00652316],[-0.0155914,0.0374372,0.000241313,-0.000487603]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.81
S298 (cal/mol*K) = 22.68
G298 (kcal/mol) = -11.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(496); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(496)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.096e+00 -2.671e+00 -3.528e-01 -2.034e-02 / CHEB/ 4.061e+00 2.113e+00 -1.047e-01 -6.716e-02 / CHEB/ 1.649e-01 1.860e-01 1.882e-01 -1.483e-03 / CHEB/ -7.506e-02 -9.518e-03 7.795e-02 1.772e-02 / CHEB/ -3.281e-02 3.181e-02 1.022e-02 6.523e-03 / CHEB/ -1.559e-02 3.744e-02 2.413e-04 -4.876e-04 /

4171.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+4.3	+4.9	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+3.2	+4.4	+5.0

Chebyshev(coeffs=[[7.20053,-3.23132,-0.341962,0.0411567],[3.74875,2.56052,-0.168141,-0.116094],[0.088717,0.318572,0.201878,-0.0375357],[-0.0521015,-0.00603963,0.0913068,0.0154109],[-0.0101339,0.0111031,0.0259387,0.0152866],[-0.00668752,0.0236225,0.00500284,0.0078222]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.47
S298 (cal/mol*K) = 14.44
G298 (kcal/mol) = -23.77

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(452); H(25), C7H11(452); C7H10(1)+H(25)(+M)=>C7H11(452)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.201e+00 -3.231e+00 -3.420e-01 4.116e-02 / CHEB/ 3.749e+00 2.561e+00 -1.681e-01 -1.161e-01 / CHEB/ 8.872e-02 3.186e-01 2.019e-01 -3.754e-02 / CHEB/ -5.210e-02 -6.040e-03 9.131e-02 1.541e-02 / CHEB/ -1.013e-02 1.110e-02 2.594e-02 1.529e-02 / CHEB/ -6.688e-03 2.362e-02 5.003e-03 7.822e-03 /

4172.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+1.2	+2.4	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+0.5	+2.1	+2.8

Chebyshev(coeffs=[[3.18669,-2.19362,-0.484867,-0.0122655],[5.4771,1.75002,0.107503,-0.0952269],[0.224142,0.115613,0.167483,0.0221668],[-0.04649,-0.00210847,0.0449232,0.0239257],[-0.0110297,0.0509942,0.00413151,0.00146965],[-0.00611614,0.0362694,0.00685452,-0.00290762]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.14
S298 (cal/mol*K) = 4.22
G298 (kcal/mol) = -32.39

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(623); H(25), C7H11(623); C7H10(1)+H(25)(+M)=>C7H11(623)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.187e+00 -2.194e+00 -4.849e-01 -1.227e-02 / CHEB/ 5.477e+00 1.750e+00 1.075e-01 -9.523e-02 / CHEB/ 2.241e-01 1.156e-01 1.675e-01 2.217e-02 / CHEB/ -4.649e-02 -2.108e-03 4.492e-02 2.393e-02 / CHEB/ -1.103e-02 5.099e-02 4.132e-03 1.470e-03 / CHEB/ -6.116e-03 3.627e-02 6.855e-03 -2.908e-03 /

4175.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.9	-12.6	-4.0	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-40.1	-12.7	-4.0	-0.0

Chebyshev(coeffs=[[-31.951,-0.20647,-0.127539,-0.0566741],[38.5195,0.110967,0.0622907,0.0216285],[-0.239899,0.0357774,0.021419,0.0088212],[-0.193579,-0.0146976,-0.00666046,-0.000686243],[-0.110298,-0.00212397,-0.00170208,-0.00108877],[-0.0569968,-0.00010258,-0.000486577,-0.000607227]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 124.13
S298 (cal/mol*K) = 55.89
G298 (kcal/mol) = 107.47

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(624); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(624)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.195e+01 -2.065e-01 -1.275e-01 -5.667e-02 / CHEB/ 3.852e+01 1.110e-01 6.229e-02 2.163e-02 / CHEB/ -2.399e-01 3.578e-02 2.142e-02 8.821e-03 / CHEB/ -1.936e-01 -1.470e-02 -6.660e-03 -6.862e-04 / CHEB/ -1.103e-01 -2.124e-03 -1.702e-03 -1.089e-03 / CHEB/ -5.700e-02 -1.026e-04 -4.866e-04 -6.072e-04 /

4176.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	+1.9	+5.1	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-8.9	+1.5	+4.9	+6.4

Chebyshev(coeffs=[[-1.40945,-1.02503,-0.241631,-0.0336506],[13.8285,0.597609,0.0114205,-0.024861],[0.107924,0.201932,0.0477992,-0.0139935],[-0.0752773,0.0174112,0.0344055,0.000681756],[-0.0554856,-0.0162875,0.0124645,0.00669608],[-0.023624,-0.0123843,-0.000860807,0.00473075]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.96
S298 (cal/mol*K) = -8.85
G298 (kcal/mol) = -37.32

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(625); H(25), C7H10(625); C7H9(5)+H(25)(+M)=>C7H10(625)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.409e+00 -1.025e+00 -2.416e-01 -3.365e-02 / CHEB/ 1.383e+01 5.976e-01 1.142e-02 -2.486e-02 / CHEB/ 1.079e-01 2.019e-01 4.780e-02 -1.399e-02 / CHEB/ -7.528e-02 1.741e-02 3.441e-02 6.818e-04 / CHEB/ -5.549e-02 -1.629e-02 1.246e-02 6.696e-03 / CHEB/ -2.362e-02 -1.238e-02 -8.608e-04 4.731e-03 /

4200.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	+0.8	+2.7	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.2	+2.1	+3.1

Chebyshev(coeffs=[[1.35346,-2.6497,-0.507486,0.00191329],[7.44001,1.78916,-0.0026678,-0.107658],[0.445324,0.332929,0.160621,-0.0185045],[0.0189957,0.102985,0.0793382,0.012426],[-0.0736271,0.028514,0.028663,0.0134436],[-0.0746534,-0.0100653,0.00783783,0.00803243]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.43
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = -19.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(626); H(25), C7H11(626); C7H10(1)+H(25)(+M)=>C7H11(626)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.353e+00 -2.650e+00 -5.075e-01 1.913e-03 / CHEB/ 7.440e+00 1.789e+00 -2.668e-03 -1.077e-01 / CHEB/ 4.453e-01 3.329e-01 1.606e-01 -1.850e-02 / CHEB/ 1.900e-02 1.030e-01 7.934e-02 1.243e-02 / CHEB/ -7.363e-02 2.851e-02 2.866e-02 1.344e-02 / CHEB/ -7.465e-02 -1.007e-02 7.838e-03 8.032e-03 /

4201.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-4.0	-0.1	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-4.6	-0.3	+1.6

Chebyshev(coeffs=[[-8.25347,-1.2221,-0.545886,-0.109343],[15.2795,0.700131,0.244418,0.00250212],[0.621269,0.22994,0.119866,0.0241165],[0.0787117,0.130375,0.0604272,0.0142964],[-0.0555932,0.0229021,0.0195383,0.0112072],[-0.0581927,-0.0215374,-0.00196997,0.0062931]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.48
S298 (cal/mol*K) = 32.13
G298 (kcal/mol) = 28.91

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(627); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(627)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.253e+00 -1.222e+00 -5.459e-01 -1.093e-01 / CHEB/ 1.528e+01 7.001e-01 2.444e-01 2.502e-03 / CHEB/ 6.213e-01 2.299e-01 1.199e-01 2.412e-02 / CHEB/ 7.871e-02 1.304e-01 6.043e-02 1.430e-02 / CHEB/ -5.559e-02 2.290e-02 1.954e-02 1.121e-02 / CHEB/ -5.819e-02 -2.154e-02 -1.970e-03 6.293e-03 /

4202.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-2.5	+0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-3.3	-0.3	+1.4

Chebyshev(coeffs=[[-2.6276,-2.33241,-0.884959,-0.102011],[9.0348,1.7381,0.511432,-0.0327878],[0.637333,0.363067,0.206115,0.0480703],[0.215979,0.103315,0.0591971,0.0182429],[0.0598408,-0.00509512,0.00417628,0.00698453],[0.00485233,-0.0407239,-0.0114229,0.00308572]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.91
S298 (cal/mol*K) = 12.37
G298 (kcal/mol) = -15.59

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(628); H(25), C7H11(628); C7H10(1)+H(25)(+M)=>C7H11(628)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.628e+00 -2.332e+00 -8.850e-01 -1.020e-01 / CHEB/ 9.035e+00 1.738e+00 5.114e-01 -3.279e-02 / CHEB/ 6.373e-01 3.631e-01 2.061e-01 4.807e-02 / CHEB/ 2.160e-01 1.033e-01 5.920e-02 1.824e-02 / CHEB/ 5.984e-02 -5.095e-03 4.176e-03 6.985e-03 / CHEB/ 4.852e-03 -4.072e-02 -1.142e-02 3.086e-03 /

4203.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-1.8	+0.9	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-2.6	+0.6	+2.2

Chebyshev(coeffs=[[-1.89059,-2.37116,-0.884967,-0.0950434],[9.08133,1.77402,0.510051,-0.0370708],[0.75211,0.350508,0.198565,0.0434224],[0.258881,0.0728456,0.0435536,0.0123461],[0.0444212,-0.0231226,-0.00592796,0.00340363],[-0.0407562,-0.0363321,-0.00917156,0.0038888]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.91
S298 (cal/mol*K) = 12.37
G298 (kcal/mol) = -15.59

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(629); H(25), C7H11(629); C7H10(1)+H(25)(+M)=>C7H11(629)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.891e+00 -2.371e+00 -8.850e-01 -9.504e-02 / CHEB/ 9.081e+00 1.774e+00 5.101e-01 -3.707e-02 / CHEB/ 7.521e-01 3.505e-01 1.986e-01 4.342e-02 / CHEB/ 2.589e-01 7.285e-02 4.355e-02 1.235e-02 / CHEB/ 4.442e-02 -2.312e-02 -5.928e-03 3.404e-03 / CHEB/ -4.076e-02 -3.633e-02 -9.172e-03 3.889e-03 /

4204.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-3.9	-0.3	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-4.5	-0.6	+1.5

Chebyshev(coeffs=[[-5.44904,-1.82251,-0.805507,-0.149294],[11.6615,1.28972,0.50198,0.0406987],[0.893487,0.341928,0.167628,0.0372841],[0.368535,0.0859974,0.036565,0.00495071],[0.0595264,-0.0404266,-0.0101034,0.00291558],[-0.0691687,-0.0454328,-0.0110143,0.00529868]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.41
S298 (cal/mol*K) = 11.64
G298 (kcal/mol) = -5.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(630); H(25), C7H11(630); C7H10(1)+H(25)(+M)=>C7H11(630)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.449e+00 -1.823e+00 -8.055e-01 -1.493e-01 / CHEB/ 1.166e+01 1.290e+00 5.020e-01 4.070e-02 / CHEB/ 8.935e-01 3.419e-01 1.676e-01 3.728e-02 / CHEB/ 3.685e-01 8.600e-02 3.657e-02 4.951e-03 / CHEB/ 5.953e-02 -4.043e-02 -1.010e-02 2.916e-03 / CHEB/ -6.917e-02 -4.543e-02 -1.101e-02 5.299e-03 /

4205.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+1.1	+1.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+0.6	+1.7	+1.9

Chebyshev(coeffs=[[3.80472,-2.13393,-0.670147,-0.033139],[3.38759,3.06083,-0.000254306,-0.0851929],[0.0550219,0.607172,0.29908,-0.00675926],[-0.173813,0.0946305,0.132952,0.016588],[-0.104719,-0.0167387,0.024143,0.015619],[-0.0340142,-0.0176803,-0.00954818,0.00759845]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.90
S298 (cal/mol*K) = 5.92
G298 (kcal/mol) = -24.66

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(549); H(25), C7H11(549); C7H10(1)+H(25)(+M)=>C7H11(549)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.805e+00 -2.134e+00 -6.701e-01 -3.314e-02 / CHEB/ 3.388e+00 3.061e+00 -2.543e-04 -8.519e-02 / CHEB/ 5.502e-02 6.072e-01 2.991e-01 -6.759e-03 / CHEB/ -1.738e-01 9.463e-02 1.330e-01 1.659e-02 / CHEB/ -1.047e-01 -1.674e-02 2.414e-02 1.562e-02 / CHEB/ -3.401e-02 -1.768e-02 -9.548e-03 7.598e-03 /

4206.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-0.8	+1.6	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-1.7	+1.1	+2.4

Chebyshev(coeffs=[[-1.07094,-2.35225,-0.542247,-0.0133172],[8.85139,1.65455,0.0806208,-0.100645],[0.660436,0.262863,0.171326,-0.00540705],[0.0513531,0.0989083,0.0716143,0.0184825],[-0.069432,0.0317933,0.0238086,0.0138356],[-0.070997,-0.0112205,0.00578781,0.0073275]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.59
S298 (cal/mol*K) = 8.94
G298 (kcal/mol) = -2.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(631); H(25), C7H11(631); C7H10(1)+H(25)(+M)=>C7H11(631)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.071e+00 -2.352e+00 -5.422e-01 -1.332e-02 / CHEB/ 8.851e+00 1.655e+00 8.062e-02 -1.006e-01 / CHEB/ 6.604e-01 2.629e-01 1.713e-01 -5.407e-03 / CHEB/ 5.135e-02 9.891e-02 7.161e-02 1.848e-02 / CHEB/ -6.943e-02 3.179e-02 2.381e-02 1.384e-02 / CHEB/ -7.100e-02 -1.122e-02 5.788e-03 7.327e-03 /

4207.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-3.9	-1.2	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-4.7	-1.6	-0.1

Chebyshev(coeffs=[[-5.23106,-1.97701,-0.591366,-0.0353268],[10.4862,1.33462,0.18646,-0.0830656],[0.679615,0.251652,0.1533,0.0087347],[0.0573611,0.112215,0.0643006,0.0197711],[-0.0683473,0.0334966,0.0238547,0.0120825],[-0.0664934,-0.0132846,0.00492628,0.0073719]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.79
S298 (cal/mol*K) = 8.52
G298 (kcal/mol) = 0.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(632); H(25), C7H11(632); C7H10(1)+H(25)(+M)=>C7H11(632)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.231e+00 -1.977e+00 -5.914e-01 -3.533e-02 / CHEB/ 1.049e+01 1.335e+00 1.865e-01 -8.307e-02 / CHEB/ 6.796e-01 2.517e-01 1.533e-01 8.735e-03 / CHEB/ 5.736e-02 1.122e-01 6.430e-02 1.977e-02 / CHEB/ -6.835e-02 3.350e-02 2.385e-02 1.208e-02 / CHEB/ -6.649e-02 -1.328e-02 4.926e-03 7.372e-03 /

4208.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.9	-6.1	-0.9	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-23.3	-6.4	-1.1	+1.4

Chebyshev(coeffs=[[-15.8879,-0.578237,-0.332362,-0.125726],[23.564,0.230638,0.126106,0.0413192],[-0.0949569,0.157898,0.0855207,0.0272549],[-0.0842971,0.106906,0.0567705,0.017177],[-0.0830133,0.0132022,0.0115425,0.00794542],[-0.0588063,-0.0197868,-0.00710917,0.00124657]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.22
S298 (cal/mol*K) = 53.52
G298 (kcal/mol) = 58.27

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(633); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C3H5(98)+C4H6(633)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.589e+01 -5.782e-01 -3.324e-01 -1.257e-01 / CHEB/ 2.356e+01 2.306e-01 1.261e-01 4.132e-02 / CHEB/ -9.496e-02 1.579e-01 8.552e-02 2.725e-02 / CHEB/ -8.430e-02 1.069e-01 5.677e-02 1.718e-02 / CHEB/ -8.301e-02 1.320e-02 1.154e-02 7.945e-03 / CHEB/ -5.881e-02 -1.979e-02 -7.109e-03 1.247e-03 /

4209.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.9	-11.7	-5.3	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-32.2	-12.0	-5.4	-2.3

Chebyshev(coeffs=[[-24.5444,-0.421388,-0.255773,-0.109462],[28.433,0.160276,0.0953105,0.0387252],[-0.0376131,0.123016,0.0703355,0.0260429],[-0.0719228,0.0848993,0.0483578,0.0177384],[-0.0736864,0.00812827,0.00762548,0.00574209],[-0.0516223,-0.0172901,-0.00771555,-0.000723583]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.19
S298 (cal/mol*K) = 43.51
G298 (kcal/mol) = 76.23

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(634); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(634)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.454e+01 -4.214e-01 -2.558e-01 -1.095e-01 / CHEB/ 2.843e+01 1.603e-01 9.531e-02 3.873e-02 / CHEB/ -3.761e-02 1.230e-01 7.034e-02 2.604e-02 / CHEB/ -7.192e-02 8.490e-02 4.836e-02 1.774e-02 / CHEB/ -7.369e-02 8.128e-03 7.625e-03 5.742e-03 / CHEB/ -5.162e-02 -1.729e-02 -7.716e-03 -7.236e-04 /

4210.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.3	-11.1	-4.6	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-31.6	-11.3	-4.6	-1.6

Chebyshev(coeffs=[[-23.9156,-0.421388,-0.255773,-0.109462],[28.5451,0.160276,0.0953105,0.0387252],[-0.012871,0.123016,0.0703355,0.0260429],[-0.0646383,0.0848993,0.0483578,0.0177384],[-0.0712745,0.00812827,0.00762548,0.00574209],[-0.0507726,-0.0172901,-0.00771555,-0.000723583]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.19
S298 (cal/mol*K) = 43.51
G298 (kcal/mol) = 76.23

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(635); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(635)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.392e+01 -4.214e-01 -2.558e-01 -1.095e-01 / CHEB/ 2.855e+01 1.603e-01 9.531e-02 3.873e-02 / CHEB/ -1.287e-02 1.230e-01 7.034e-02 2.604e-02 / CHEB/ -6.464e-02 8.490e-02 4.836e-02 1.774e-02 / CHEB/ -7.127e-02 8.128e-03 7.625e-03 5.742e-03 / CHEB/ -5.077e-02 -1.729e-02 -7.716e-03 -7.236e-04 /

4211.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.7	-13.5	-6.3	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-35.9	-13.6	-6.4	-3.0

Chebyshev(coeffs=[[-28.0854,-0.340605,-0.212503,-0.096384],[31.3091,0.126735,0.0783093,0.0346892],[-0.0528309,0.102845,0.0607659,0.024389],[-0.0806258,0.0717615,0.0424558,0.0170934],[-0.0740186,0.00565915,0.00553132,0.00436021],[-0.0493445,-0.0154337,-0.00760506,-0.00156966]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.69
S298 (cal/mol*K) = 42.78
G298 (kcal/mol) = 85.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(636); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(636)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.809e+01 -3.406e-01 -2.125e-01 -9.638e-02 / CHEB/ 3.131e+01 1.267e-01 7.831e-02 3.469e-02 / CHEB/ -5.283e-02 1.028e-01 6.077e-02 2.439e-02 / CHEB/ -8.063e-02 7.176e-02 4.246e-02 1.709e-02 / CHEB/ -7.402e-02 5.659e-03 5.531e-03 4.360e-03 / CHEB/ -4.934e-02 -1.543e-02 -7.605e-03 -1.570e-03 /

4212.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.1	-10.5	-4.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-10.7	-4.2	-1.2

Chebyshev(coeffs=[[-23.8068,-0.379435,-0.233634,-0.1031],[29.0509,0.142677,0.086589,0.0368657],[-0.225247,0.112716,0.0655301,0.0252973],[-0.129197,0.0782245,0.0454386,0.0175064],[-0.0913453,0.00682568,0.00653615,0.00503921],[-0.0566485,-0.0163796,-0.00770293,-0.00118714]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.02
S298 (cal/mol*K) = 52.64
G298 (kcal/mol) = 77.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(637); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(637)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.381e+01 -3.794e-01 -2.336e-01 -1.031e-01 / CHEB/ 2.905e+01 1.427e-01 8.659e-02 3.687e-02 / CHEB/ -2.252e-01 1.127e-01 6.553e-02 2.530e-02 / CHEB/ -1.292e-01 7.822e-02 4.544e-02 1.751e-02 / CHEB/ -9.135e-02 6.826e-03 6.536e-03 5.039e-03 / CHEB/ -5.665e-02 -1.638e-02 -7.703e-03 -1.187e-03 /

4213.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.2	-9.7	-3.8	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-28.6	-10.0	-3.9	-1.0

Chebyshev(coeffs=[[-20.8297,-0.536908,-0.312093,-0.121582],[25.7954,0.225779,0.124474,0.0422087],[0.140173,0.143057,0.0796114,0.0273121],[-0.0341369,0.0998891,0.0542861,0.0175969],[-0.0781371,0.0108043,0.0100085,0.00726599],[-0.0541883,-0.0193289,-0.00757245,0.000472218]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.20
S298 (cal/mol*K) = 37.06
G298 (kcal/mol) = 67.16

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(638); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(638)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.083e+01 -5.369e-01 -3.121e-01 -1.216e-01 / CHEB/ 2.580e+01 2.258e-01 1.245e-01 4.221e-02 / CHEB/ 1.402e-01 1.431e-01 7.961e-02 2.731e-02 / CHEB/ -3.414e-02 9.989e-02 5.429e-02 1.760e-02 / CHEB/ -7.814e-02 1.080e-02 1.001e-02 7.266e-03 / CHEB/ -5.419e-02 -1.933e-02 -7.572e-03 4.722e-04 /

4214.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.8	-14.9	-7.5	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-38.1	-15.1	-7.6	-4.1

Chebyshev(coeffs=[[-30.158,-0.318419,-0.20015,-0.0921777],[32.3009,0.117761,0.0734884,0.0332505],[-0.033644,0.0970608,0.0578982,0.0237617],[-0.0763663,0.0679427,0.0406221,0.0167607],[-0.0718593,0.00501226,0.0049625,0.00396369],[-0.0478438,-0.0148456,-0.00750738,-0.00176322]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.69
S298 (cal/mol*K) = 40.08
G298 (kcal/mol) = 89.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(639); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(639)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.016e+01 -3.184e-01 -2.002e-01 -9.218e-02 / CHEB/ 3.230e+01 1.178e-01 7.349e-02 3.325e-02 / CHEB/ -3.364e-02 9.706e-02 5.790e-02 2.376e-02 / CHEB/ -7.637e-02 6.794e-02 4.062e-02 1.676e-02 / CHEB/ -7.186e-02 5.012e-03 4.962e-03 3.964e-03 / CHEB/ -4.784e-02 -1.485e-02 -7.507e-03 -1.763e-03 /

4215.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.8	-14.4	-6.8	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-38.0	-14.5	-6.9	-3.2

Chebyshev(coeffs=[[-30.0517,-0.30321,-0.191564,-0.0891361],[33.008,0.111653,0.0701407,0.0321813],[-0.0210099,0.0930435,0.0558722,0.0232826],[-0.0735884,0.0652701,0.0393076,0.0164881],[-0.0704149,0.00457783,0.00457605,0.00368961],[-0.0468002,-0.0144214,-0.0074213,-0.00188364]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.89
S298 (cal/mol*K) = 39.66
G298 (kcal/mol) = 92.08

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(640); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(640)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.005e+01 -3.032e-01 -1.916e-01 -8.914e-02 / CHEB/ 3.301e+01 1.117e-01 7.014e-02 3.218e-02 / CHEB/ -2.101e-02 9.304e-02 5.587e-02 2.328e-02 / CHEB/ -7.359e-02 6.527e-02 3.931e-02 1.649e-02 / CHEB/ -7.041e-02 4.578e-03 4.576e-03 3.690e-03 / CHEB/ -4.680e-02 -1.442e-02 -7.421e-03 -1.884e-03 /

4216.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.9	-8.5	-2.6	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-27.3	-8.8	-2.8	-0.0

Chebyshev(coeffs=[[-19.7558,-0.555924,-0.286545,-0.0840779],[26.0309,0.243187,0.105052,0.0115596],[-0.11199,0.15997,0.0789346,0.0198609],[-0.0629594,0.093556,0.0489738,0.0156394],[-0.0654693,0.00695518,0.0112786,0.00981622],[-0.0505342,-0.0200624,-0.00542962,0.00250064]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.18
S298 (cal/mol*K) = 51.01
G298 (kcal/mol) = 65.99

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(560); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(560)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.976e+01 -5.559e-01 -2.865e-01 -8.408e-02 / CHEB/ 2.603e+01 2.432e-01 1.051e-01 1.156e-02 / CHEB/ -1.120e-01 1.600e-01 7.893e-02 1.986e-02 / CHEB/ -6.296e-02 9.356e-02 4.897e-02 1.564e-02 / CHEB/ -6.547e-02 6.955e-03 1.128e-02 9.816e-03 / CHEB/ -5.053e-02 -2.006e-02 -5.430e-03 2.501e-03 /

4217.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.1	-13.2	-5.7	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-37.3	-13.4	-5.7	-2.2

Chebyshev(coeffs=[[-29.3909,-0.275358,-0.17559,-0.0832274],[33.626,0.100574,0.0639322,0.0300547],[-0.162977,0.0855601,0.0520205,0.0222904],[-0.117191,0.0602554,0.0367726,0.015888],[-0.0838274,0.00380337,0.00387839,0.00318555],[-0.0504745,-0.0135973,-0.00721999,-0.00207512]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.32
S298 (cal/mol*K) = 51.54
G298 (kcal/mol) = 82.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(641); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(641)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.939e+01 -2.754e-01 -1.756e-01 -8.323e-02 / CHEB/ 3.363e+01 1.006e-01 6.393e-02 3.005e-02 / CHEB/ -1.630e-01 8.556e-02 5.202e-02 2.229e-02 / CHEB/ -1.172e-01 6.026e-02 3.677e-02 1.589e-02 / CHEB/ -8.383e-02 3.803e-03 3.878e-03 3.186e-03 / CHEB/ -5.047e-02 -1.360e-02 -7.220e-03 -2.075e-03 /

4218.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.1	-15.9	-8.3	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-39.3	-16.0	-8.4	-4.8

Chebyshev(coeffs=[[-31.3863,-0.307202,-0.193761,-0.0898547],[32.7542,0.116744,0.0730886,0.0332976],[0.00260386,0.0940915,0.056457,0.0234873],[-0.0617877,0.065154,0.0392083,0.016421],[-0.0619625,0.00395789,0.00426723,0.00362045],[-0.0447057,-0.0147988,-0.00761672,-0.00193641]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 102.89
S298 (cal/mol*K) = 36.74
G298 (kcal/mol) = 91.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(642); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(642)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.139e+01 -3.072e-01 -1.938e-01 -8.985e-02 / CHEB/ 3.275e+01 1.167e-01 7.309e-02 3.330e-02 / CHEB/ 2.604e-03 9.409e-02 5.646e-02 2.349e-02 / CHEB/ -6.179e-02 6.515e-02 3.921e-02 1.642e-02 / CHEB/ -6.196e-02 3.958e-03 4.267e-03 3.620e-03 / CHEB/ -4.471e-02 -1.480e-02 -7.617e-03 -1.936e-03 /

4229.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-9.5	-4.4	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-9.7	-4.5	-1.7

Chebyshev(coeffs=[[-16.5151,-0.251244,-0.143848,-0.0569516],[20.2275,0.0635024,0.0347215,0.0139953],[0.336182,0.0637722,0.0300049,0.00584266],[0.166802,0.0620001,0.0329354,0.00998746],[0.0807264,0.0235806,0.0154638,0.00699754],[0.032341,-0.0051318,-0.000499747,0.00172413]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.67
S298 (cal/mol*K) = 18.32
G298 (kcal/mol) = 52.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(643); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(643)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.652e+01 -2.512e-01 -1.438e-01 -5.695e-02 / CHEB/ 2.023e+01 6.350e-02 3.472e-02 1.400e-02 / CHEB/ 3.362e-01 6.377e-02 3.000e-02 5.843e-03 / CHEB/ 1.668e-01 6.200e-02 3.294e-02 9.987e-03 / CHEB/ 8.073e-02 2.358e-02 1.546e-02 6.998e-03 / CHEB/ 3.234e-02 -5.132e-03 -4.997e-04 1.724e-03 /

4230.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-2.3	+0.0	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-2.7	-0.2	+1.2

Chebyshev(coeffs=[[-2.16812,-0.844725,-0.356023,-0.0662306],[8.84214,0.46754,0.148899,-0.00279017],[0.362714,0.10574,0.0538951,0.0127524],[0.0985451,0.100098,0.0442284,0.0076338],[0.0223564,0.0573399,0.0255692,0.00406378],[-0.00164398,0.0056267,0.00619304,0.00293365]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.12
S298 (cal/mol*K) = -2.93
G298 (kcal/mol) = -13.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(644); H(25), C7H11(644); C7H10(1)+H(25)(+M)=>C7H11(644)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.168e+00 -8.447e-01 -3.560e-01 -6.623e-02 / CHEB/ 8.842e+00 4.675e-01 1.489e-01 -2.790e-03 / CHEB/ 3.627e-01 1.057e-01 5.390e-02 1.275e-02 / CHEB/ 9.855e-02 1.001e-01 4.423e-02 7.634e-03 / CHEB/ 2.236e-02 5.734e-02 2.557e-02 4.064e-03 / CHEB/ -1.644e-03 5.627e-03 6.193e-03 2.934e-03 /

4231.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-1.8	+0.6	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-2.2	+0.4	+1.9

Chebyshev(coeffs=[[-1.6231,-0.86322,-0.354107,-0.0621207],[8.82012,0.51114,0.153243,-0.00738918],[0.493461,0.0981879,0.0562239,0.0151158],[0.13027,0.0970751,0.0436876,0.00826937],[0.035094,0.0564526,0.0250274,0.00405058],[0.00481386,0.00441884,0.0057873,0.002958]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.12
S298 (cal/mol*K) = -3.66
G298 (kcal/mol) = -19.03

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(645); H(25), C7H11(645); C7H10(1)+H(25)(+M)=>C7H11(645)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.623e+00 -8.632e-01 -3.541e-01 -6.212e-02 / CHEB/ 8.820e+00 5.111e-01 1.532e-01 -7.389e-03 / CHEB/ 4.935e-01 9.819e-02 5.622e-02 1.512e-02 / CHEB/ 1.303e-01 9.708e-02 4.369e-02 8.269e-03 / CHEB/ 3.509e-02 5.645e-02 2.503e-02 4.051e-03 / CHEB/ 4.814e-03 4.419e-03 5.787e-03 2.958e-03 /

4232.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+1.7	+2.5	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+0.7	+2.1	+2.6

Chebyshev(coeffs=[[4.27017,-2.98856,-0.621841,0.0766793],[4.26289,2.34512,0.164281,-0.230438],[0.208089,0.390599,0.238996,0.0491206],[-0.0466888,0.0326886,0.0401229,0.0160064],[-0.0457134,-0.0317558,0.00667385,0.00491301],[-0.0241414,-0.0299976,0.00408191,0.00929219]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.42
S298 (cal/mol*K) = -5.04
G298 (kcal/mol) = -18.92

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(646); H(25), C7H11(646); C7H10(1)+H(25)(+M)=>C7H11(646)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.270e+00 -2.989e+00 -6.218e-01 7.668e-02 / CHEB/ 4.263e+00 2.345e+00 1.643e-01 -2.304e-01 / CHEB/ 2.081e-01 3.906e-01 2.390e-01 4.912e-02 / CHEB/ -4.669e-02 3.269e-02 4.012e-02 1.601e-02 / CHEB/ -4.571e-02 -3.176e-02 6.674e-03 4.913e-03 / CHEB/ -2.414e-02 -3.000e-02 4.082e-03 9.292e-03 /

4233.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.1	-13.1	-6.3	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-33.2	-13.2	-6.3	-2.8

Chebyshev(coeffs=[[-25.4942,-0.120666,-0.0735627,-0.0320401],[28.465,0.0139797,0.00680022,0.0013376],[0.10098,0.0305042,0.0150785,0.00335431],[0.088968,0.0277946,0.0167331,0.00709336],[0.0486435,0.0110313,0.00859003,0.00534869],[0.0170053,-0.000268035,0.000948313,0.00136967]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.88
S298 (cal/mol*K) = 29.00
G298 (kcal/mol) = 80.24

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(647); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(647)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.549e+01 -1.207e-01 -7.356e-02 -3.204e-02 / CHEB/ 2.846e+01 1.398e-02 6.800e-03 1.338e-03 / CHEB/ 1.010e-01 3.050e-02 1.508e-02 3.354e-03 / CHEB/ 8.897e-02 2.779e-02 1.673e-02 7.093e-03 / CHEB/ 4.864e-02 1.103e-02 8.590e-03 5.349e-03 / CHEB/ 1.701e-02 -2.680e-04 9.483e-04 1.370e-03 /

4234.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.1	-13.3	-6.5	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-33.2	-13.4	-6.6	-3.0

Chebyshev(coeffs=[[-25.4983,-0.123615,-0.0751758,-0.0325879],[28.1987,0.014609,0.00712539,0.00143653],[0.103388,0.0315047,0.0155247,0.00341204],[0.0899014,0.0286292,0.0171762,0.00722699],[0.0491588,0.0112917,0.00877887,0.00544614],[0.0174118,-0.000390904,0.000913331,0.00138421]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.28
S298 (cal/mol*K) = 26.89
G298 (kcal/mol) = 80.26

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(648); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(648)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.550e+01 -1.236e-01 -7.518e-02 -3.259e-02 / CHEB/ 2.820e+01 1.461e-02 7.125e-03 1.437e-03 / CHEB/ 1.034e-01 3.150e-02 1.552e-02 3.412e-03 / CHEB/ 8.990e-02 2.863e-02 1.718e-02 7.227e-03 / CHEB/ 4.916e-02 1.129e-02 8.779e-03 5.446e-03 / CHEB/ 1.741e-02 -3.909e-04 9.133e-04 1.384e-03 /

4235.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.7	-12.1	-5.8	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-30.8	-12.2	-5.8	-2.5

Chebyshev(coeffs=[[-23.2363,-0.143408,-0.0859268,-0.0362131],[26.4915,0.0188137,0.00932488,0.00217524],[0.103627,0.0379993,0.0183855,0.00376483],[0.0919315,0.0343933,0.0201707,0.00806397],[0.0513063,0.0132191,0.0100883,0.00604517],[0.0194538,-0.00118527,0.000696396,0.00148167]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.88
S298 (cal/mol*K) = 28.27
G298 (kcal/mol) = 74.45

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(649); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(649)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.324e+01 -1.434e-01 -8.593e-02 -3.621e-02 / CHEB/ 2.649e+01 1.881e-02 9.325e-03 2.175e-03 / CHEB/ 1.036e-01 3.800e-02 1.839e-02 3.765e-03 / CHEB/ 9.193e-02 3.439e-02 2.017e-02 8.064e-03 / CHEB/ 5.131e-02 1.322e-02 1.009e-02 6.045e-03 / CHEB/ 1.945e-02 -1.185e-03 6.964e-04 1.482e-03 /

4236.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.9	-12.4	-6.0	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-31.0	-12.5	-6.1	-2.7

Chebyshev(coeffs=[[-23.4269,-0.144271,-0.0863934,-0.0363692],[26.42,0.0186864,0.00924954,0.00214905],[0.0943603,0.0383615,0.0185506,0.00379238],[0.092158,0.0348428,0.0204009,0.00812604],[0.0527614,0.0133419,0.010164,0.00607368],[0.0194558,-0.00125892,0.000670266,0.0014835]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.58
S298 (cal/mol*K) = 26.89
G298 (kcal/mol) = 74.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(186); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.343e+01 -1.443e-01 -8.639e-02 -3.637e-02 / CHEB/ 2.642e+01 1.869e-02 9.250e-03 2.149e-03 / CHEB/ 9.436e-02 3.836e-02 1.855e-02 3.792e-03 / CHEB/ 9.216e-02 3.484e-02 2.040e-02 8.126e-03 / CHEB/ 5.276e-02 1.334e-02 1.016e-02 6.074e-03 / CHEB/ 1.946e-02 -1.259e-03 6.703e-04 1.484e-03 /

4237.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.0	-16.7	-9.3	-5.5
log₁₀(k(10 bar)/[mole,m,s])	-38.0	-16.8	-9.4	-5.5

Chebyshev(coeffs=[[-30.0946,-0.105642,-0.0652165,-0.0291088],[30.13,0.0136873,0.00687585,0.00156815],[0.236922,0.0254811,0.0128627,0.00311266],[0.124578,0.0228536,0.0140826,0.00626968],[0.0577556,0.00920073,0.00731379,0.00470225],[0.0193485,0.000173755,0.000996653,0.00122051]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.58
S298 (cal/mol*K) = 17.87
G298 (kcal/mol) = 88.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(650); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(650)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.009e+01 -1.056e-01 -6.522e-02 -2.911e-02 / CHEB/ 3.013e+01 1.369e-02 6.876e-03 1.568e-03 / CHEB/ 2.369e-01 2.548e-02 1.286e-02 3.113e-03 / CHEB/ 1.246e-01 2.285e-02 1.408e-02 6.270e-03 / CHEB/ 5.776e-02 9.201e-03 7.314e-03 4.702e-03 / CHEB/ 1.935e-02 1.738e-04 9.967e-04 1.221e-03 /

4275.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+1.4	+3.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-6.8	+0.6	+3.0	+4.1

Chebyshev(coeffs=[[1.2865,-2.03583,-0.277489,0.016009],[8.61495,1.16967,-0.1626,-0.10974],[0.36622,0.436272,0.09982,-0.0304551],[-0.0866212,0.0320485,0.0723688,0.0132796],[-0.0400501,-0.0406436,0.0188177,0.0120721],[0.00841727,-0.0178764,-0.00150526,0.00236888]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.38
S298 (cal/mol*K) = 28.25
G298 (kcal/mol) = 12.96

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H7(651); H(25), CH3(423); C7H9(5)+H(25)(+M)=>CH3(423)+C6H7(651)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.287e+00 -2.036e+00 -2.775e-01 1.601e-02 / CHEB/ 8.615e+00 1.170e+00 -1.626e-01 -1.097e-01 / CHEB/ 3.662e-01 4.363e-01 9.982e-02 -3.046e-02 / CHEB/ -8.662e-02 3.205e-02 7.237e-02 1.328e-02 / CHEB/ -4.005e-02 -4.064e-02 1.882e-02 1.207e-02 / CHEB/ 8.417e-03 -1.788e-02 -1.505e-03 2.369e-03 /

4276.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+2.6	+4.1	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+1.7	+3.6	+4.5

Chebyshev(coeffs=[[3.3661,-2.06763,-0.248444,0.0188211],[7.06508,1.1284,-0.202153,-0.104657],[0.267571,0.461312,0.0926726,-0.0385497],[-0.140462,0.0517418,0.0762347,0.012699],[-0.0607128,-0.033761,0.0216729,0.0126478],[0.00488756,-0.016702,-0.000356105,0.00139445]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.94
S298 (cal/mol*K) = 32.64
G298 (kcal/mol) = 7.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H5(652); H(25), C2H5(419); C7H9(5)+H(25)(+M)=>C2H5(419)+C5H5(652)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.366e+00 -2.068e+00 -2.484e-01 1.882e-02 / CHEB/ 7.065e+00 1.128e+00 -2.022e-01 -1.047e-01 / CHEB/ 2.676e-01 4.613e-01 9.267e-02 -3.855e-02 / CHEB/ -1.405e-01 5.174e-02 7.623e-02 1.270e-02 / CHEB/ -6.071e-02 -3.376e-02 2.167e-02 1.265e-02 / CHEB/ 4.888e-03 -1.670e-02 -3.561e-04 1.394e-03 /

4277.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-0.5	+2.0	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-1.2	+1.6	+2.9

Chebyshev(coeffs=[[-1.37544,-1.99555,-0.305611,0.0108996],[9.97387,1.20261,-0.122622,-0.110436],[0.41453,0.407518,0.106679,-0.0246159],[-0.0491109,0.0124196,0.0680901,0.0141393],[-0.0253779,-0.0459599,0.0151973,0.0123171],[0.00905187,-0.0178542,-0.00284806,0.00316229]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.14
S298 (cal/mol*K) = 20.36
G298 (kcal/mol) = 20.07

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(653); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(653)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.375e+00 -1.996e+00 -3.056e-01 1.090e-02 / CHEB/ 9.974e+00 1.203e+00 -1.226e-01 -1.104e-01 / CHEB/ 4.145e-01 4.075e-01 1.067e-01 -2.462e-02 / CHEB/ -4.911e-02 1.242e-02 6.809e-02 1.414e-02 / CHEB/ -2.538e-02 -4.596e-02 1.520e-02 1.232e-02 / CHEB/ 9.052e-03 -1.785e-02 -2.848e-03 3.162e-03 /

4278.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-1.1	+2.0	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-1.6	+1.8	+3.3

Chebyshev(coeffs=[[-4.24029,-1.7431,-0.40959,-0.0038244],[13.4417,1.19651,0.0444297,-0.114489],[0.204885,0.287086,0.120735,-0.00353923],[-0.0489321,-0.0468087,0.0430725,0.0225428],[-0.025379,-0.0516607,-0.00166435,0.0124588],[-0.0113475,-0.00955156,-0.00659504,0.00174345]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.28
S298 (cal/mol*K) = 35.59
G298 (kcal/mol) = 29.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(654); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C2H3(100)+C5H7(654)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.240e+00 -1.743e+00 -4.096e-01 -3.824e-03 / CHEB/ 1.344e+01 1.197e+00 4.443e-02 -1.145e-01 / CHEB/ 2.049e-01 2.871e-01 1.207e-01 -3.539e-03 / CHEB/ -4.893e-02 -4.681e-02 4.307e-02 2.254e-02 / CHEB/ -2.538e-02 -5.166e-02 -1.664e-03 1.246e-02 / CHEB/ -1.135e-02 -9.552e-03 -6.595e-03 1.743e-03 /

4279.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-1.7	+1.3	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-2.4	+1.0	+2.6

Chebyshev(coeffs=[[-4.11064,-1.87009,-0.366084,0.00191949],[12.3325,1.22771,-0.0298512,-0.112427],[0.376005,0.337671,0.118248,-0.0134739],[-0.0192677,-0.0254763,0.0554929,0.0184956],[-0.0137855,-0.0518634,0.0055818,0.0132584],[0.00163167,-0.0143156,-0.00555286,0.00313239]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.08
S298 (cal/mol*K) = 22.11
G298 (kcal/mol) = 28.49

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(655); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(655)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.111e+00 -1.870e+00 -3.661e-01 1.919e-03 / CHEB/ 1.233e+01 1.228e+00 -2.985e-02 -1.124e-01 / CHEB/ 3.760e-01 3.377e-01 1.182e-01 -1.347e-02 / CHEB/ -1.927e-02 -2.548e-02 5.549e-02 1.850e-02 / CHEB/ -1.379e-02 -5.186e-02 5.582e-03 1.326e-02 / CHEB/ 1.632e-03 -1.432e-02 -5.553e-03 3.132e-03 /

4280.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-6.1	-1.7	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-6.5	-1.9	+0.4

Chebyshev(coeffs=[[-12.6275,-1.33889,-0.479886,-0.0455104],[18.7709,0.976191,0.210329,-0.0773924],[0.276657,0.177441,0.10209,0.0202613],[-0.0101102,-0.0732874,0.00672637,0.0237704],[-0.0255919,-0.0374416,-0.0132691,0.00436631],[-0.0292969,0.00336889,-0.00342553,-0.00208994]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.00
S298 (cal/mol*K) = 21.60
G298 (kcal/mol) = 51.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(656); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(656)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.263e+01 -1.339e+00 -4.799e-01 -4.551e-02 / CHEB/ 1.877e+01 9.762e-01 2.103e-01 -7.739e-02 / CHEB/ 2.767e-01 1.774e-01 1.021e-01 2.026e-02 / CHEB/ -1.011e-02 -7.329e-02 6.726e-03 2.377e-02 / CHEB/ -2.559e-02 -3.744e-02 -1.327e-02 4.366e-03 / CHEB/ -2.930e-02 3.369e-03 -3.426e-03 -2.090e-03 /

4281.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+2.5	+4.2	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+1.6	+3.6	+4.6

Chebyshev(coeffs=[[3.98983,-2.11237,-0.188357,0.0076945],[6.21676,1.01622,-0.276443,-0.06694],[0.555975,0.506249,0.0700687,-0.0637288],[-0.107355,0.0903298,0.085911,0.00818249],[-0.0554776,-0.0150431,0.0263301,0.017129],[0.011307,-0.00992021,0.000498919,0.000731109]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.35
S298 (cal/mol*K) = 2.57
G298 (kcal/mol) = 2.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(657); H(25), C7H10(657); C7H9(5)+H(25)(+M)=>C7H10(657)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.990e+00 -2.112e+00 -1.884e-01 7.695e-03 / CHEB/ 6.217e+00 1.016e+00 -2.764e-01 -6.694e-02 / CHEB/ 5.560e-01 5.062e-01 7.007e-02 -6.373e-02 / CHEB/ -1.074e-01 9.033e-02 8.591e-02 8.182e-03 / CHEB/ -5.548e-02 -1.504e-02 2.633e-02 1.713e-02 / CHEB/ 1.131e-02 -9.920e-03 4.989e-04 7.311e-04 /

4282.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-6.7	-3.0	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-19.1	-7.2	-3.3	-1.4

Chebyshev(coeffs=[[-11.209,-1.60293,-0.445167,-0.0140614],[15.5674,1.13392,0.113525,-0.10932],[0.276252,0.242791,0.117718,0.00633885],[-0.0158372,-0.0613329,0.0297034,0.0250103],[-0.0182498,-0.0482366,-0.0075949,0.0102279],[-0.0166546,-0.00436149,-0.00637501,4.3843e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.92
S298 (cal/mol*K) = 3.38
G298 (kcal/mol) = 26.92

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(658); H(25), C7H10(658); C7H9(5)+H(25)(+M)=>C7H10(658)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.121e+01 -1.603e+00 -4.452e-01 -1.406e-02 / CHEB/ 1.557e+01 1.134e+00 1.135e-01 -1.093e-01 / CHEB/ 2.763e-01 2.428e-01 1.177e-01 6.339e-03 / CHEB/ -1.584e-02 -6.133e-02 2.970e-02 2.501e-02 / CHEB/ -1.825e-02 -4.824e-02 -7.595e-03 1.023e-02 / CHEB/ -1.665e-02 -4.361e-03 -6.375e-03 4.384e-05 /

4283.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-3.4	-1.0	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-4.2	-1.4	-0.1

Chebyshev(coeffs=[[-3.96465,-2.03158,-0.279073,0.0155576],[9.3929,1.17417,-0.159763,-0.109894],[0.547734,0.434278,0.101192,-0.0298055],[-0.042011,0.0296662,0.0721318,0.0135282],[-0.0347425,-0.0413306,0.018463,0.0120872],[-0.0147946,-0.0175853,-0.0017654,0.00238176]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.26
S298 (cal/mol*K) = -1.26
G298 (kcal/mol) = 12.64

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(425); H(25), C7H10(425); C7H9(5)+H(25)(+M)=>C7H10(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.965e+00 -2.032e+00 -2.791e-01 1.556e-02 / CHEB/ 9.393e+00 1.174e+00 -1.598e-01 -1.099e-01 / CHEB/ 5.477e-01 4.343e-01 1.012e-01 -2.981e-02 / CHEB/ -4.201e-02 2.967e-02 7.213e-02 1.353e-02 / CHEB/ -3.474e-02 -4.133e-02 1.846e-02 1.209e-02 / CHEB/ -1.479e-02 -1.759e-02 -1.765e-03 2.382e-03 /

4284.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+0.2	+1.7	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-0.8	+1.1	+1.9

Chebyshev(coeffs=[[2.10829,-2.12204,-0.171232,-0.00148807],[5.49141,0.963173,-0.292853,-0.0458029],[0.5531,0.521803,0.0545762,-0.0729967],[-0.123844,0.103836,0.0902357,0.00382775],[-0.0626254,-0.00692517,0.0287502,0.0193586],[0.00920072,-0.00579666,6.39386e-05,0.00154359]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.35
S298 (cal/mol*K) = 2.57
G298 (kcal/mol) = 2.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(659); H(25), C7H10(659); C7H9(5)+H(25)(+M)=>C7H10(659)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.108e+00 -2.122e+00 -1.712e-01 -1.488e-03 / CHEB/ 5.491e+00 9.632e-01 -2.929e-01 -4.580e-02 / CHEB/ 5.531e-01 5.218e-01 5.458e-02 -7.300e-02 / CHEB/ -1.238e-01 1.038e-01 9.024e-02 3.828e-03 / CHEB/ -6.263e-02 -6.925e-03 2.875e-02 1.936e-02 / CHEB/ 9.201e-03 -5.797e-03 6.394e-05 1.544e-03 /

4285.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-4.7	-2.0	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-5.5	-2.4	-0.9

Chebyshev(coeffs=[[-6.3621,-1.94688,-0.332352,0.00623729],[11.0918,1.2229,-0.0828529,-0.110629],[0.414703,0.377162,0.112667,-0.019833],[-0.0290217,-0.00546758,0.0631466,0.0156621],[-0.0173922,-0.049505,0.0111259,0.0128616],[0.00696323,-0.0168098,-0.00415012,0.00347566]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.66
S298 (cal/mol*K) = -0.58
G298 (kcal/mol) = 23.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(427); H(25), C7H10(427); C7H9(5)+H(25)(+M)=>C7H10(427)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.362e+00 -1.947e+00 -3.324e-01 6.237e-03 / CHEB/ 1.109e+01 1.223e+00 -8.285e-02 -1.106e-01 / CHEB/ 4.147e-01 3.772e-01 1.127e-01 -1.983e-02 / CHEB/ -2.902e-02 -5.468e-03 6.315e-02 1.566e-02 / CHEB/ -1.739e-02 -4.951e-02 1.113e-02 1.286e-02 / CHEB/ 6.963e-03 -1.681e-02 -4.150e-03 3.476e-03 /

4286.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+1.2	+2.4	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-4.7	+0.1	+1.8	+2.5

Chebyshev(coeffs=[[3.49068,-2.12727,-0.163039,-0.00766494],[4.79648,0.927183,-0.298278,-0.0322348],[0.489436,0.530396,0.0422218,-0.0776657],[-0.149509,0.112726,0.0926584,7.85529e-05],[-0.0723544,-0.00152104,0.0308563,0.0206408],[0.00574571,-0.00275748,-0.000332791,0.0024106]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.70
S298 (cal/mol*K) = 4.28
G298 (kcal/mol) = -0.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(660); H(25), C7H10(660); C7H9(5)+H(25)(+M)=>C7H10(660)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.491e+00 -2.127e+00 -1.630e-01 -7.665e-03 / CHEB/ 4.796e+00 9.272e-01 -2.983e-01 -3.223e-02 / CHEB/ 4.894e-01 5.304e-01 4.222e-02 -7.767e-02 / CHEB/ -1.495e-01 1.127e-01 9.266e-02 7.855e-05 / CHEB/ -7.235e-02 -1.521e-03 3.086e-02 2.064e-02 / CHEB/ 5.746e-03 -2.757e-03 -3.328e-04 2.411e-03 /

4287.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-2.6	-0.3	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-3.4	-0.7	+0.6

Chebyshev(coeffs=[[-3.39455,-2.00603,-0.298962,0.0121668],[9.70083,1.1957,-0.132236,-0.110433],[0.414823,0.414682,0.105081,-0.0258759],[-0.054397,0.0170375,0.0691746,0.0138768],[-0.0275905,-0.0448419,0.0161249,0.0122085],[0.00941642,-0.0179635,-0.00252005,0.00300883]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.60
S298 (cal/mol*K) = 3.88
G298 (kcal/mol) = 17.45

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(661); H(25), C7H10(661); C7H9(5)+H(25)(+M)=>C7H10(661)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.395e+00 -2.006e+00 -2.990e-01 1.217e-02 / CHEB/ 9.701e+00 1.196e+00 -1.322e-01 -1.104e-01 / CHEB/ 4.148e-01 4.147e-01 1.051e-01 -2.588e-02 / CHEB/ -5.440e-02 1.704e-02 6.917e-02 1.388e-02 / CHEB/ -2.759e-02 -4.484e-02 1.612e-02 1.221e-02 / CHEB/ 9.416e-03 -1.796e-02 -2.520e-03 3.009e-03 /

4288.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.6	-5.4	-1.5	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-5.8	-1.7	+0.2

Chebyshev(coeffs=[[-11.0482,-1.41009,-0.47477,-0.0358869],[17.2599,1.02247,0.188698,-0.0883495],[0.133791,0.193074,0.107319,0.0171517],[-0.052061,-0.0716182,0.0124416,0.0248328],[-0.036957,-0.0406159,-0.012446,0.00601003],[-0.0311308,0.00159761,-0.00440836,-0.00172912]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.10
S298 (cal/mol*K) = 28.19
G298 (kcal/mol) = 45.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(662); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(662)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.105e+01 -1.410e+00 -4.748e-01 -3.589e-02 / CHEB/ 1.726e+01 1.022e+00 1.887e-01 -8.835e-02 / CHEB/ 1.338e-01 1.931e-01 1.073e-01 1.715e-02 / CHEB/ -5.206e-02 -7.162e-02 1.244e-02 2.483e-02 / CHEB/ -3.696e-02 -4.062e-02 -1.245e-02 6.010e-03 / CHEB/ -3.113e-02 1.598e-03 -4.408e-03 -1.729e-03 /

4289.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+1.0	+2.3	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-4.8	-0.1	+1.7	+2.4

Chebyshev(coeffs=[[3.49376,-2.13671,-0.153705,-0.0168614],[4.62087,0.868737,-0.300097,-0.0122333],[0.571238,0.539624,0.0198615,-0.0821802],[-0.128575,0.128349,0.0946465,-0.00745637],[-0.0684254,0.0076325,0.0354112,0.0220918],[0.0068631,0.00274828,-0.000835547,0.0043023]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.49
S298 (cal/mol*K) = 8.73
G298 (kcal/mol) = -4.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(663); H(25), C7H10(663); C7H9(5)+H(25)(+M)=>C7H10(663)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.494e+00 -2.137e+00 -1.537e-01 -1.686e-02 / CHEB/ 4.621e+00 8.687e-01 -3.001e-01 -1.223e-02 / CHEB/ 5.712e-01 5.396e-01 1.986e-02 -8.218e-02 / CHEB/ -1.286e-01 1.283e-01 9.465e-02 -7.456e-03 / CHEB/ -6.843e-02 7.633e-03 3.541e-02 2.209e-02 / CHEB/ 6.863e-03 2.748e-03 -8.355e-04 4.302e-03 /

4290.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+3.1	+4.0	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+1.9	+3.2	+3.8

Chebyshev(coeffs=[[6.40574,-2.16705,-0.140209,-0.0322327],[3.27757,0.745618,-0.287032,0.021856],[0.435091,0.539303,-0.0295025,-0.0793986],[-0.131497,0.168945,0.0857573,-0.0275613],[-0.0732134,0.0326558,0.0489724,0.0200143],[-7.62148e-05,0.0160918,0.00173529,0.00987844]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -54.86
S298 (cal/mol*K) = -5.69
G298 (kcal/mol) = -53.17

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(664); H(25), C7H10(664); C7H9(5)+H(25)(+M)=>C7H10(664)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.406e+00 -2.167e+00 -1.402e-01 -3.223e-02 / CHEB/ 3.278e+00 7.456e-01 -2.870e-01 2.186e-02 / CHEB/ 4.351e-01 5.393e-01 -2.950e-02 -7.940e-02 / CHEB/ -1.315e-01 1.689e-01 8.576e-02 -2.756e-02 / CHEB/ -7.321e-02 3.266e-02 4.897e-02 2.001e-02 / CHEB/ -7.621e-05 1.609e-02 1.735e-03 9.878e-03 /

4291.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-0.5	+2.0	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-1.2	+1.7	+3.0

Chebyshev(coeffs=[[-1.82771,-1.95789,-0.326784,0.00711813],[10.5698,1.21978,-0.0912867,-0.110512],[0.350983,0.383625,0.111506,-0.0208192],[-0.0517324,-0.0018664,0.0642554,0.0152831],[-0.0251099,-0.0488937,0.0120095,0.0127483],[0.00529954,-0.0171037,-0.00388704,0.00345393]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.04
S298 (cal/mol*K) = 18.31
G298 (kcal/mol) = 17.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(665); H(25), C7H10(665); C7H9(5)+H(25)(+M)=>C7H10(665)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.828e+00 -1.958e+00 -3.268e-01 7.118e-03 / CHEB/ 1.057e+01 1.220e+00 -9.129e-02 -1.105e-01 / CHEB/ 3.510e-01 3.836e-01 1.115e-01 -2.082e-02 / CHEB/ -5.173e-02 -1.866e-03 6.426e-02 1.528e-02 / CHEB/ -2.511e-02 -4.889e-02 1.201e-02 1.275e-02 / CHEB/ 5.300e-03 -1.710e-02 -3.887e-03 3.454e-03 /

4292.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-2.3	+0.6	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-3.0	+0.2	+1.8

Chebyshev(coeffs=[[-4.38546,-1.90145,-0.353219,0.00340157],[11.8334,1.2288,-0.050468,-0.111556],[0.385131,0.352731,0.116444,-0.0160085],[-0.0240636,-0.0182248,0.0586064,0.0173276],[-0.0153547,-0.0512294,0.00772008,0.0131862],[0.00363735,-0.0154029,-0.00506523,0.00335431]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.31
S298 (cal/mol*K) = -0.50
G298 (kcal/mol) = 28.46

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(666); H(25), C7H10(666); C7H9(5)+H(25)(+M)=>C7H10(666)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.385e+00 -1.901e+00 -3.532e-01 3.402e-03 / CHEB/ 1.183e+01 1.229e+00 -5.047e-02 -1.116e-01 / CHEB/ 3.851e-01 3.527e-01 1.164e-01 -1.601e-02 / CHEB/ -2.406e-02 -1.822e-02 5.861e-02 1.733e-02 / CHEB/ -1.535e-02 -5.123e-02 7.720e-03 1.319e-02 / CHEB/ 3.637e-03 -1.540e-02 -5.065e-03 3.354e-03 /

4293.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+4.5	+5.0	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+3.2	+4.2	+4.5

Chebyshev(coeffs=[[8.35995,-2.21352,-0.132392,-0.0368592],[2.37541,0.638003,-0.275065,0.0402079],[0.212219,0.505626,-0.0598292,-0.0700698],[-0.173443,0.1877,0.0667094,-0.0397263],[-0.0886787,0.0565504,0.0536855,0.0120972],[-0.00458671,0.0325701,0.00708776,0.0114255]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -57.42
S298 (cal/mol*K) = -13.76
G298 (kcal/mol) = -53.32

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(667); H(25), C7H10(667); C7H9(5)+H(25)(+M)=>C7H10(667)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.360e+00 -2.214e+00 -1.324e-01 -3.686e-02 / CHEB/ 2.375e+00 6.380e-01 -2.751e-01 4.021e-02 / CHEB/ 2.122e-01 5.056e-01 -5.983e-02 -7.007e-02 / CHEB/ -1.734e-01 1.877e-01 6.671e-02 -3.973e-02 / CHEB/ -8.868e-02 5.655e-02 5.369e-02 1.210e-02 / CHEB/ -4.587e-03 3.257e-02 7.088e-03 1.143e-02 /

4325.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.1	-1.2	+0.5	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-4.8	-1.6	+0.4	+1.6

Chebyshev(coeffs=[[2.54116,-0.976347,-0.489412,-0.141505],[3.61721,0.595503,0.279105,0.0642471],[1.09063,0.211882,0.106873,0.0329698],[0.282907,0.120658,0.0568632,0.0119628],[0.0290726,-0.00315027,0.00361458,0.00465695],[-0.0210484,-0.0345938,-0.0140818,-0.00116578]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.53
S298 (cal/mol*K) = -22.84
G298 (kcal/mol) = -6.72

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(668); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(668)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.541e+00 -9.763e-01 -4.894e-01 -1.415e-01 / CHEB/ 3.617e+00 5.955e-01 2.791e-01 6.425e-02 / CHEB/ 1.091e+00 2.119e-01 1.069e-01 3.297e-02 / CHEB/ 2.829e-01 1.207e-01 5.686e-02 1.196e-02 / CHEB/ 2.907e-02 -3.150e-03 3.615e-03 4.657e-03 / CHEB/ -2.105e-02 -3.459e-02 -1.408e-02 -1.166e-03 /

4326.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	-0.5	+0.8	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-3.3	-1.0	+0.6	+1.6

Chebyshev(coeffs=[[3.80574,-1.0309,-0.511091,-0.142864],[2.61396,0.59852,0.278845,0.0615365],[0.90415,0.235814,0.115328,0.0330187],[0.268735,0.133016,0.0604348,0.0117953],[0.0298688,-0.000348385,0.00492597,0.00494371],[-0.0218444,-0.0357004,-0.0138216,-0.000700725]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.80
S298 (cal/mol*K) = -45.86
G298 (kcal/mol) = -37.14

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(669); C2H4(72), C7H11(669); C5H7(210)+C2H4(72)(+M)=>C7H11(669)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.806e+00 -1.031e+00 -5.111e-01 -1.429e-01 / CHEB/ 2.614e+00 5.985e-01 2.788e-01 6.154e-02 / CHEB/ 9.041e-01 2.358e-01 1.153e-01 3.302e-02 / CHEB/ 2.687e-01 1.330e-01 6.043e-02 1.180e-02 / CHEB/ 2.987e-02 -3.484e-04 4.926e-03 4.944e-03 / CHEB/ -2.184e-02 -3.570e-02 -1.382e-02 -7.007e-04 /

4327.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+3.6	+3.9	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+2.5	+3.3	+3.8	+4.0

Chebyshev(coeffs=[[8.72835,-0.761034,-0.419558,-0.15069],[0.988002,0.462774,0.240625,0.0715112],[0.215866,0.081642,0.0499096,0.0240649],[0.0734118,0.0950044,0.0455593,0.0112206],[-0.00304043,0.02716,0.0168627,0.00748834],[-0.0274893,-0.0131524,-0.0041436,0.00115068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.80
S298 (cal/mol*K) = -45.86
G298 (kcal/mol) = -37.14

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(670); C2H4(72), C7H11(670); C5H7(210)+C2H4(72)(+M)=>C7H11(670)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.728e+00 -7.610e-01 -4.196e-01 -1.507e-01 / CHEB/ 9.880e-01 4.628e-01 2.406e-01 7.151e-02 / CHEB/ 2.159e-01 8.164e-02 4.991e-02 2.406e-02 / CHEB/ 7.341e-02 9.500e-02 4.556e-02 1.122e-02 / CHEB/ -3.040e-03 2.716e-02 1.686e-02 7.488e-03 / CHEB/ -2.749e-02 -1.315e-02 -4.144e-03 1.151e-03 /

4328.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+1.1	+1.6	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-0.4	+0.6	+1.4	+1.8

Chebyshev(coeffs=[[6.2166,-1.11725,-0.545745,-0.145973],[1.0304,0.563007,0.261849,0.0556234],[0.418482,0.267297,0.124864,0.0311675],[0.162727,0.163455,0.0697483,0.0112725],[0.0136664,0.0120531,0.00953286,0.00562424],[-0.0258913,-0.0349878,-0.012606,0.000364931]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -76.40
S298 (cal/mol*K) = -51.36
G298 (kcal/mol) = -61.10

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(671); C2H4(72), C7H11(671); C5H7(210)+C2H4(72)(+M)=>C7H11(671)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.217e+00 -1.117e+00 -5.457e-01 -1.460e-01 / CHEB/ 1.030e+00 5.630e-01 2.618e-01 5.562e-02 / CHEB/ 4.185e-01 2.673e-01 1.249e-01 3.117e-02 / CHEB/ 1.627e-01 1.635e-01 6.975e-02 1.127e-02 / CHEB/ 1.367e-02 1.205e-02 9.533e-03 5.624e-03 / CHEB/ -2.589e-02 -3.499e-02 -1.261e-02 3.649e-04 /

4329.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+1.1	+1.6	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-0.5	+0.5	+1.4	+1.9

Chebyshev(coeffs=[[6.162,-1.1137,-0.544333,-0.145844],[1.10346,0.565154,0.262807,0.0558749],[0.433897,0.266279,0.124591,0.0312693],[0.169828,0.161956,0.0692768,0.0112962],[0.018886,0.0112078,0.00922259,0.00558433],[-0.0243053,-0.0351433,-0.0127025,0.000305656]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.30
S298 (cal/mol*K) = -42.43
G298 (kcal/mol) = -50.66

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(672); C2H4(72), C7H11(672); C5H7(210)+C2H4(72)(+M)=>C7H11(672)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.162e+00 -1.114e+00 -5.443e-01 -1.458e-01 / CHEB/ 1.103e+00 5.652e-01 2.628e-01 5.587e-02 / CHEB/ 4.339e-01 2.663e-01 1.246e-01 3.127e-02 / CHEB/ 1.698e-01 1.620e-01 6.928e-02 1.130e-02 / CHEB/ 1.889e-02 1.121e-02 9.223e-03 5.584e-03 / CHEB/ -2.431e-02 -3.514e-02 -1.270e-02 3.057e-04 /

4330.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+1.5	+2.5	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-0.5	+1.3	+2.4	+3.0

Chebyshev(coeffs=[[6.16356,-0.682557,-0.351922,-0.107249],[2.07674,0.549707,0.243833,0.039606],[0.590631,0.0291151,0.0361808,0.028146],[0.13435,0.0144163,0.0110026,0.0073989],[0.0149403,0.00945775,0.00609142,0.00242571],[-0.0093629,0.00117267,0.00174141,0.00145989]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.70
S298 (cal/mol*K) = -43.95
G298 (kcal/mol) = -45.61

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(673); C2H4(72), C7H11(673); C5H7(210)+C2H4(72)(+M)=>C7H11(673)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.164e+00 -6.826e-01 -3.519e-01 -1.072e-01 / CHEB/ 2.077e+00 5.497e-01 2.438e-01 3.961e-02 / CHEB/ 5.906e-01 2.912e-02 3.618e-02 2.815e-02 / CHEB/ 1.344e-01 1.442e-02 1.100e-02 7.399e-03 / CHEB/ 1.494e-02 9.458e-03 6.091e-03 2.426e-03 / CHEB/ -9.363e-03 1.173e-03 1.741e-03 1.460e-03 /

4331.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-3.8	-1.1	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-4.1	-1.2	+0.4

Chebyshev(coeffs=[[-3.7685,-0.612155,-0.335023,-0.123519],[9.25535,0.343148,0.173945,0.0594199],[0.690155,0.160726,0.0904786,0.0295115],[0.217045,0.0883822,0.0490808,0.0163245],[0.0121042,-0.00693545,-0.0018753,0.00198265],[-0.0256018,-0.0268608,-0.0134042,-0.00333537]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.36
S298 (cal/mol*K) = -3.90
G298 (kcal/mol) = 25.52

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(674); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>CH3(423)+C6H8(674)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.768e+00 -6.122e-01 -3.350e-01 -1.235e-01 / CHEB/ 9.255e+00 3.431e-01 1.739e-01 5.942e-02 / CHEB/ 6.902e-01 1.607e-01 9.048e-02 2.951e-02 / CHEB/ 2.170e-01 8.838e-02 4.908e-02 1.632e-02 / CHEB/ 1.210e-02 -6.935e-03 -1.875e-03 1.983e-03 / CHEB/ -2.560e-02 -2.686e-02 -1.340e-02 -3.335e-03 /

4332.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-6.5	-3.5	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-6.8	-3.6	-1.8

Chebyshev(coeffs=[[-6.83089,-0.617623,-0.337503,-0.124079],[9.89259,0.346921,0.175651,0.059842],[0.863983,0.161634,0.0907668,0.0294834],[0.266932,0.0888774,0.0492587,0.016258],[0.0281979,-0.00694967,-0.00182159,0.0020481],[-0.0199775,-0.0270092,-0.0134417,-0.00330273]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.90
S298 (cal/mol*K) = -15.39
G298 (kcal/mol) = 29.48

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(675); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(675)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.831e+00 -6.176e-01 -3.375e-01 -1.241e-01 / CHEB/ 9.893e+00 3.469e-01 1.757e-01 5.984e-02 / CHEB/ 8.640e-01 1.616e-01 9.077e-02 2.948e-02 / CHEB/ 2.669e-01 8.888e-02 4.926e-02 1.626e-02 / CHEB/ 2.820e-02 -6.950e-03 -1.822e-03 2.048e-03 / CHEB/ -1.998e-02 -2.701e-02 -1.344e-02 -3.303e-03 /

4333.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-4.0	-0.7	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-4.3	-0.8	+1.1

Chebyshev(coeffs=[[-4.96041,-0.582177,-0.321382,-0.120314],[10.8994,0.322703,0.164724,0.0569782],[0.867152,0.155488,0.0887256,0.0296913],[0.275743,0.0855802,0.0480414,0.0166639],[0.0340161,-0.0067986,-0.00213239,0.0016092],[-0.0175709,-0.0260082,-0.0131785,-0.00350729]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.01
S298 (cal/mol*K) = -0.22
G298 (kcal/mol) = 29.08

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H7(676); C2H4(72), C3H4(73); C5H7(210)+C2H4(72)(+M)=>C3H4(73)+C4H7(676)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.960e+00 -5.822e-01 -3.214e-01 -1.203e-01 / CHEB/ 1.090e+01 3.227e-01 1.647e-01 5.698e-02 / CHEB/ 8.672e-01 1.555e-01 8.873e-02 2.969e-02 / CHEB/ 2.757e-01 8.558e-02 4.804e-02 1.666e-02 / CHEB/ 3.402e-02 -6.799e-03 -2.132e-03 1.609e-03 / CHEB/ -1.757e-02 -2.601e-02 -1.318e-02 -3.507e-03 /

4334.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-5.0	-2.5	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-5.3	-2.6	-1.1

Chebyshev(coeffs=[[-3.37439,-0.780361,-0.409742,-0.13669],[6.93403,0.464524,0.228138,0.0678525],[1.08324,0.18211,0.0961056,0.0296476],[0.283719,0.102165,0.0531184,0.0140796],[0.0262322,-0.00584587,0.000603578,0.00360926],[-0.0206806,-0.0306014,-0.0140971,-0.00232945]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.80
S298 (cal/mol*K) = -24.32
G298 (kcal/mol) = 19.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(677); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(677)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.374e+00 -7.804e-01 -4.097e-01 -1.367e-01 / CHEB/ 6.934e+00 4.645e-01 2.281e-01 6.785e-02 / CHEB/ 1.083e+00 1.821e-01 9.611e-02 2.965e-02 / CHEB/ 2.837e-01 1.022e-01 5.312e-02 1.408e-02 / CHEB/ 2.623e-02 -5.846e-03 6.036e-04 3.609e-03 / CHEB/ -2.068e-02 -3.060e-02 -1.410e-02 -2.329e-03 /

4335.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.9	-7.9	-4.3	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-8.1	-4.3	-2.3

Chebyshev(coeffs=[[-9.80858,-0.517657,-0.291718,-0.112742],[12.4601,0.280007,0.145619,0.0511832],[0.784243,0.142854,0.0839441,0.0301766],[0.262998,0.0790186,0.0454242,0.0171601],[0.0356877,-0.00617073,-0.00247255,0.000746097],[-0.0159458,-0.0239546,-0.0125649,-0.0038028]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.40
S298 (cal/mol*K) = -16.12
G298 (kcal/mol) = 39.20

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(578); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(578)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.809e+00 -5.177e-01 -2.917e-01 -1.127e-01 / CHEB/ 1.246e+01 2.800e-01 1.456e-01 5.118e-02 / CHEB/ 7.842e-01 1.429e-01 8.394e-02 3.018e-02 / CHEB/ 2.630e-01 7.902e-02 4.542e-02 1.716e-02 / CHEB/ 3.569e-02 -6.171e-03 -2.473e-03 7.461e-04 / CHEB/ -1.595e-02 -2.395e-02 -1.256e-02 -3.803e-03 /

4336.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-6.2	-2.7	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-6.5	-2.8	-0.8

Chebyshev(coeffs=[[-7.49422,-0.562727,-0.312345,-0.118039],[11.4876,0.31523,0.161591,0.0560916],[0.916669,0.150554,0.0869218,0.0297825],[0.294016,0.0821376,0.046644,0.0167716],[0.0445375,-0.00753114,-0.002664,0.00130881],[-0.0138907,-0.0255532,-0.0131115,-0.0036608]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.50
S298 (cal/mol*K) = -16.91
G298 (kcal/mol) = 34.54

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(638); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(638)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.494e+00 -5.627e-01 -3.123e-01 -1.180e-01 / CHEB/ 1.149e+01 3.152e-01 1.616e-01 5.609e-02 / CHEB/ 9.167e-01 1.506e-01 8.692e-02 2.978e-02 / CHEB/ 2.940e-01 8.214e-02 4.664e-02 1.677e-02 / CHEB/ 4.454e-02 -7.531e-03 -2.664e-03 1.309e-03 / CHEB/ -1.389e-02 -2.555e-02 -1.311e-02 -3.661e-03 /

4337.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-8.4	-4.5	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-18.4	-8.6	-4.6	-2.4

Chebyshev(coeffs=[[-10.8826,-0.487911,-0.277847,-0.109001],[13.423,0.260897,0.137103,0.048395],[0.786435,0.136431,0.0812694,0.0303928],[0.2679,0.0757632,0.0440389,0.0172282],[0.040195,-0.00573938,-0.00253438,0.000344993],[-0.0137335,-0.0229155,-0.0122147,-0.00388577]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.40
S298 (cal/mol*K) = -18.82
G298 (kcal/mol) = 43.00

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(678); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(678)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.088e+01 -4.879e-01 -2.778e-01 -1.090e-01 / CHEB/ 1.342e+01 2.609e-01 1.371e-01 4.840e-02 / CHEB/ 7.864e-01 1.364e-01 8.127e-02 3.039e-02 / CHEB/ 2.679e-01 7.576e-02 4.404e-02 1.723e-02 / CHEB/ 4.019e-02 -5.739e-03 -2.534e-03 3.450e-04 / CHEB/ -1.373e-02 -2.292e-02 -1.221e-02 -3.886e-03 /

4338.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.5	-8.8	-4.8	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-9.0	-4.9	-2.7

Chebyshev(coeffs=[[-11.3104,-0.488997,-0.278356,-0.10914],[13.4831,0.261592,0.137413,0.0484972],[0.80756,0.136668,0.0813707,0.0303853],[0.273961,0.0758848,0.0440917,0.017228],[0.0421,-0.00575655,-0.00253319,0.000359341],[-0.0130869,-0.0229542,-0.0122283,-0.0038835]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.40
S298 (cal/mol*K) = -18.82
G298 (kcal/mol) = 43.00

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(679); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(679)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.131e+01 -4.890e-01 -2.784e-01 -1.091e-01 / CHEB/ 1.348e+01 2.616e-01 1.374e-01 4.850e-02 / CHEB/ 8.076e-01 1.367e-01 8.137e-02 3.039e-02 / CHEB/ 2.740e-01 7.588e-02 4.409e-02 1.723e-02 / CHEB/ 4.210e-02 -5.757e-03 -2.533e-03 3.593e-04 / CHEB/ -1.309e-02 -2.295e-02 -1.223e-02 -3.883e-03 /

4339.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	-3.0	-1.6	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-3.5	-1.8	-0.8

Chebyshev(coeffs=[[1.11396,-1.0169,-0.505623,-0.142604],[2.86408,0.597614,0.278759,0.0621225],[0.948696,0.228642,0.112732,0.0329649],[0.267099,0.129465,0.0593639,0.0118053],[0.0265054,-0.000886718,0.00465537,0.00485487],[-0.0227222,-0.0351908,-0.0138148,-0.000828743]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.43
S298 (cal/mol*K) = -48.93
G298 (kcal/mol) = -30.85

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(680); C2H4(72), C7H11(680); C5H7(210)+C2H4(72)(+M)=>C7H11(680)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.114e+00 -1.017e+00 -5.056e-01 -1.426e-01 / CHEB/ 2.864e+00 5.976e-01 2.788e-01 6.212e-02 / CHEB/ 9.487e-01 2.286e-01 1.127e-01 3.296e-02 / CHEB/ 2.671e-01 1.295e-01 5.936e-02 1.181e-02 / CHEB/ 2.651e-02 -8.867e-04 4.655e-03 4.855e-03 / CHEB/ -2.272e-02 -3.519e-02 -1.381e-02 -8.287e-04 /

4340.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.3	+0.9	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-1.6	+0.8	+2.1

Chebyshev(coeffs=[[0.813261,-0.783886,-0.411257,-0.136869],[6.1303,0.467153,0.229262,0.0679097],[0.922203,0.182417,0.0961763,0.0296783],[0.235159,0.10245,0.0531829,0.0140328],[0.0101365,-0.00579293,0.000667476,0.00363533],[-0.0263404,-0.030667,-0.0141026,-0.00230978]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.87
S298 (cal/mol*K) = -4.00
G298 (kcal/mol) = 11.07

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(210); C2H4(72), C2H4(681); C5H7(210)+C2H4(72)(+M)=>C5H7(210)+C2H4(681)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.133e-01 -7.839e-01 -4.113e-01 -1.369e-01 / CHEB/ 6.130e+00 4.672e-01 2.293e-01 6.791e-02 / CHEB/ 9.222e-01 1.824e-01 9.618e-02 2.968e-02 / CHEB/ 2.352e-01 1.024e-01 5.318e-02 1.403e-02 / CHEB/ 1.014e-02 -5.793e-03 6.675e-04 3.635e-03 / CHEB/ -2.634e-02 -3.067e-02 -1.410e-02 -2.310e-03 /

4341.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-7.8	-4.1	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-8.0	-4.1	-2.1

Chebyshev(coeffs=[[-10.3165,-0.472635,-0.270661,-0.107032],[13.3478,0.251211,0.132783,0.0469669],[0.658258,0.132997,0.0797846,0.0304845],[0.232097,0.0740411,0.0432816,0.0172127],[0.02984,-0.00548678,-0.00254252,0.000146319],[-0.0170302,-0.0223621,-0.0120167,-0.00391191]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.11
S298 (cal/mol*K) = -9.58
G298 (kcal/mol) = 40.96

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(682); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(682)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.032e+01 -4.726e-01 -2.707e-01 -1.070e-01 / CHEB/ 1.335e+01 2.512e-01 1.328e-01 4.697e-02 / CHEB/ 6.583e-01 1.330e-01 7.978e-02 3.048e-02 / CHEB/ 2.321e-01 7.404e-02 4.328e-02 1.721e-02 / CHEB/ 2.984e-02 -5.487e-03 -2.543e-03 1.463e-04 / CHEB/ -1.703e-02 -2.236e-02 -1.202e-02 -3.912e-03 /

4342.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.2	-11.0	-5.8	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-25.4	-11.1	-5.9	-3.1

Chebyshev(coeffs=[[-17.8818,-0.280775,-0.17479,-0.0793662],[20.0555,0.134429,0.0789327,0.0317569],[0.477605,0.0844765,0.0551116,0.0269247],[0.189797,0.0505026,0.0312599,0.014046],[0.033653,-0.0013418,-0.00111271,-0.000722861],[-0.0100403,-0.0146883,-0.00862721,-0.00342575]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.82
S298 (cal/mol*K) = -8.23
G298 (kcal/mol) = 55.28

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(683); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(683)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.788e+01 -2.808e-01 -1.748e-01 -7.937e-02 / CHEB/ 2.006e+01 1.344e-01 7.893e-02 3.176e-02 / CHEB/ 4.776e-01 8.448e-02 5.511e-02 2.692e-02 / CHEB/ 1.898e-01 5.050e-02 3.126e-02 1.405e-02 / CHEB/ 3.365e-02 -1.342e-03 -1.113e-03 -7.229e-04 / CHEB/ -1.004e-02 -1.469e-02 -8.627e-03 -3.426e-03 /

4343.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-7.8	-3.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-17.4	-8.1	-4.0	-1.8

Chebyshev(coeffs=[[-9.72933,-0.524224,-0.294231,-0.11327],[12.5858,0.30232,0.156435,0.0545651],[1.01938,0.139674,0.0827049,0.0298884],[0.316468,0.0747612,0.0434941,0.0168141],[0.0502155,-0.00881598,-0.00367245,0.000652775],[-0.0105825,-0.0244958,-0.0129103,-0.00395976]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = -18.07
G298 (kcal/mol) = 38.38

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(684); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(684)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.729e+00 -5.242e-01 -2.942e-01 -1.133e-01 / CHEB/ 1.259e+01 3.023e-01 1.564e-01 5.457e-02 / CHEB/ 1.019e+00 1.397e-01 8.270e-02 2.989e-02 / CHEB/ 3.165e-01 7.476e-02 4.349e-02 1.681e-02 / CHEB/ 5.022e-02 -8.816e-03 -3.672e-03 6.528e-04 / CHEB/ -1.058e-02 -2.450e-02 -1.291e-02 -3.960e-03 /

4344.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	-1.5	+0.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-4.7	-1.9	-0.1	+1.0

Chebyshev(coeffs=[[2.53966,-1.0013,-0.499259,-0.142002],[3.16529,0.600615,0.28056,0.06318],[1.02728,0.222786,0.110856,0.0331588],[0.284207,0.125233,0.0581191,0.011891],[0.0311331,-0.00242408,0.00403867,0.00477436],[-0.0209042,-0.0352408,-0.014017,-0.000966834]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.96
S298 (cal/mol*K) = -24.85
G298 (kcal/mol) = -9.55

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(685); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(685)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.540e+00 -1.001e+00 -4.993e-01 -1.420e-01 / CHEB/ 3.165e+00 6.006e-01 2.806e-01 6.318e-02 / CHEB/ 1.027e+00 2.228e-01 1.109e-01 3.316e-02 / CHEB/ 2.842e-01 1.252e-01 5.812e-02 1.189e-02 / CHEB/ 3.113e-02 -2.424e-03 4.039e-03 4.774e-03 / CHEB/ -2.090e-02 -3.524e-02 -1.402e-02 -9.668e-04 /

4345.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+0.6	+1.5	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+0.1	+1.3	+2.0

Chebyshev(coeffs=[[5.27864,-1.07782,-0.530079,-0.144673],[1.81681,0.581112,0.270178,0.0582045],[0.654932,0.252855,0.120483,0.0320482],[0.213041,0.148423,0.0650738,0.0114973],[0.0188038,0.00572494,0.00719603,0.00525844],[-0.0256096,-0.0353532,-0.0131794,-0.000192052]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.61
S298 (cal/mol*K) = -41.59
G298 (kcal/mol) = -48.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(629); C2H4(72), C7H11(629); C5H7(210)+C2H4(72)(+M)=>C7H11(629)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.279e+00 -1.078e+00 -5.301e-01 -1.447e-01 / CHEB/ 1.817e+00 5.811e-01 2.702e-01 5.820e-02 / CHEB/ 6.549e-01 2.529e-01 1.205e-01 3.205e-02 / CHEB/ 2.130e-01 1.484e-01 6.507e-02 1.150e-02 / CHEB/ 1.880e-02 5.725e-03 7.196e-03 5.258e-03 / CHEB/ -2.561e-02 -3.535e-02 -1.318e-02 -1.921e-04 /

4346.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-3.0	-0.9	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-3.4	-1.1	+0.2

Chebyshev(coeffs=[[-0.0405102,-0.904444,-0.461073,-0.140516],[4.85857,0.556717,0.265095,0.0667136],[1.14997,0.192249,0.0993062,0.0316428],[0.264162,0.113301,0.0554082,0.012494],[0.0149652,-0.00390358,0.00272979,0.00437286],[-0.0245611,-0.0328383,-0.014133,-0.00164327]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.11
S298 (cal/mol*K) = -45.02
G298 (kcal/mol) = -34.70

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(631); C2H4(72), C7H11(631); C5H7(210)+C2H4(72)(+M)=>C7H11(631)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.051e-02 -9.044e-01 -4.611e-01 -1.405e-01 / CHEB/ 4.859e+00 5.567e-01 2.651e-01 6.671e-02 / CHEB/ 1.150e+00 1.922e-01 9.931e-02 3.164e-02 / CHEB/ 2.642e-01 1.133e-01 5.541e-02 1.249e-02 / CHEB/ 1.497e-02 -3.904e-03 2.730e-03 4.373e-03 / CHEB/ -2.456e-02 -3.284e-02 -1.413e-02 -1.643e-03 /

4347.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+0.2	+1.1	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-2.1	-0.3	+0.9	+1.6

Chebyshev(coeffs=[[4.82493,-1.07262,-0.527942,-0.144424],[1.87022,0.584066,0.271593,0.0586505],[0.68372,0.251506,0.120167,0.0322245],[0.215083,0.146738,0.0645883,0.0115549],[0.0130603,0.0049532,0.00692523,0.00522834],[-0.0272834,-0.0354963,-0.0132788,-0.000252615]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.61
S298 (cal/mol*K) = -41.59
G298 (kcal/mol) = -48.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(628); C2H4(72), C7H11(628); C5H7(210)+C2H4(72)(+M)=>C7H11(628)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.825e+00 -1.073e+00 -5.279e-01 -1.444e-01 / CHEB/ 1.870e+00 5.841e-01 2.716e-01 5.865e-02 / CHEB/ 6.837e-01 2.515e-01 1.202e-01 3.222e-02 / CHEB/ 2.151e-01 1.467e-01 6.459e-02 1.155e-02 / CHEB/ 1.306e-02 4.953e-03 6.925e-03 5.228e-03 / CHEB/ -2.728e-02 -3.550e-02 -1.328e-02 -2.526e-04 /

4348.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	-1.2	-0.0	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-3.9	-1.7	-0.2	+0.6

Chebyshev(coeffs=[[3.1675,-1.04158,-0.515666,-0.143574],[2.3809,0.590654,0.275025,0.0603816],[0.811236,0.237565,0.115487,0.0325434],[0.236225,0.136691,0.0614975,0.0116516],[0.0190229,0.00190767,0.00572827,0.0049939],[-0.0257367,-0.0350129,-0.0134735,-0.000593562]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.11
S298 (cal/mol*K) = -42.32
G298 (kcal/mol) = -38.50

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(630); C2H4(72), C7H11(630); C5H7(210)+C2H4(72)(+M)=>C7H11(630)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.168e+00 -1.042e+00 -5.157e-01 -1.436e-01 / CHEB/ 2.381e+00 5.907e-01 2.750e-01 6.038e-02 / CHEB/ 8.112e-01 2.376e-01 1.155e-01 3.254e-02 / CHEB/ 2.362e-01 1.367e-01 6.150e-02 1.165e-02 / CHEB/ 1.902e-02 1.908e-03 5.728e-03 4.994e-03 / CHEB/ -2.574e-02 -3.501e-02 -1.347e-02 -5.936e-04 /

4349.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-3.0	-1.3	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-3.4	-1.4	-0.2

Chebyshev(coeffs=[[0.552826,-0.96374,-0.484593,-0.141488],[3.82842,0.587585,0.276085,0.0645154],[1.08996,0.20664,0.104783,0.032651],[0.272264,0.119747,0.0567319,0.0120035],[0.0260437,-0.00269566,0.00367748,0.00461202],[-0.0220104,-0.0340059,-0.0140033,-0.00125176]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.91
S298 (cal/mol*K) = -45.44
G298 (kcal/mol) = -32.37

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(632); C2H4(72), C7H11(632); C5H7(210)+C2H4(72)(+M)=>C7H11(632)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.528e-01 -9.637e-01 -4.846e-01 -1.415e-01 / CHEB/ 3.828e+00 5.876e-01 2.761e-01 6.452e-02 / CHEB/ 1.090e+00 2.066e-01 1.048e-01 3.265e-02 / CHEB/ 2.723e-01 1.197e-01 5.673e-02 1.200e-02 / CHEB/ 2.604e-02 -2.696e-03 3.677e-03 4.612e-03 / CHEB/ -2.201e-02 -3.401e-02 -1.400e-02 -1.252e-03 /

4350.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+4.7	+4.8	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+4.2	+4.6	+4.7

Chebyshev(coeffs=[[9.81601,-1.05814,-0.587326,-0.205878],[0.658132,0.554705,0.303986,0.10153],[0.174417,0.264601,0.130259,0.0315779],[0.0666308,0.14802,0.0738944,0.0183126],[-0.0145378,-0.000753646,0.00700854,0.00836957],[-0.0303614,-0.0406179,-0.0156394,0.000356037]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.01
S298 (cal/mol*K) = -43.12
G298 (kcal/mol) = -43.16

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(571); C2H4(72), C7H11(571); C5H7(210)+C2H4(72)(+M)=>C7H11(571)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.816e+00 -1.058e+00 -5.873e-01 -2.059e-01 / CHEB/ 6.581e-01 5.547e-01 3.040e-01 1.015e-01 / CHEB/ 1.744e-01 2.646e-01 1.303e-01 3.158e-02 / CHEB/ 6.663e-02 1.480e-01 7.389e-02 1.831e-02 / CHEB/ -1.454e-02 -7.536e-04 7.009e-03 8.370e-03 / CHEB/ -3.036e-02 -4.062e-02 -1.564e-02 3.560e-04 /

4351.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.9	+1.6	+2.0	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-0.0	+1.0	+1.7	+2.1

Chebyshev(coeffs=[[6.53058,-1.21093,-0.612972,-0.182861],[1.04745,0.607589,0.289486,0.0690053],[0.371238,0.291772,0.144157,0.0423988],[0.13858,0.177783,0.0819943,0.0183264],[-0.00665392,0.00716965,0.0076777,0.00542078],[-0.0374018,-0.0417496,-0.0170834,-0.00169935]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.29
S298 (cal/mol*K) = -44.53
G298 (kcal/mol) = -48.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(686); C2H4(72), C7H11(686); C5H7(210)+C2H4(72)(+M)=>C7H11(686)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.531e+00 -1.211e+00 -6.130e-01 -1.829e-01 / CHEB/ 1.047e+00 6.076e-01 2.895e-01 6.901e-02 / CHEB/ 3.712e-01 2.918e-01 1.442e-01 4.240e-02 / CHEB/ 1.386e-01 1.778e-01 8.199e-02 1.833e-02 / CHEB/ -6.654e-03 7.170e-03 7.678e-03 5.421e-03 / CHEB/ -3.740e-02 -4.175e-02 -1.708e-02 -1.699e-03 /

4352.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.9	-10.6	-5.4	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-25.0	-10.7	-5.4	-2.6

Chebyshev(coeffs=[[-17.4941,-0.278139,-0.173373,-0.0789124],[20.1728,0.132856,0.078161,0.031565],[0.476091,0.0837769,0.0547008,0.0267807],[0.18933,0.0501609,0.0310704,0.0139777],[0.0337128,-0.00128414,-0.00107621,-0.00070823],[-0.00992872,-0.0145775,-0.00857323,-0.00341377]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.41
S298 (cal/mol*K) = -5.19
G298 (kcal/mol) = 54.96

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(687); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(687)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.749e+01 -2.781e-01 -1.734e-01 -7.891e-02 / CHEB/ 2.017e+01 1.329e-01 7.816e-02 3.157e-02 / CHEB/ 4.761e-01 8.378e-02 5.470e-02 2.678e-02 / CHEB/ 1.893e-01 5.016e-02 3.107e-02 1.398e-02 / CHEB/ 3.371e-02 -1.284e-03 -1.076e-03 -7.082e-04 / CHEB/ -9.929e-03 -1.458e-02 -8.573e-03 -3.414e-03 /

4390.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-2.2	+1.3	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-2.6	+1.1	+2.8

Chebyshev(coeffs=[[-5.38764,-1.30035,-0.170935,0.000892849],[13.8567,0.943982,-0.0607809,-0.0640498],[0.402161,0.2937,0.0745052,-0.0167176],[0.017206,-0.0445851,0.0482736,0.0108488],[-0.030593,-0.0703193,0.0110575,0.0160859],[-0.0360251,-0.0234016,-0.00816969,0.00620678]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.49
S298 (cal/mol*K) = 25.85
G298 (kcal/mol) = 31.79

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(156); H(25), C3H5(489); C7H9(5)+H(25)(+M)=>C4H5(156)+C3H5(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.388e+00 -1.300e+00 -1.709e-01 8.928e-04 / CHEB/ 1.386e+01 9.440e-01 -6.078e-02 -6.405e-02 / CHEB/ 4.022e-01 2.937e-01 7.451e-02 -1.672e-02 / CHEB/ 1.721e-02 -4.459e-02 4.827e-02 1.085e-02 / CHEB/ -3.059e-02 -7.032e-02 1.106e-02 1.609e-02 / CHEB/ -3.603e-02 -2.340e-02 -8.170e-03 6.207e-03 /

4391.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-2.6	+0.6	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-3.1	+0.4	+2.1

Chebyshev(coeffs=[[-4.09726,-1.53042,-0.0773286,0.0164315],[11.401,1.05078,-0.171243,-0.0724304],[0.761631,0.386406,0.0577842,-0.0237995],[0.0445576,0.00494152,0.0551621,0.0040055],[-0.0239733,-0.0756225,0.0229283,0.0137904],[-0.00947056,-0.0501301,-0.00165721,0.0090796]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.18
S298 (cal/mol*K) = 9.85
G298 (kcal/mol) = 25.24

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(688); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(688)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.097e+00 -1.530e+00 -7.733e-02 1.643e-02 / CHEB/ 1.140e+01 1.051e+00 -1.712e-01 -7.243e-02 / CHEB/ 7.616e-01 3.864e-01 5.778e-02 -2.380e-02 / CHEB/ 4.456e-02 4.942e-03 5.516e-02 4.006e-03 / CHEB/ -2.397e-02 -7.562e-02 2.293e-02 1.379e-02 / CHEB/ -9.471e-03 -5.013e-02 -1.657e-03 9.080e-03 /

4392.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	-5.2	-1.5	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-5.6	-1.7	+0.2

Chebyshev(coeffs=[[-8.33384,-1.33005,-0.157648,0.00178581],[13.9199,0.967607,-0.0762759,-0.063718],[0.571679,0.303785,0.0742104,-0.0179039],[0.0696531,-0.0427501,0.0503226,0.0102189],[-0.0231639,-0.0734569,0.0122199,0.0162971],[-0.0030922,-0.0267952,-0.00794292,0.00666708]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.49
S298 (cal/mol*K) = 10.78
G298 (kcal/mol) = 35.28

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(689); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(689)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.334e+00 -1.330e+00 -1.576e-01 1.786e-03 / CHEB/ 1.392e+01 9.676e-01 -7.628e-02 -6.372e-02 / CHEB/ 5.717e-01 3.038e-01 7.421e-02 -1.790e-02 / CHEB/ 6.965e-02 -4.275e-02 5.032e-02 1.022e-02 / CHEB/ -2.316e-02 -7.346e-02 1.222e-02 1.630e-02 / CHEB/ -3.092e-03 -2.680e-02 -7.943e-03 6.667e-03 /

4393.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-3.5	+0.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-3.8	+0.4	+2.3

Chebyshev(coeffs=[[-8.25796,-1.10797,-0.235378,-0.00877804],[16.2409,0.826441,0.0255637,-0.0617381],[0.356397,0.220147,0.0839738,-0.00585071],[0.0193587,-0.0592164,0.0332115,0.0165093],[-0.042413,-0.0487202,0.000287489,0.0135877],[-0.051349,-0.00698036,-0.00859908,0.00228234]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.15
S298 (cal/mol*K) = 26.35
G298 (kcal/mol) = 41.30

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H7(690); H(25), CH3(423); C7H9(5)+H(25)(+M)=>CH3(423)+C6H7(690)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.258e+00 -1.108e+00 -2.354e-01 -8.778e-03 / CHEB/ 1.624e+01 8.264e-01 2.556e-02 -6.174e-02 / CHEB/ 3.564e-01 2.201e-01 8.397e-02 -5.851e-03 / CHEB/ 1.936e-02 -5.922e-02 3.321e-02 1.651e-02 / CHEB/ -4.241e-02 -4.872e-02 2.875e-04 1.359e-02 / CHEB/ -5.135e-02 -6.980e-03 -8.599e-03 2.282e-03 /

4394.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.0	-7.8	-3.2	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-21.8	-8.0	-3.3	-1.1

Chebyshev(coeffs=[[-13.891,-0.959509,-0.274493,-0.0210107],[18.4201,0.715505,0.0864282,-0.0529307],[0.406197,0.174188,0.083341,0.00334336],[0.0294035,-0.0545421,0.0192226,0.0179275],[-0.0480251,-0.0313323,-0.00425119,0.00960002],[-0.0556305,-0.00174148,-0.00627325,-1.64811e-06]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.29
S298 (cal/mol*K) = 16.40
G298 (kcal/mol) = 51.40

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(691); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(691)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.389e+01 -9.595e-01 -2.745e-01 -2.101e-02 / CHEB/ 1.842e+01 7.155e-01 8.643e-02 -5.293e-02 / CHEB/ 4.062e-01 1.742e-01 8.334e-02 3.343e-03 / CHEB/ 2.940e-02 -5.454e-02 1.922e-02 1.793e-02 / CHEB/ -4.803e-02 -3.133e-02 -4.251e-03 9.600e-03 / CHEB/ -5.563e-02 -1.741e-03 -6.273e-03 -1.648e-06 /

4395.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.4	-8.4	-3.7	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-23.1	-8.7	-3.8	-1.5

Chebyshev(coeffs=[[-15.2232,-0.879826,-0.28974,-0.0297494],[19.4101,0.650069,0.114854,-0.0447394],[0.375363,0.155656,0.0795959,0.00811651],[0.0147108,-0.0490262,0.0124939,0.0171793],[-0.0559774,-0.0242955,-0.0049965,0.00733119],[-0.0583712,-0.000989556,-0.00480948,-0.000596196]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.79
S298 (cal/mol*K) = 16.40
G298 (kcal/mol) = 54.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(692); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(692)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.522e+01 -8.798e-01 -2.897e-01 -2.975e-02 / CHEB/ 1.941e+01 6.501e-01 1.149e-01 -4.474e-02 / CHEB/ 3.754e-01 1.557e-01 7.960e-02 8.117e-03 / CHEB/ 1.471e-02 -4.903e-02 1.249e-02 1.718e-02 / CHEB/ -5.598e-02 -2.430e-02 -4.997e-03 7.331e-03 / CHEB/ -5.837e-02 -9.896e-04 -4.809e-03 -5.962e-04 /

4396.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.4	-8.4	-3.7	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-23.1	-8.7	-3.8	-1.5

H298 (kcal/mol) = 59.79
S298 (cal/mol*K) = 16.40
G298 (kcal/mol) = 54.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(693); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(693)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.522e+01 -8.798e-01 -2.897e-01 -2.975e-02 / CHEB/ 1.941e+01 6.501e-01 1.149e-01 -4.474e-02 / CHEB/ 3.754e-01 1.557e-01 7.960e-02 8.117e-03 / CHEB/ 1.471e-02 -4.903e-02 1.249e-02 1.718e-02 / CHEB/ -5.598e-02 -2.430e-02 -4.997e-03 7.331e-03 / CHEB/ -5.837e-02 -9.896e-04 -4.809e-03 -5.962e-04 /

4397.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.0	-7.8	-3.2	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-21.8	-8.0	-3.3	-1.1

H298 (kcal/mol) = 56.29
S298 (cal/mol*K) = 16.40
G298 (kcal/mol) = 51.40

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(694); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(694)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.389e+01 -9.595e-01 -2.745e-01 -2.101e-02 / CHEB/ 1.842e+01 7.155e-01 8.643e-02 -5.293e-02 / CHEB/ 4.062e-01 1.742e-01 8.334e-02 3.343e-03 / CHEB/ 2.940e-02 -5.454e-02 1.922e-02 1.793e-02 / CHEB/ -4.803e-02 -3.133e-02 -4.251e-03 9.600e-03 / CHEB/ -5.563e-02 -1.741e-03 -6.273e-03 -1.648e-06 /

4398.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	-0.1	+1.7	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-0.9	+1.4	+2.4

Chebyshev(coeffs=[[2.04454,-1.90805,-0.0290131,0.00599537],[5.57736,1.09876,-0.174967,-0.00188904],[0.924429,0.502733,-0.0451513,-0.0920361],[-0.0713858,0.115943,0.0526668,-0.00308314],[-0.0808825,-0.00846518,0.030205,0.0237159],[-0.000415118,-0.0511107,0.00150222,0.00697531]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.85
S298 (cal/mol*K) = -9.59
G298 (kcal/mol) = -4.99

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(695); H(25), C7H10(695); C7H9(5)+H(25)(+M)=>C7H10(695)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.045e+00 -1.908e+00 -2.901e-02 5.995e-03 / CHEB/ 5.577e+00 1.099e+00 -1.750e-01 -1.889e-03 / CHEB/ 9.244e-01 5.027e-01 -4.515e-02 -9.204e-02 / CHEB/ -7.139e-02 1.159e-01 5.267e-02 -3.083e-03 / CHEB/ -8.088e-02 -8.465e-03 3.021e-02 2.372e-02 / CHEB/ -4.151e-04 -5.111e-02 1.502e-03 6.975e-03 /

4399.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	-0.1	+2.2	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-0.8	+1.9	+3.1

Chebyshev(coeffs=[[0.800862,-1.77937,-0.0108329,0.0459998],[7.57175,1.11363,-0.235615,-0.0855757],[0.856314,0.454133,0.0181226,-0.047398],[-0.0437494,0.0844304,0.0520403,0.00695277],[-0.060295,-0.0395029,0.0268008,0.0122365],[0.00422365,-0.0643018,0.00639503,0.00556859]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.65
S298 (cal/mol*K) = -0.01
G298 (kcal/mol) = 5.66

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(696); H(25), C7H10(696); C7H9(5)+H(25)(+M)=>C7H10(696)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.009e-01 -1.779e+00 -1.083e-02 4.600e-02 / CHEB/ 7.572e+00 1.114e+00 -2.356e-01 -8.558e-02 / CHEB/ 8.563e-01 4.541e-01 1.812e-02 -4.740e-02 / CHEB/ -4.375e-02 8.443e-02 5.204e-02 6.953e-03 / CHEB/ -6.029e-02 -3.950e-02 2.680e-02 1.224e-02 / CHEB/ 4.224e-03 -6.430e-02 6.395e-03 5.569e-03 /

4400.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.2	-6.4	-2.7	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-6.8	-2.8	-0.9

Chebyshev(coeffs=[[-10.0316,-1.2919,-0.174033,0.000590344],[14.5561,0.939456,-0.0568486,-0.0641256],[0.530047,0.290361,0.0750589,-0.0162658],[0.0563027,-0.0458197,0.0477823,0.0111483],[-0.0180946,-0.0696316,0.0105479,0.0160568],[-0.0323272,-0.0224908,-0.00829896,0.00604443]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.75
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = 18.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(697); H(25), C7H10(697); C7H9(5)+H(25)(+M)=>C7H10(697)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.003e+01 -1.292e+00 -1.740e-01 5.903e-04 / CHEB/ 1.456e+01 9.395e-01 -5.685e-02 -6.413e-02 / CHEB/ 5.300e-01 2.904e-01 7.506e-02 -1.627e-02 / CHEB/ 5.630e-02 -4.582e-02 4.778e-02 1.115e-02 / CHEB/ -1.809e-02 -6.963e-02 1.055e-02 1.606e-02 / CHEB/ -3.233e-02 -2.249e-02 -8.299e-03 6.044e-03 /

4401.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-3.2	-1.4	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-3.9	-1.7	-0.8

Chebyshev(coeffs=[[-1.40319,-1.8389,-0.0126026,0.0327497],[6.05242,1.12495,-0.220067,-0.0548488],[0.755342,0.467998,-0.00590192,-0.0682655],[-0.103956,0.09806,0.0551374,0.00724217],[-0.0828973,-0.0270407,0.0266481,0.0158785],[-0.00145811,-0.0614198,0.00530455,0.00487341]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.44
S298 (cal/mol*K) = -15.99
G298 (kcal/mol) = -12.67

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(698); H(25), C7H10(698); C7H9(5)+H(25)(+M)=>C7H10(698)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.403e+00 -1.839e+00 -1.260e-02 3.275e-02 / CHEB/ 6.052e+00 1.125e+00 -2.201e-01 -5.485e-02 / CHEB/ 7.553e-01 4.680e-01 -5.902e-03 -6.827e-02 / CHEB/ -1.040e-01 9.806e-02 5.514e-02 7.242e-03 / CHEB/ -8.290e-02 -2.704e-02 2.665e-02 1.588e-02 / CHEB/ -1.458e-03 -6.142e-02 5.305e-03 4.873e-03 /

4402.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-4.2	-1.6	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-4.8	-1.8	-0.4

Chebyshev(coeffs=[[-3.74242,-1.72626,-0.0177192,0.0473378],[8.41519,1.10196,-0.233681,-0.0962663],[0.909728,0.44458,0.0311138,-0.0355108],[0.0123934,0.068259,0.0518911,0.00604205],[-0.0497356,-0.0504378,0.0271236,0.0108169],[0.00646644,-0.0646314,0.00585638,0.0066315]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.31
S298 (cal/mol*K) = -7.96
G298 (kcal/mol) = 7.69

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(699); H(25), C7H10(699); C7H9(5)+H(25)(+M)=>C7H10(699)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.742e+00 -1.726e+00 -1.772e-02 4.734e-02 / CHEB/ 8.415e+00 1.102e+00 -2.337e-01 -9.627e-02 / CHEB/ 9.097e-01 4.446e-01 3.111e-02 -3.551e-02 / CHEB/ 1.239e-02 6.826e-02 5.189e-02 6.042e-03 / CHEB/ -4.974e-02 -5.044e-02 2.712e-02 1.082e-02 / CHEB/ 6.466e-03 -6.463e-02 5.856e-03 6.631e-03 /

4403.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-5.2	-2.2	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-5.7	-2.4	-0.8

Chebyshev(coeffs=[[-6.50285,-1.5539,-0.0719013,0.019239],[11.0062,1.0436,-0.178309,-0.0740456],[0.690031,0.397971,0.0523574,-0.0252362],[0.0244368,0.0169661,0.053986,0.00289704],[-0.0263764,-0.0716291,0.0242445,0.0129923],[-0.00604786,-0.0529931,-5.50376e-05,0.00916122]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.75
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = 18.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(700); H(25), C7H10(700); C7H9(5)+H(25)(+M)=>C7H10(700)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.503e+00 -1.554e+00 -7.190e-02 1.924e-02 / CHEB/ 1.101e+01 1.044e+00 -1.783e-01 -7.405e-02 / CHEB/ 6.900e-01 3.980e-01 5.236e-02 -2.524e-02 / CHEB/ 2.444e-02 1.697e-02 5.399e-02 2.897e-03 / CHEB/ -2.638e-02 -7.163e-02 2.424e-02 1.299e-02 / CHEB/ -6.048e-03 -5.299e-02 -5.504e-05 9.161e-03 /

4404.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-6.6	-3.1	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-7.1	-3.3	-1.5

Chebyshev(coeffs=[[-9.31066,-1.40402,-0.131421,0.00476665],[13.1812,0.993383,-0.109392,-0.0632933],[0.595224,0.335867,0.0666011,-0.0217472],[0.0515242,-0.0250321,0.0528505,0.00703935],[-0.015761,-0.0757518,0.0171397,0.0157924],[-0.0206609,-0.0353657,-0.00579459,0.00797866]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.61
S298 (cal/mol*K) = -2.34
G298 (kcal/mol) = 27.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(701); H(25), C7H10(701); C7H9(5)+H(25)(+M)=>C7H10(701)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.311e+00 -1.404e+00 -1.314e-01 4.767e-03 / CHEB/ 1.318e+01 9.934e-01 -1.094e-01 -6.329e-02 / CHEB/ 5.952e-01 3.359e-01 6.660e-02 -2.175e-02 / CHEB/ 5.152e-02 -2.503e-02 5.285e-02 7.039e-03 / CHEB/ -1.576e-02 -7.575e-02 1.714e-02 1.579e-02 / CHEB/ -2.066e-02 -3.537e-02 -5.795e-03 7.979e-03 /

4405.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-3.4	-0.7	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-4.0	-1.0	+0.5

Chebyshev(coeffs=[[-3.66761,-1.661,-0.0345716,0.0399983],[9.38466,1.0726,-0.218465,-0.093847],[0.787523,0.433362,0.0402565,-0.0276576],[-0.00167777,0.0516492,0.0517499,0.00356517],[-0.0402382,-0.0592801,0.0268971,0.0105604],[0.00192582,-0.0619795,0.00430294,0.00807566]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.75
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = 18.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(702); H(25), C7H10(702); C7H9(5)+H(25)(+M)=>C7H10(702)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.668e+00 -1.661e+00 -3.457e-02 4.000e-02 / CHEB/ 9.385e+00 1.073e+00 -2.185e-01 -9.385e-02 / CHEB/ 7.875e-01 4.334e-01 4.026e-02 -2.766e-02 / CHEB/ -1.678e-03 5.165e-02 5.175e-02 3.565e-03 / CHEB/ -4.024e-02 -5.928e-02 2.690e-02 1.056e-02 / CHEB/ 1.926e-03 -6.198e-02 4.303e-03 8.076e-03 /

4406.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.4	-6.5	-3.1	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-17.4	-7.0	-3.2	-1.5

Chebyshev(coeffs=[[-9.1806,-1.40402,-0.131421,0.00476665],[13.1144,0.993383,-0.109392,-0.0632933],[0.580485,0.335867,0.0666011,-0.0217472],[0.0471845,-0.0250321,0.0528505,0.00703935],[-0.0171979,-0.0757518,0.0171397,0.0157924],[-0.0211671,-0.0353657,-0.00579459,0.00797866]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.61
S298 (cal/mol*K) = -2.34
G298 (kcal/mol) = 27.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(703); H(25), C7H10(703); C7H9(5)+H(25)(+M)=>C7H10(703)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.181e+00 -1.404e+00 -1.314e-01 4.767e-03 / CHEB/ 1.311e+01 9.934e-01 -1.094e-01 -6.329e-02 / CHEB/ 5.805e-01 3.359e-01 6.660e-02 -2.175e-02 / CHEB/ 4.718e-02 -2.503e-02 5.285e-02 7.039e-03 / CHEB/ -1.720e-02 -7.575e-02 1.714e-02 1.579e-02 / CHEB/ -2.117e-02 -3.537e-02 -5.795e-03 7.979e-03 /

4407.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-3.6	-1.0	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-4.2	-1.2	+0.2

Chebyshev(coeffs=[[-3.8383,-1.661,-0.0345716,0.0399983],[9.31791,1.0726,-0.218465,-0.093847],[0.772783,0.433362,0.0402565,-0.0276576],[-0.00601739,0.0516492,0.0517499,0.00356517],[-0.0416751,-0.0592801,0.0268971,0.0105604],[0.00141962,-0.0619795,0.00430294,0.00807566]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.75
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = 18.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(704); H(25), C7H10(704); C7H9(5)+H(25)(+M)=>C7H10(704)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.838e+00 -1.661e+00 -3.457e-02 4.000e-02 / CHEB/ 9.318e+00 1.073e+00 -2.185e-01 -9.385e-02 / CHEB/ 7.728e-01 4.334e-01 4.026e-02 -2.766e-02 / CHEB/ -6.017e-03 5.165e-02 5.175e-02 3.565e-03 / CHEB/ -4.168e-02 -5.928e-02 2.690e-02 1.056e-02 / CHEB/ 1.420e-03 -6.198e-02 4.303e-03 8.076e-03 /

4408.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-1.2	+1.5	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-1.8	+1.3	+2.8

Chebyshev(coeffs=[[-1.44792,-1.65949,-0.03498,0.039746],[9.4387,1.07223,-0.217985,-0.0936229],[0.793414,0.43304,0.0404592,-0.0275543],[0.00083211,0.051179,0.0517803,0.00353661],[-0.0393826,-0.0595357,0.0268622,0.0105735],[0.00203617,-0.0619426,0.00423,0.00809245]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.77
S298 (cal/mol*K) = 1.86
G298 (kcal/mol) = 17.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(705); H(25), C7H10(705); C7H9(5)+H(25)(+M)=>C7H10(705)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.448e+00 -1.659e+00 -3.498e-02 3.975e-02 / CHEB/ 9.439e+00 1.072e+00 -2.180e-01 -9.362e-02 / CHEB/ 7.934e-01 4.330e-01 4.046e-02 -2.755e-02 / CHEB/ 8.321e-04 5.118e-02 5.178e-02 3.537e-03 / CHEB/ -3.938e-02 -5.954e-02 2.686e-02 1.057e-02 / CHEB/ 2.036e-03 -6.194e-02 4.230e-03 8.092e-03 /

4409.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-0.8	+3.1	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-1.2	+3.0	+4.9

Chebyshev(coeffs=[[-4.51648,-1.27032,-0.180109,-0.000388042],[14.8478,0.933882,-0.0479695,-0.0642395],[0.54253,0.280457,0.077449,-0.014782],[0.081238,-0.0513556,0.0465537,0.0122936],[0.0102635,-0.0693998,0.00906797,0.01612],[-0.0418709,-0.0196388,-0.00886775,0.00550202]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.05
S298 (cal/mol*K) = 11.30
G298 (kcal/mol) = 18.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(706); H(25), C7H10(706); C7H9(5)+H(25)(+M)=>C7H10(706)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.516e+00 -1.270e+00 -1.801e-01 -3.880e-04 / CHEB/ 1.485e+01 9.339e-01 -4.797e-02 -6.424e-02 / CHEB/ 5.425e-01 2.805e-01 7.745e-02 -1.478e-02 / CHEB/ 8.124e-02 -5.136e-02 4.655e-02 1.229e-02 / CHEB/ 1.026e-02 -6.940e-02 9.068e-03 1.612e-02 / CHEB/ -4.187e-02 -1.964e-02 -8.868e-03 5.502e-03 /

4410.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-0.2	+3.4	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-0.6	+3.3	+5.1

Chebyshev(coeffs=[[-3.24909,-1.36182,-0.148092,0.00313322],[13.78,0.973355,-0.0889135,-0.0634669],[0.581096,0.319865,0.0693495,-0.0198857],[0.0609367,-0.0339264,0.0515207,0.00855884],[-0.014578,-0.0743893,0.0148273,0.0160545],[-0.0245377,-0.0304486,-0.00693673,0.00733342]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.24
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = 15.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(707); H(25), C7H10(707); C7H9(5)+H(25)(+M)=>C7H10(707)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.249e+00 -1.362e+00 -1.481e-01 3.133e-03 / CHEB/ 1.378e+01 9.734e-01 -8.891e-02 -6.347e-02 / CHEB/ 5.811e-01 3.199e-01 6.935e-02 -1.989e-02 / CHEB/ 6.094e-02 -3.393e-02 5.152e-02 8.559e-03 / CHEB/ -1.458e-02 -7.439e-02 1.483e-02 1.605e-02 / CHEB/ -2.454e-02 -3.045e-02 -6.937e-03 7.333e-03 /

4411.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-0.3	+3.4	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-0.7	+3.2	+5.1

Chebyshev(coeffs=[[-3.4671,-1.34427,-0.152946,0.00226358],[13.9345,0.971911,-0.0824374,-0.0635984],[0.572452,0.310434,0.0722256,-0.0187329],[0.0797978,-0.0399114,0.0508019,0.00961699],[0.0156067,-0.0752156,0.0136583,0.0163008],[-0.034753,-0.0278411,-0.00762043,0.00692821]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.66
S298 (cal/mol*K) = 9.85
G298 (kcal/mol) = 15.72

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(708); H(25), C7H10(708); C7H9(5)+H(25)(+M)=>C7H10(708)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.467e+00 -1.344e+00 -1.529e-01 2.264e-03 / CHEB/ 1.393e+01 9.719e-01 -8.244e-02 -6.360e-02 / CHEB/ 5.725e-01 3.104e-01 7.223e-02 -1.873e-02 / CHEB/ 7.980e-02 -3.991e-02 5.080e-02 9.617e-03 / CHEB/ 1.561e-02 -7.522e-02 1.366e-02 1.630e-02 / CHEB/ -3.475e-02 -2.784e-02 -7.620e-03 6.928e-03 /

4412.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-9.9	-6.1	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-22.2	-10.2	-6.2	-4.4

Chebyshev(coeffs=[[-14.313,-1.12828,-0.229563,-0.00734034],[15.7123,0.838603,0.0173947,-0.0624566],[0.294937,0.22935,0.0827284,-0.0072073],[0.00494505,-0.0589737,0.0353232,0.0160484],[-0.0465435,-0.0516955,0.00139489,0.0140613],[-0.0521,-0.00832267,-0.00880914,0.00271807]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.78
S298 (cal/mol*K) = -14.96
G298 (kcal/mol) = 17.24

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(709); H(25), C7H10(709); C7H9(5)+H(25)(+M)=>C7H10(709)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.431e+01 -1.128e+00 -2.296e-01 -7.340e-03 / CHEB/ 1.571e+01 8.386e-01 1.739e-02 -6.246e-02 / CHEB/ 2.949e-01 2.293e-01 8.273e-02 -7.207e-03 / CHEB/ 4.945e-03 -5.897e-02 3.532e-02 1.605e-02 / CHEB/ -4.654e-02 -5.170e-02 1.395e-03 1.406e-02 / CHEB/ -5.210e-02 -8.323e-03 -8.809e-03 2.718e-03 /

4413.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	-2.6	-0.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-3.3	-0.4	+1.0

Chebyshev(coeffs=[[-2.64879,-1.70451,-0.0397015,0.0458148],[8.95803,1.09008,-0.213766,-0.0962418],[0.702514,0.459658,0.0436257,-0.0310909],[-0.031245,0.0641685,0.0523647,0.0028527],[-0.0469043,-0.0588455,0.0253873,0.010861],[0.00624702,-0.0676339,0.00281978,0.00844286]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.37
S298 (cal/mol*K) = -11.35
G298 (kcal/mol) = 22.76

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(710); H(25), C7H10(710); C7H9(5)+H(25)(+M)=>C7H10(710)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.649e+00 -1.705e+00 -3.970e-02 4.581e-02 / CHEB/ 8.958e+00 1.090e+00 -2.138e-01 -9.624e-02 / CHEB/ 7.025e-01 4.597e-01 4.363e-02 -3.109e-02 / CHEB/ -3.124e-02 6.417e-02 5.236e-02 2.853e-03 / CHEB/ -4.690e-02 -5.885e-02 2.539e-02 1.086e-02 / CHEB/ 6.247e-03 -6.763e-02 2.820e-03 8.443e-03 /

4431.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-4.8	-0.4	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-17.3	-5.0	-0.6	+1.8

Chebyshev(coeffs=[[-10.0201,-0.471692,-0.272817,-0.110989],[17.3024,0.191872,0.110491,0.0469744],[0.298396,0.0594321,0.0278051,0.00597735],[0.118961,0.0917898,0.0461873,0.0116375],[0.050657,0.0487565,0.0283594,0.0102987],[0.0156701,0.00214407,0.00420462,0.00375878]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.56
S298 (cal/mol*K) = 24.40
G298 (kcal/mol) = 38.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(711); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(711)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.002e+01 -4.717e-01 -2.728e-01 -1.110e-01 / CHEB/ 1.730e+01 1.919e-01 1.105e-01 4.697e-02 / CHEB/ 2.984e-01 5.943e-02 2.781e-02 5.977e-03 / CHEB/ 1.190e-01 9.179e-02 4.619e-02 1.164e-02 / CHEB/ 5.066e-02 4.876e-02 2.836e-02 1.030e-02 / CHEB/ 1.567e-02 2.144e-03 4.205e-03 3.759e-03 /

4432.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-3.0	+0.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-14.8	-3.3	+0.7	+2.8

Chebyshev(coeffs=[[-7.81927,-0.481302,-0.277982,-0.112731],[16.4525,0.180684,0.104646,0.0452141],[0.0470538,0.0614299,0.0286228,0.00613812],[0.047112,0.095681,0.0477671,0.0117275],[0.0267211,0.0523399,0.0298268,0.0103314],[0.0067859,0.00416465,0.00517226,0.00391328]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.66
S298 (cal/mol*K) = 36.20
G298 (kcal/mol) = 37.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(712); H(25), CH3(423); C7H10(1)+H(25)(+M)=>CH3(423)+C6H8(712)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.819e+00 -4.813e-01 -2.780e-01 -1.127e-01 / CHEB/ 1.645e+01 1.807e-01 1.046e-01 4.521e-02 / CHEB/ 4.705e-02 6.143e-02 2.862e-02 6.138e-03 / CHEB/ 4.711e-02 9.568e-02 4.777e-02 1.173e-02 / CHEB/ 2.672e-02 5.234e-02 2.983e-02 1.033e-02 / CHEB/ 6.786e-03 4.165e-03 5.172e-03 3.913e-03 /

4433.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-6.7	-2.2	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-20.3	-7.0	-2.3	+0.2

Chebyshev(coeffs=[[-13.1112,-0.401359,-0.235751,-0.0983016],[18.9461,0.135095,0.0798735,0.0355589],[0.164107,0.055171,0.024995,0.00439718],[0.0839938,0.0849314,0.044216,0.0126328],[0.0412303,0.0450555,0.0271203,0.010692],[0.0129009,0.00289947,0.00431645,0.0036]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.35
S298 (cal/mol*K) = 24.11
G298 (kcal/mol) = 50.17

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(713); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(713)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.311e+01 -4.014e-01 -2.358e-01 -9.830e-02 / CHEB/ 1.895e+01 1.351e-01 7.987e-02 3.556e-02 / CHEB/ 1.641e-01 5.517e-02 2.500e-02 4.397e-03 / CHEB/ 8.399e-02 8.493e-02 4.422e-02 1.263e-02 / CHEB/ 4.123e-02 4.506e-02 2.712e-02 1.069e-02 / CHEB/ 1.290e-02 2.899e-03 4.316e-03 3.600e-03 /

4434.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.5	-8.9	-3.3	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-25.6	-9.1	-3.4	-0.5

Chebyshev(coeffs=[[-18.1684,-0.265462,-0.160654,-0.0698238],[23.4319,0.0732414,0.0438451,0.0189798],[0.109342,0.039717,0.0173045,0.00179812],[0.064406,0.0578028,0.0327178,0.0120029],[0.0334986,0.0293074,0.0199446,0.0101163],[0.00972897,0.00210149,0.00336138,0.00307323]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.40
S298 (cal/mol*K) = 32.24
G298 (kcal/mol) = 62.80

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(714); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(714)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.817e+01 -2.655e-01 -1.607e-01 -6.982e-02 / CHEB/ 2.343e+01 7.324e-02 4.385e-02 1.898e-02 / CHEB/ 1.093e-01 3.972e-02 1.730e-02 1.798e-03 / CHEB/ 6.441e-02 5.780e-02 3.272e-02 1.200e-02 / CHEB/ 3.350e-02 2.931e-02 1.994e-02 1.012e-02 / CHEB/ 9.729e-03 2.101e-03 3.361e-03 3.073e-03 /

4435.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.4	-8.9	-3.4	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-25.5	-9.1	-3.4	-0.6

Chebyshev(coeffs=[[-18.1144,-0.263351,-0.159484,-0.0694044],[23.3614,0.0720552,0.0432125,0.0187744],[0.0803478,0.0394203,0.0171222,0.00170757],[0.0553952,0.0575455,0.0326043,0.0119899],[0.0302907,0.0291427,0.0198679,0.0101109],[0.0084856,0.00208332,0.00334347,0.00306357]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.40
S298 (cal/mol*K) = 32.70
G298 (kcal/mol) = 62.66

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(715); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(715)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.811e+01 -2.634e-01 -1.595e-01 -6.940e-02 / CHEB/ 2.336e+01 7.206e-02 4.321e-02 1.877e-02 / CHEB/ 8.035e-02 3.942e-02 1.712e-02 1.708e-03 / CHEB/ 5.540e-02 5.755e-02 3.260e-02 1.199e-02 / CHEB/ 3.029e-02 2.914e-02 1.987e-02 1.011e-02 / CHEB/ 8.486e-03 2.083e-03 3.343e-03 3.064e-03 /

4436.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.6	-11.5	-5.0	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-30.7	-11.7	-5.1	-1.8

Chebyshev(coeffs=[[-22.9675,-0.200669,-0.124146,-0.0559662],[26.9044,0.0500074,0.0301844,0.0129598],[0.16758,0.0283081,0.0122824,0.000967187],[0.0722645,0.0422529,0.0250614,0.0102869],[0.0310765,0.0217547,0.0156257,0.00876166],[0.00712597,0.00268847,0.00322207,0.00272329]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.95
S298 (cal/mol*K) = 29.61
G298 (kcal/mol) = 74.13

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(716); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(716)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.297e+01 -2.007e-01 -1.241e-01 -5.597e-02 / CHEB/ 2.690e+01 5.001e-02 3.018e-02 1.296e-02 / CHEB/ 1.676e-01 2.831e-02 1.228e-02 9.672e-04 / CHEB/ 7.226e-02 4.225e-02 2.506e-02 1.029e-02 / CHEB/ 3.108e-02 2.175e-02 1.563e-02 8.762e-03 / CHEB/ 7.126e-03 2.688e-03 3.222e-03 2.723e-03 /

4437.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+1.3	+3.7	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+0.7	+3.4	+4.8

Chebyshev(coeffs=[[0.807721,-1.09521,-0.505526,-0.122006],[9.53132,0.656385,0.255804,0.0276166],[0.398458,0.0834566,0.0489883,0.0198357],[0.0857679,0.110751,0.0475747,0.00733157],[0.00515609,0.0782324,0.0371348,0.00762824],[-0.010518,0.0155853,0.0120698,0.00549638]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.76
S298 (cal/mol*K) = 16.80
G298 (kcal/mol) = -8.76

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(717); H(25), C7H11(717); C7H10(1)+H(25)(+M)=>C7H11(717)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.077e-01 -1.095e+00 -5.055e-01 -1.220e-01 / CHEB/ 9.531e+00 6.564e-01 2.558e-01 2.762e-02 / CHEB/ 3.985e-01 8.346e-02 4.899e-02 1.984e-02 / CHEB/ 8.577e-02 1.108e-01 4.757e-02 7.332e-03 / CHEB/ 5.156e-03 7.823e-02 3.713e-02 7.628e-03 / CHEB/ -1.052e-02 1.559e-02 1.207e-02 5.496e-03 /

4438.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+3.3	+4.8	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+2.6	+4.4	+5.3

Chebyshev(coeffs=[[5.59384,-1.9166,-0.468335,-0.0631277],[5.13401,1.46127,0.0914951,-0.050547],[0.507285,0.0102921,0.122962,0.0226618],[0.0750473,0.0833458,0.0560708,0.0114132],[-0.00105874,0.09978,0.0324156,0.00687698],[-0.0242772,0.0300255,0.0139511,0.00552875]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = 19.21
G298 (kcal/mol) = -9.61

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(718); H(25), C7H11(718); C7H10(1)+H(25)(+M)=>C7H11(718)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.594e+00 -1.917e+00 -4.683e-01 -6.313e-02 / CHEB/ 5.134e+00 1.461e+00 9.150e-02 -5.055e-02 / CHEB/ 5.073e-01 1.029e-02 1.230e-01 2.266e-02 / CHEB/ 7.505e-02 8.335e-02 5.607e-02 1.141e-02 / CHEB/ -1.059e-03 9.978e-02 3.242e-02 6.877e-03 / CHEB/ -2.428e-02 3.003e-02 1.395e-02 5.529e-03 /

4439.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.7	-10.9	-4.6	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-29.8	-11.0	-4.6	-1.4

Chebyshev(coeffs=[[-22.2643,-0.193154,-0.119874,-0.0543417],[26.7495,0.0475244,0.0287264,0.0123422],[0.0358731,0.026804,0.0116387,0.000897924],[0.0322441,0.0403953,0.0241007,0.0100224],[0.0170291,0.0209313,0.0151044,0.00854553],[0.00190878,0.00280121,0.00322116,0.00267603]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.42
S298 (cal/mol*K) = 38.84
G298 (kcal/mol) = 71.84

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(719); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(719)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.226e+01 -1.932e-01 -1.199e-01 -5.434e-02 / CHEB/ 2.675e+01 4.752e-02 2.873e-02 1.234e-02 / CHEB/ 3.587e-02 2.680e-02 1.164e-02 8.979e-04 / CHEB/ 3.224e-02 4.040e-02 2.410e-02 1.002e-02 / CHEB/ 1.703e-02 2.093e-02 1.510e-02 8.546e-03 / CHEB/ 1.909e-03 2.801e-03 3.221e-03 2.676e-03 /

4440.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	+0.0	+2.1	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-0.5	+1.8	+3.0

Chebyshev(coeffs=[[0.885801,-1.40222,-0.535087,-0.0895072],[7.51589,0.955789,0.251182,-0.0187256],[0.5002,0.0637185,0.0679987,0.0280347],[0.09236,0.10093,0.0465233,0.00954421],[0.00901225,0.0863971,0.0367173,0.00627979],[-0.0127894,0.0199262,0.0139511,0.00544898]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -46.24
S298 (cal/mol*K) = -2.86
G298 (kcal/mol) = -45.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(720); H(25), C7H11(720); C7H10(1)+H(25)(+M)=>C7H11(720)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.858e-01 -1.402e+00 -5.351e-01 -8.951e-02 / CHEB/ 7.516e+00 9.558e-01 2.512e-01 -1.873e-02 / CHEB/ 5.002e-01 6.372e-02 6.800e-02 2.803e-02 / CHEB/ 9.236e-02 1.009e-01 4.652e-02 9.544e-03 / CHEB/ 9.012e-03 8.640e-02 3.672e-02 6.280e-03 / CHEB/ -1.279e-02 1.993e-02 1.395e-02 5.449e-03 /

4443.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+4.8	+5.2	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+3.4	+4.2	+4.5

Chebyshev(coeffs=[[8.65876,-2.8947,-0.310226,0.038066],[2.2189,1.23213,-0.167161,-0.0508318],[0.220869,0.465041,0.0281871,-0.0295064],[-0.198142,0.10297,0.0570896,-0.0028632],[-0.111056,0.0134037,0.030761,0.00225732],[-0.0122698,0.0171907,0.00732147,0.000227915]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -99.64
S298 (cal/mol*K) = -53.41
G298 (kcal/mol) = -83.73

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(496); C2H3(100), C7H10(496); C5H7(210)+C2H3(100)(+M)=>C7H10(496)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.659e+00 -2.895e+00 -3.102e-01 3.807e-02 / CHEB/ 2.219e+00 1.232e+00 -1.672e-01 -5.083e-02 / CHEB/ 2.209e-01 4.650e-01 2.819e-02 -2.951e-02 / CHEB/ -1.981e-01 1.030e-01 5.709e-02 -2.863e-03 / CHEB/ -1.111e-01 1.340e-02 3.076e-02 2.257e-03 / CHEB/ -1.227e-02 1.719e-02 7.321e-03 2.279e-04 /

4444.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+1.3	+3.2	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-7.3	+0.3	+2.7	+3.5

Chebyshev(coeffs=[[1.09429,-2.376,-0.377426,0.0227021],[8.37979,1.49549,-0.054543,-0.0858163],[0.490201,0.408929,0.11016,-0.0251412],[-0.189416,-0.0116635,0.0765375,0.0108545],[-0.143703,-0.0464336,0.0158222,0.0136948],[-0.0408104,0.00842416,-0.00645751,0.00306105]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.91
S298 (cal/mol*K) = -3.93
G298 (kcal/mol) = 17.08

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C6H7(497); C2H3(100), CH3(423); C5H7(210)+C2H3(100)(+M)=>C6H7(497)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.094e+00 -2.376e+00 -3.774e-01 2.270e-02 / CHEB/ 8.380e+00 1.495e+00 -5.454e-02 -8.582e-02 / CHEB/ 4.902e-01 4.089e-01 1.102e-01 -2.514e-02 / CHEB/ -1.894e-01 -1.166e-02 7.654e-02 1.085e-02 / CHEB/ -1.437e-01 -4.643e-02 1.582e-02 1.369e-02 / CHEB/ -4.081e-02 8.424e-03 -6.458e-03 3.061e-03 /

4445.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-2.9	-0.5	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-3.7	-1.0	+0.1

Chebyshev(coeffs=[[-4.16205,-2.2707,-0.394916,0.0199646],[10.1878,1.48555,-0.0208917,-0.0902316],[0.497338,0.381124,0.120541,-0.0221106],[-0.159179,-0.0272385,0.071964,0.0150235],[-0.131541,-0.0480322,0.00999848,0.0147756],[-0.0355762,0.0111928,-0.00763831,0.00174628]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.05
S298 (cal/mol*K) = -13.88
G298 (kcal/mol) = 27.18

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(498); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(498)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.162e+00 -2.271e+00 -3.949e-01 1.996e-02 / CHEB/ 1.019e+01 1.486e+00 -2.089e-02 -9.023e-02 / CHEB/ 4.973e-01 3.811e-01 1.205e-01 -2.211e-02 / CHEB/ -1.592e-01 -2.724e-02 7.196e-02 1.502e-02 / CHEB/ -1.315e-01 -4.803e-02 9.998e-03 1.478e-02 / CHEB/ -3.558e-02 1.119e-02 -7.638e-03 1.746e-03 /

4446.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-0.4	+2.0	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-1.1	+1.6	+2.7

Chebyshev(coeffs=[[-2.68187,-2.09472,-0.421572,0.0146604],[11.6129,1.45227,0.0369159,-0.0963937],[0.188895,0.329396,0.133148,-0.0143423],[-0.212007,-0.0485259,0.06043,0.0219444],[-0.138175,-0.0463973,0.00100053,0.0142403],[-0.0342514,0.0159206,-0.00801381,-0.00108517]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.20
S298 (cal/mol*K) = 2.13
G298 (kcal/mol) = 30.56

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C4H5(99); C2H3(100), C3H5(489); C5H7(210)+C2H3(100)(+M)=>C4H5(99)+C3H5(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.682e+00 -2.095e+00 -4.216e-01 1.466e-02 / CHEB/ 1.161e+01 1.452e+00 3.692e-02 -9.639e-02 / CHEB/ 1.889e-01 3.294e-01 1.331e-01 -1.434e-02 / CHEB/ -2.120e-01 -4.853e-02 6.043e-02 2.194e-02 / CHEB/ -1.382e-01 -4.640e-02 1.001e-03 1.424e-02 / CHEB/ -3.425e-02 1.592e-02 -8.014e-03 -1.085e-03 /

4447.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+1.1	+2.8	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-6.8	+0.0	+2.2	+3.1

Chebyshev(coeffs=[[1.83724,-2.51119,-0.354196,0.0258218],[6.99775,1.493,-0.0960757,-0.0789482],[0.690611,0.439661,0.0947491,-0.0281509],[-0.169919,0.0124126,0.0788848,0.00633019],[-0.133779,-0.0408725,0.0230555,0.0110977],[-0.0369628,0.00518771,-0.00374522,0.00379232]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.82
S298 (cal/mol*K) = -13.23
G298 (kcal/mol) = 10.76

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(499); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(499)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.837e+00 -2.511e+00 -3.542e-01 2.582e-02 / CHEB/ 6.998e+00 1.493e+00 -9.608e-02 -7.895e-02 / CHEB/ 6.906e-01 4.397e-01 9.475e-02 -2.815e-02 / CHEB/ -1.699e-01 1.241e-02 7.888e-02 6.330e-03 / CHEB/ -1.338e-01 -4.087e-02 2.306e-02 1.110e-02 / CHEB/ -3.696e-02 5.188e-03 -3.745e-03 3.792e-03 /

4448.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-0.4	+2.0	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-1.1	+1.6	+2.7

Chebyshev(coeffs=[[-2.6819,-2.09472,-0.421571,0.0146605],[11.6129,1.45227,0.0369149,-0.0963936],[0.188902,0.329397,0.133148,-0.0143424],[-0.212006,-0.0485256,0.0604303,0.0219443],[-0.138175,-0.0463973,0.00100067,0.0142403],[-0.0342514,0.0159205,-0.00801382,-0.00108512]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.20
S298 (cal/mol*K) = 2.13
G298 (kcal/mol) = 30.56

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C5H7(494); C2H3(100), C2H3(100); C5H7(210)+C2H3(100)(+M)=>C2H3(100)+C5H7(494)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.682e+00 -2.095e+00 -4.216e-01 1.466e-02 / CHEB/ 1.161e+01 1.452e+00 3.691e-02 -9.639e-02 / CHEB/ 1.889e-01 3.294e-01 1.331e-01 -1.434e-02 / CHEB/ -2.120e-01 -4.853e-02 6.043e-02 2.194e-02 / CHEB/ -1.382e-01 -4.640e-02 1.001e-03 1.424e-02 / CHEB/ -3.425e-02 1.592e-02 -8.014e-03 -1.085e-03 /

4449.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.3	-0.3	+1.8	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-1.3	+1.2	+2.2

Chebyshev(coeffs=[[-0.482784,-2.41079,-0.371486,0.0235541],[8.4545,1.49678,-0.0654441,-0.0842199],[0.638,0.417412,0.106397,-0.0259674],[-0.156126,-0.00595517,0.0775534,0.00958182],[-0.132474,-0.0454145,0.0177401,0.0131343],[-0.0369059,0.00754102,-0.00589105,0.00336645]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.85
S298 (cal/mol*K) = -14.98
G298 (kcal/mol) = 18.31

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(500); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(500)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.828e-01 -2.411e+00 -3.715e-01 2.355e-02 / CHEB/ 8.455e+00 1.497e+00 -6.544e-02 -8.422e-02 / CHEB/ 6.380e-01 4.174e-01 1.064e-01 -2.597e-02 / CHEB/ -1.561e-01 -5.955e-03 7.755e-02 9.582e-03 / CHEB/ -1.325e-01 -4.541e-02 1.774e-02 1.313e-02 / CHEB/ -3.691e-02 7.541e-03 -5.891e-03 3.366e-03 /

4450.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.3	-0.3	+1.8	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-1.3	+1.2	+2.2

H298 (kcal/mol) = 13.85
S298 (cal/mol*K) = -14.98
G298 (kcal/mol) = 18.31

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(501); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(501)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.828e-01 -2.411e+00 -3.715e-01 2.355e-02 / CHEB/ 8.455e+00 1.497e+00 -6.544e-02 -8.422e-02 / CHEB/ 6.380e-01 4.174e-01 1.064e-01 -2.597e-02 / CHEB/ -1.561e-01 -5.955e-03 7.755e-02 9.582e-03 / CHEB/ -1.325e-01 -4.541e-02 1.774e-02 1.313e-02 / CHEB/ -3.691e-02 7.541e-03 -5.891e-03 3.366e-03 /

4451.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+0.4	+2.3	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-0.5	+1.7	+2.5

Chebyshev(coeffs=[[0.908017,-2.46542,-0.362074,0.0248266],[7.46224,1.49632,-0.0822963,-0.0814974],[0.624456,0.429929,0.100211,-0.0271748],[-0.17648,0.00366419,0.0785856,0.00773209],[-0.137898,-0.0432582,0.0206869,0.0120913],[-0.0386914,0.00621298,-0.00481696,0.0036861]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.02
S298 (cal/mol*K) = -13.12
G298 (kcal/mol) = 13.92

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(502); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(502)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.080e-01 -2.465e+00 -3.621e-01 2.483e-02 / CHEB/ 7.462e+00 1.496e+00 -8.230e-02 -8.150e-02 / CHEB/ 6.245e-01 4.299e-01 1.002e-01 -2.717e-02 / CHEB/ -1.765e-01 3.664e-03 7.859e-02 7.732e-03 / CHEB/ -1.379e-01 -4.326e-02 2.069e-02 1.209e-02 / CHEB/ -3.869e-02 6.213e-03 -4.817e-03 3.686e-03 /

4452.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-2.2	+0.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-3.1	-0.2	+1.0

Chebyshev(coeffs=[[-3.86933,-2.23374,-0.400824,0.018945],[10.7454,1.48017,-0.0088785,-0.0916666],[0.485894,0.370731,0.123737,-0.0207884],[-0.153753,-0.0321717,0.0698949,0.0165376],[-0.128134,-0.0481088,0.00800029,0.0149094],[-0.033773,0.0121891,-0.00787381,0.00118372]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.25
S298 (cal/mol*K) = -14.30
G298 (kcal/mol) = 29.51

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(503); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(503)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.869e+00 -2.234e+00 -4.008e-01 1.895e-02 / CHEB/ 1.075e+01 1.480e+00 -8.878e-03 -9.167e-02 / CHEB/ 4.859e-01 3.707e-01 1.237e-01 -2.079e-02 / CHEB/ -1.538e-01 -3.217e-02 6.989e-02 1.654e-02 / CHEB/ -1.281e-01 -4.811e-02 8.000e-03 1.491e-02 / CHEB/ -3.377e-02 1.219e-02 -7.874e-03 1.184e-03 /

4453.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+0.9	+2.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-5.4	-0.3	+1.4	+2.0

Chebyshev(coeffs=[[3.15972,-2.67406,-0.329311,0.0295374],[4.69672,1.44068,-0.138107,-0.0678938],[0.668517,0.470795,0.0702006,-0.030975],[-0.177232,0.0492796,0.0756142,0.00189336],[-0.130459,-0.0263606,0.0300345,0.00715657],[-0.0324016,0.0034502,0.00116911,0.00298772]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.06
S298 (cal/mol*K) = -32.47
G298 (kcal/mol) = -5.39

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(362); C2H3(100), C7H10(362); C5H7(210)+C2H3(100)(+M)=>C7H10(362)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.160e+00 -2.674e+00 -3.293e-01 2.954e-02 / CHEB/ 4.697e+00 1.441e+00 -1.381e-01 -6.789e-02 / CHEB/ 6.685e-01 4.708e-01 7.020e-02 -3.098e-02 / CHEB/ -1.772e-01 4.928e-02 7.561e-02 1.893e-03 / CHEB/ -1.305e-01 -2.636e-02 3.003e-02 7.157e-03 / CHEB/ -3.240e-02 3.450e-03 1.169e-03 2.988e-03 /

4454.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	+0.8	+2.5	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-0.3	+1.9	+2.6

Chebyshev(coeffs=[[2.08425,-2.58584,-0.341422,0.0273175],[6.2225,1.48044,-0.11734,-0.0741263],[0.80296,0.454455,0.0851028,-0.0296606],[-0.160434,0.0279629,0.0783078,0.00432887],[-0.137371,-0.0355261,0.0266239,0.00932587],[-0.062151,0.00434127,-0.00171503,0.0036084]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.06
S298 (cal/mol*K) = -32.47
G298 (kcal/mol) = -5.39

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(361); C2H3(100), C7H10(361); C5H7(210)+C2H3(100)(+M)=>C7H10(361)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.084e+00 -2.586e+00 -3.414e-01 2.732e-02 / CHEB/ 6.223e+00 1.480e+00 -1.173e-01 -7.413e-02 / CHEB/ 8.030e-01 4.545e-01 8.510e-02 -2.966e-02 / CHEB/ -1.604e-01 2.796e-02 7.831e-02 4.329e-03 / CHEB/ -1.374e-01 -3.553e-02 2.662e-02 9.326e-03 / CHEB/ -6.215e-02 4.341e-03 -1.715e-03 3.608e-03 /

4455.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	-0.3	+0.8	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-1.5	+0.1	+0.6

Chebyshev(coeffs=[[2.335,-2.7099,-0.325167,0.0306476],[4.14978,1.41689,-0.144876,-0.065245],[0.609065,0.476052,0.0633368,-0.0312045],[-0.179378,0.0586753,0.073781,0.000924889],[-0.130251,-0.021467,0.0310571,0.00627654],[-0.0310106,0.00393876,0.00238007,0.00261059]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.02
S298 (cal/mol*K) = -35.09
G298 (kcal/mol) = -4.56

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(504); C2H3(100), C7H10(504); C5H7(210)+C2H3(100)(+M)=>C7H10(504)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.335e+00 -2.710e+00 -3.252e-01 3.065e-02 / CHEB/ 4.150e+00 1.417e+00 -1.449e-01 -6.525e-02 / CHEB/ 6.091e-01 4.761e-01 6.334e-02 -3.120e-02 / CHEB/ -1.794e-01 5.868e-02 7.378e-02 9.249e-04 / CHEB/ -1.303e-01 -2.147e-02 3.106e-02 6.277e-03 / CHEB/ -3.101e-02 3.939e-03 2.380e-03 2.611e-03 /

4456.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+0.1	+1.1	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-5.5	-1.2	+0.3	+0.8

Chebyshev(coeffs=[[3.01791,-2.77071,-0.319263,0.0328267],[3.69243,1.36647,-0.154303,-0.0606454],[0.566999,0.480618,0.0512734,-0.0311682],[-0.158499,0.0750581,0.0694653,-0.000614386],[-0.118989,-0.0115535,0.032079,0.00482381],[-0.0244881,0.00607783,0.0043557,0.00188288]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.95
S298 (cal/mol*K) = -40.58
G298 (kcal/mol) = -18.86

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(491); C2H3(100), C7H10(491); C5H7(210)+C2H3(100)(+M)=>C7H10(491)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.018e+00 -2.771e+00 -3.193e-01 3.283e-02 / CHEB/ 3.692e+00 1.366e+00 -1.543e-01 -6.065e-02 / CHEB/ 5.670e-01 4.806e-01 5.127e-02 -3.117e-02 / CHEB/ -1.585e-01 7.506e-02 6.947e-02 -6.144e-04 / CHEB/ -1.190e-01 -1.155e-02 3.208e-02 4.824e-03 / CHEB/ -2.449e-02 6.078e-03 4.356e-03 1.883e-03 /

4457.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+1.0	+2.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-5.4	-0.2	+1.5	+2.2

Chebyshev(coeffs=[[3.32164,-2.68585,-0.323759,0.0295064],[4.60436,1.4487,-0.139498,-0.0669556],[0.740677,0.484882,0.0689056,-0.0313899],[-0.143895,0.0557946,0.0765181,0.00163697],[-0.121967,-0.0258652,0.0312287,0.00702191],[-0.0297851,0.0018179,0.00171804,0.00293261]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.46
S298 (cal/mol*K) = -31.72
G298 (kcal/mol) = -10.01

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(373); C2H3(100), C7H10(373); C5H7(210)+C2H3(100)(+M)=>C7H10(373)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.322e+00 -2.686e+00 -3.238e-01 2.951e-02 / CHEB/ 4.604e+00 1.449e+00 -1.395e-01 -6.696e-02 / CHEB/ 7.407e-01 4.849e-01 6.891e-02 -3.139e-02 / CHEB/ -1.439e-01 5.579e-02 7.652e-02 1.637e-03 / CHEB/ -1.220e-01 -2.587e-02 3.123e-02 7.022e-03 / CHEB/ -2.979e-02 1.818e-03 1.718e-03 2.933e-03 /

4458.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	-0.1	+0.8	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-1.4	+0.0	+0.5

Chebyshev(coeffs=[[2.84695,-2.77071,-0.319263,0.0328267],[3.62568,1.36647,-0.154303,-0.0606454],[0.552259,0.480618,0.0512734,-0.0311682],[-0.162839,0.0750581,0.0694653,-0.000614386],[-0.120426,-0.0115535,0.032079,0.00482381],[-0.0249943,0.00607783,0.0043557,0.00188288]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.95
S298 (cal/mol*K) = -40.58
G298 (kcal/mol) = -18.86

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(487); C2H3(100), C7H10(487); C5H7(210)+C2H3(100)(+M)=>C7H10(487)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.847e+00 -2.771e+00 -3.193e-01 3.283e-02 / CHEB/ 3.626e+00 1.366e+00 -1.543e-01 -6.065e-02 / CHEB/ 5.523e-01 4.806e-01 5.127e-02 -3.117e-02 / CHEB/ -1.628e-01 7.506e-02 6.947e-02 -6.144e-04 / CHEB/ -1.204e-01 -1.155e-02 3.208e-02 4.824e-03 / CHEB/ -2.499e-02 6.078e-03 4.356e-03 1.883e-03 /

4459.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+1.4	+2.1	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+0.1	+1.3	+1.6

Chebyshev(coeffs=[[4.67386,-2.79031,-0.317611,0.0335965],[3.09199,1.34779,-0.156857,-0.0591317],[0.442311,0.48056,0.0474047,-0.0310438],[-0.183942,0.0802195,0.0677716,-0.00106246],[-0.125055,-0.0079433,0.0321802,0.00437514],[-0.0256039,0.00719422,0.00494271,0.00163214]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.26
S298 (cal/mol*K) = -36.14
G298 (kcal/mol) = -16.49

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(486); C2H3(100), C7H10(486); C5H7(210)+C2H3(100)(+M)=>C7H10(486)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.674e+00 -2.790e+00 -3.176e-01 3.360e-02 / CHEB/ 3.092e+00 1.348e+00 -1.569e-01 -5.913e-02 / CHEB/ 4.423e-01 4.806e-01 4.740e-02 -3.104e-02 / CHEB/ -1.839e-01 8.022e-02 6.777e-02 -1.062e-03 / CHEB/ -1.251e-01 -7.943e-03 3.218e-02 4.375e-03 / CHEB/ -2.560e-02 7.194e-03 4.943e-03 1.632e-03 /

4460.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+3.8	+4.5	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+2.5	+3.6	+4.0

Chebyshev(coeffs=[[7.20657,-2.82541,-0.314049,0.0349871],[2.93774,1.31453,-0.1604,-0.0563966],[0.423349,0.481916,0.0407555,-0.0307988],[-0.173734,0.0911972,0.0646352,-0.00185373],[-0.124577,-0.000524919,0.0322405,0.00361084],[-0.0120617,0.00914452,0.00601445,0.00120608]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -73.18
S298 (cal/mol*K) = -41.28
G298 (kcal/mol) = -60.88

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(481); C2H3(100), C7H10(481); C5H7(210)+C2H3(100)(+M)=>C7H10(481)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.207e+00 -2.825e+00 -3.140e-01 3.499e-02 / CHEB/ 2.938e+00 1.315e+00 -1.604e-01 -5.640e-02 / CHEB/ 4.233e-01 4.819e-01 4.076e-02 -3.080e-02 / CHEB/ -1.737e-01 9.120e-02 6.464e-02 -1.854e-03 / CHEB/ -1.246e-01 -5.249e-04 3.224e-02 3.611e-03 / CHEB/ -1.206e-02 9.145e-03 6.014e-03 1.206e-03 /

4461.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+2.5	+3.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+1.2	+2.6	+3.1

Chebyshev(coeffs=[[5.41832,-2.75384,-0.320774,0.0321886],[3.65667,1.38164,-0.151926,-0.0619357],[0.548169,0.480025,0.0546278,-0.0312316],[-0.173721,0.0705293,0.0708108,-0.000207264],[-0.125676,-0.0145049,0.0318986,0.00521894],[-0.027625,0.00529424,0.00382673,0.00209326]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.18
S298 (cal/mol*K) = -33.48
G298 (kcal/mol) = -14.20

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(505); C2H3(100), C7H10(505); C5H7(210)+C2H3(100)(+M)=>C7H10(505)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.418e+00 -2.754e+00 -3.208e-01 3.219e-02 / CHEB/ 3.657e+00 1.382e+00 -1.519e-01 -6.194e-02 / CHEB/ 5.482e-01 4.800e-01 5.463e-02 -3.123e-02 / CHEB/ -1.737e-01 7.053e-02 7.081e-02 -2.073e-04 / CHEB/ -1.257e-01 -1.450e-02 3.190e-02 5.219e-03 / CHEB/ -2.763e-02 5.294e-03 3.827e-03 2.093e-03 /

4462.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+2.8	+4.1	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+2.7	+4.4	+5.1

Chebyshev(coeffs=[[4.51755,-0.680646,-0.378135,0.00708725],[5.48852,1.54376,-0.0827447,-0.0530749],[0.543959,0.460726,0.0804538,-0.029242],[-0.231851,0.0385152,0.0792187,0.00353259],[-0.0973825,-0.0396712,0.0241442,0.00673746],[-0.0116256,0.00168362,-0.00168716,0.00295006]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.15
S298 (cal/mol*K) = -13.58
G298 (kcal/mol) = 0.89

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(506); C2H3(100), C7H10(506); C5H7(210)+C2H3(100)(+M)=>C7H10(506)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.518e+00 -6.806e-01 -3.781e-01 7.087e-03 / CHEB/ 5.489e+00 1.544e+00 -8.274e-02 -5.307e-02 / CHEB/ 5.440e-01 4.607e-01 8.045e-02 -2.924e-02 / CHEB/ -2.319e-01 3.852e-02 7.922e-02 3.533e-03 / CHEB/ -9.738e-02 -3.967e-02 2.414e-02 6.737e-03 / CHEB/ -1.163e-02 1.684e-03 -1.687e-03 2.950e-03 /

4463.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+2.8	+4.1	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+2.7	+4.4	+5.1

H298 (kcal/mol) = -3.15
S298 (cal/mol*K) = -13.58
G298 (kcal/mol) = 0.89

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(507); C2H3(100), C7H10(507); C5H7(210)+C2H3(100)(+M)=>C7H10(507)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.518e+00 -6.806e-01 -3.781e-01 7.087e-03 / CHEB/ 5.489e+00 1.544e+00 -8.274e-02 -5.307e-02 / CHEB/ 5.440e-01 4.607e-01 8.045e-02 -2.924e-02 / CHEB/ -2.319e-01 3.852e-02 7.922e-02 3.533e-03 / CHEB/ -9.738e-02 -3.967e-02 2.414e-02 6.737e-03 / CHEB/ -1.163e-02 1.684e-03 -1.687e-03 2.950e-03 /

4464.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+1.0	+2.1	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-4.0	-0.3	+1.4	+2.6

Chebyshev(coeffs=[[4.46437,-2.67516,-0.287747,0.0357373],[3.38185,1.54131,-0.093774,-0.0558601],[0.677737,0.623008,0.100284,-0.0287042],[0.00132035,0.178899,0.10169,-0.00151657],[0.022102,0.0542226,0.0477175,0.000793059],[0.079789,0.0404304,0.00766224,-0.00388412]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.12
S298 (cal/mol*K) = -34.32
G298 (kcal/mol) = -16.89

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(508); C2H3(100), C7H10(508); C5H7(210)+C2H3(100)(+M)=>C7H10(508)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.464e+00 -2.675e+00 -2.877e-01 3.574e-02 / CHEB/ 3.382e+00 1.541e+00 -9.377e-02 -5.586e-02 / CHEB/ 6.777e-01 6.230e-01 1.003e-01 -2.870e-02 / CHEB/ 1.320e-03 1.789e-01 1.017e-01 -1.517e-03 / CHEB/ 2.210e-02 5.422e-02 4.772e-02 7.931e-04 / CHEB/ 7.979e-02 4.043e-02 7.662e-03 -3.884e-03 /

4465.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+0.7	+2.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-0.4	+1.6	+2.3

Chebyshev(coeffs=[[2.21205,-2.59731,-0.340012,0.0276126],[5.86786,1.47559,-0.120298,-0.0733912],[0.731882,0.45667,0.0831794,-0.0299009],[-0.171776,0.0307458,0.0780196,0.00396464],[-0.130243,-0.0346154,0.0271199,0.00904853],[-0.0346132,0.00371548,-0.00133313,0.0035845]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.44
S298 (cal/mol*K) = -36.40
G298 (kcal/mol) = 6.40

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(509); C2H3(100), C7H10(509); C5H7(210)+C2H3(100)(+M)=>C7H10(509)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.212e+00 -2.597e+00 -3.400e-01 2.761e-02 / CHEB/ 5.868e+00 1.476e+00 -1.203e-01 -7.339e-02 / CHEB/ 7.319e-01 4.567e-01 8.318e-02 -2.990e-02 / CHEB/ -1.718e-01 3.075e-02 7.802e-02 3.965e-03 / CHEB/ -1.302e-01 -3.462e-02 2.712e-02 9.049e-03 / CHEB/ -3.461e-02 3.715e-03 -1.333e-03 3.584e-03 /

4466.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.0	+2.3	+2.7	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+1.8	+2.5	+2.5

Chebyshev(coeffs=[[6.27456,-1.0023,-0.312911,0.0382779],[1.87397,1.10648,-0.172261,-0.0422684],[0.285709,0.420189,0.0104867,-0.0282838],[-0.223843,0.108459,0.045987,-0.00343592],[-0.193992,0.0310294,0.0273924,0.0012301],[-0.0650079,0.0306153,0.00815482,-0.000850545]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.63
S298 (cal/mol*K) = -47.54
G298 (kcal/mol) = -54.47

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(510); C2H3(100), C7H10(510); C5H7(210)+C2H3(100)(+M)=>C7H10(510)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.275e+00 -1.002e+00 -3.129e-01 3.828e-02 / CHEB/ 1.874e+00 1.106e+00 -1.723e-01 -4.227e-02 / CHEB/ 2.857e-01 4.202e-01 1.049e-02 -2.828e-02 / CHEB/ -2.238e-01 1.085e-01 4.599e-02 -3.436e-03 / CHEB/ -1.940e-01 3.103e-02 2.739e-02 1.230e-03 / CHEB/ -6.501e-02 3.062e-02 8.155e-03 -8.505e-04 /

4467.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+5.4	+5.6	+5.5
log₁₀(k(10 bar)/[mole,m,s])	+1.4	+4.0	+4.6	+4.7

Chebyshev(coeffs=[[9.39861,-2.93237,-0.307936,0.0397761],[1.91039,1.18484,-0.169696,-0.0477548],[0.120543,0.452841,0.022085,-0.0286178],[-0.215522,0.108029,0.0529071,-0.00323706],[-0.10893,0.0212102,0.0295594,0.00163141],[-0.00720147,0.0223501,0.00780778,-0.000290058]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.58
S298 (cal/mol*K) = -45.69
G298 (kcal/mol) = -55.97

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(511); C2H3(100), C7H10(511); C5H7(210)+C2H3(100)(+M)=>C7H10(511)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.399e+00 -2.932e+00 -3.079e-01 3.978e-02 / CHEB/ 1.910e+00 1.185e+00 -1.697e-01 -4.775e-02 / CHEB/ 1.205e-01 4.528e-01 2.209e-02 -2.862e-02 / CHEB/ -2.155e-01 1.080e-01 5.291e-02 -3.237e-03 / CHEB/ -1.089e-01 2.121e-02 2.956e-02 1.631e-03 / CHEB/ -7.201e-03 2.235e-02 7.808e-03 -2.901e-04 /

4494.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+3.0	+3.8	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+0.4	+2.6	+3.7	+4.2

Chebyshev(coeffs=[[7.24972,-1.1619,-0.448276,-0.0744858],[2.34662,0.866771,0.211736,-0.0324537],[0.510993,0.145248,0.13599,0.0498322],[0.0918831,0.0634384,0.0405914,0.0218981],[-0.00676019,0.0243102,0.00822723,0.00318133],[-0.0314591,-0.0109909,-0.00146904,0.00145291]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.99
S298 (cal/mol*K) = -17.38
G298 (kcal/mol) = -15.81

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(602); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(602)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.250e+00 -1.162e+00 -4.483e-01 -7.449e-02 / CHEB/ 2.347e+00 8.668e-01 2.117e-01 -3.245e-02 / CHEB/ 5.110e-01 1.452e-01 1.360e-01 4.983e-02 / CHEB/ 9.188e-02 6.344e-02 4.059e-02 2.190e-02 / CHEB/ -6.760e-03 2.431e-02 8.227e-03 3.181e-03 / CHEB/ -3.146e-02 -1.099e-02 -1.469e-03 1.453e-03 /

4495.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-1.1	+1.0	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-1.3	+0.9	+2.0

Chebyshev(coeffs=[[-0.643532,-0.652058,-0.343495,-0.109623],[8.31229,0.511497,0.228697,0.0395362],[0.35576,0.0465316,0.0564832,0.0411805],[0.0452565,0.0507546,0.0277849,0.0118867],[-0.022018,0.0196907,0.00972789,0.00225436],[-0.0295333,-0.010948,-0.00442577,-0.000293436]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.34
S298 (cal/mol*K) = -0.87
G298 (kcal/mol) = 21.59

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(721); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>CH3(423)+C6H8(721)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.435e-01 -6.521e-01 -3.435e-01 -1.096e-01 / CHEB/ 8.312e+00 5.115e-01 2.287e-01 3.954e-02 / CHEB/ 3.558e-01 4.653e-02 5.648e-02 4.118e-02 / CHEB/ 4.526e-02 5.075e-02 2.778e-02 1.189e-02 / CHEB/ -2.202e-02 1.969e-02 9.728e-03 2.254e-03 / CHEB/ -2.953e-02 -1.095e-02 -4.426e-03 -2.934e-04 /

4496.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.7	+1.1	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-1.9	+1.0	+2.4

Chebyshev(coeffs=[[-2.36248,-0.590208,-0.321693,-0.110359],[10.2116,0.459634,0.21743,0.0463672],[0.496865,0.0409323,0.0486025,0.0370148],[0.0988574,0.0502849,0.0277186,0.0112644],[-0.00167478,0.0185744,0.00961562,0.00256401],[-0.0215451,-0.0108142,-0.00468602,-0.000526689]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.41
S298 (cal/mol*K) = 3.55
G298 (kcal/mol) = 26.35

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H4(722); C2H4(72), C3H7(431); C5H7(210)+C2H4(72)(+M)=>C3H7(431)+C4H4(722)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.362e+00 -5.902e-01 -3.217e-01 -1.104e-01 / CHEB/ 1.021e+01 4.596e-01 2.174e-01 4.637e-02 / CHEB/ 4.969e-01 4.093e-02 4.860e-02 3.701e-02 / CHEB/ 9.886e-02 5.028e-02 2.772e-02 1.126e-02 / CHEB/ -1.675e-03 1.857e-02 9.616e-03 2.564e-03 / CHEB/ -2.155e-02 -1.081e-02 -4.686e-03 -5.267e-04 /

4497.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-4.0	-1.5	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-4.2	-1.6	-0.2

Chebyshev(coeffs=[[-4.11201,-0.681405,-0.361367,-0.116824],[9.28066,0.531211,0.241077,0.0443609],[0.532093,0.0483483,0.0574379,0.0419223],[0.103531,0.0547946,0.0295909,0.0119373],[-0.000500407,0.0210279,0.0105395,0.00258838],[-0.0228796,-0.0114952,-0.00464819,-0.000265005]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.03
S298 (cal/mol*K) = -14.38
G298 (kcal/mol) = 27.31

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(599); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(599)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.112e+00 -6.814e-01 -3.614e-01 -1.168e-01 / CHEB/ 9.281e+00 5.312e-01 2.411e-01 4.436e-02 / CHEB/ 5.321e-01 4.835e-02 5.744e-02 4.192e-02 / CHEB/ 1.035e-01 5.479e-02 2.959e-02 1.194e-02 / CHEB/ -5.004e-04 2.103e-02 1.054e-02 2.588e-03 / CHEB/ -2.288e-02 -1.150e-02 -4.648e-03 -2.650e-04 /

4498.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.4	+4.5	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.9	+4.3	+4.5

Chebyshev(coeffs=[[9.34687,-1.22716,-0.456637,-0.068768],[0.975396,0.832555,0.180851,-0.0397359],[0.159773,0.188787,0.14157,0.0399517],[0.0310952,0.0865877,0.0506631,0.0213894],[-0.0153671,0.0288516,0.0115633,0.00484118],[-0.0342009,-0.010704,6.38779e-06,0.00270716]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.98
S298 (cal/mol*K) = -50.00
G298 (kcal/mol) = -44.08

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(723); C2H4(72), C7H11(723); C5H7(210)+C2H4(72)(+M)=>C7H11(723)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.347e+00 -1.227e+00 -4.566e-01 -6.877e-02 / CHEB/ 9.754e-01 8.326e-01 1.809e-01 -3.974e-02 / CHEB/ 1.598e-01 1.888e-01 1.416e-01 3.995e-02 / CHEB/ 3.110e-02 8.659e-02 5.066e-02 2.139e-02 / CHEB/ -1.537e-02 2.885e-02 1.156e-02 4.841e-03 / CHEB/ -3.420e-02 -1.070e-02 6.388e-06 2.707e-03 /

4499.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-6.4	-3.1	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-6.6	-3.1	-1.4

Chebyshev(coeffs=[[-9.26782,-0.410878,-0.245111,-0.101796],[13.5228,0.310173,0.169552,0.0562451],[0.272051,0.0260304,0.0284488,0.0231719],[0.0615936,0.0458757,0.0263751,0.0103845],[-0.00459085,0.0146908,0.00866865,0.00339053],[-0.0191091,-0.00959185,-0.00494363,-0.00129117]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.99
S298 (cal/mol*K) = -5.46
G298 (kcal/mol) = 41.61

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(724); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(724)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.268e+00 -4.109e-01 -2.451e-01 -1.018e-01 / CHEB/ 1.352e+01 3.102e-01 1.696e-01 5.625e-02 / CHEB/ 2.721e-01 2.603e-02 2.845e-02 2.317e-02 / CHEB/ 6.159e-02 4.588e-02 2.638e-02 1.038e-02 / CHEB/ -4.591e-03 1.469e-02 8.669e-03 3.391e-03 / CHEB/ -1.911e-02 -9.592e-03 -4.944e-03 -1.291e-03 /

4500.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.1	-13.4	-7.1	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-32.1	-13.4	-7.2	-4.1

Chebyshev(coeffs=[[-24.5604,-0.0956314,-0.0648892,-0.0345077],[26.4874,0.0481956,0.0325147,0.0171163],[0.00979712,0.0170928,0.0115995,0.00616976],[0.00505864,0.01938,0.0129646,0.00672335],[-0.00652827,0.00346109,0.00244397,0.00138793],[-0.0100371,-0.00366215,-0.00236987,-0.0011539]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.30
S298 (cal/mol*K) = 2.32
G298 (kcal/mol) = 75.61

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H9(725); C2H4(72), C2H2(726); C5H7(210)+C2H4(72)(+M)=>C5H9(725)+C2H2(726)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.456e+01 -9.563e-02 -6.489e-02 -3.451e-02 / CHEB/ 2.649e+01 4.820e-02 3.251e-02 1.712e-02 / CHEB/ 9.797e-03 1.709e-02 1.160e-02 6.170e-03 / CHEB/ 5.059e-03 1.938e-02 1.296e-02 6.723e-03 / CHEB/ -6.528e-03 3.461e-03 2.444e-03 1.388e-03 / CHEB/ -1.004e-02 -3.662e-03 -2.370e-03 -1.154e-03 /

4501.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+1.6	+2.0	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-0.3	+1.2	+1.8	+2.1

Chebyshev(coeffs=[[6.35025,-1.17811,-0.447801,-0.0722181],[1.45364,0.841116,0.193817,-0.0359969],[0.294107,0.161203,0.137209,0.0449195],[0.0455636,0.0715122,0.044663,0.0220393],[-0.0175672,0.0262397,0.00962025,0.00395012],[-0.0354694,-0.0100791,-0.000661631,0.00190901]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.12
S298 (cal/mol*K) = -34.38
G298 (kcal/mol) = -42.88

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(727); C2H4(72), C7H11(727); C5H7(210)+C2H4(72)(+M)=>C7H11(727)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.350e+00 -1.178e+00 -4.478e-01 -7.222e-02 / CHEB/ 1.454e+00 8.411e-01 1.938e-01 -3.600e-02 / CHEB/ 2.941e-01 1.612e-01 1.372e-01 4.492e-02 / CHEB/ 4.556e-02 7.151e-02 4.466e-02 2.204e-02 / CHEB/ -1.757e-02 2.624e-02 9.620e-03 3.950e-03 / CHEB/ -3.547e-02 -1.008e-02 -6.616e-04 1.909e-03 /

4502.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+2.9	+3.5	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+2.4	+3.4	+3.8

Chebyshev(coeffs=[[7.3918,-1.31127,-0.504803,-0.0811646],[1.89916,0.998258,0.261348,-0.0258637],[0.423469,0.153073,0.135481,0.0477603],[0.0907193,0.0662622,0.0407201,0.0190051],[-0.00656827,0.0227413,0.00855587,0.00413708],[-0.0349413,-0.0127384,-0.00138299,0.00236675]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.29
S298 (cal/mol*K) = -37.76
G298 (kcal/mol) = -55.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(728); C2H4(72), C7H11(728); C5H7(210)+C2H4(72)(+M)=>C7H11(728)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.392e+00 -1.311e+00 -5.048e-01 -8.116e-02 / CHEB/ 1.899e+00 9.983e-01 2.613e-01 -2.586e-02 / CHEB/ 4.235e-01 1.531e-01 1.355e-01 4.776e-02 / CHEB/ 9.072e-02 6.626e-02 4.072e-02 1.901e-02 / CHEB/ -6.568e-03 2.274e-02 8.556e-03 4.137e-03 / CHEB/ -3.494e-02 -1.274e-02 -1.383e-03 2.367e-03 /

4503.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+2.4	+2.9	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+1.9	+2.7	+3.1

Chebyshev(coeffs=[[6.96338,-1.1765,-0.44806,-0.0727591],[1.72206,0.839979,0.193553,-0.0362668],[0.361383,0.159219,0.136645,0.0450297],[0.0665397,0.070941,0.0444562,0.0221024],[-0.0102636,0.0264865,0.00975794,0.00399734],[-0.0327961,-0.00978391,-0.000525105,0.0019482]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.12
S298 (cal/mol*K) = -34.15
G298 (kcal/mol) = -42.95

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(729); C2H4(72), C7H11(729); C5H7(210)+C2H4(72)(+M)=>C7H11(729)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.963e+00 -1.177e+00 -4.481e-01 -7.276e-02 / CHEB/ 1.722e+00 8.400e-01 1.936e-01 -3.627e-02 / CHEB/ 3.614e-01 1.592e-01 1.366e-01 4.503e-02 / CHEB/ 6.654e-02 7.094e-02 4.446e-02 2.210e-02 / CHEB/ -1.026e-02 2.649e-02 9.758e-03 3.997e-03 / CHEB/ -3.280e-02 -9.784e-03 -5.251e-04 1.948e-03 /

4504.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+2.8	+3.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.4	+2.9	+3.1

Chebyshev(coeffs=[[7.79469,-1.22362,-0.455293,-0.0686167],[1.07746,0.836564,0.182867,-0.0392357],[0.198775,0.188928,0.142198,0.0404756],[0.0503817,0.0853696,0.0504662,0.0216602],[-0.00615704,0.0278802,0.011207,0.00487339],[-0.0314412,-0.0112475,-0.000293263,0.0026355]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.47
S298 (cal/mol*K) = -35.87
G298 (kcal/mol) = -39.79

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(730); C2H4(72), C7H11(730); C5H7(210)+C2H4(72)(+M)=>C7H11(730)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.795e+00 -1.224e+00 -4.553e-01 -6.862e-02 / CHEB/ 1.077e+00 8.366e-01 1.829e-01 -3.924e-02 / CHEB/ 1.988e-01 1.889e-01 1.422e-01 4.048e-02 / CHEB/ 5.038e-02 8.537e-02 5.047e-02 2.166e-02 / CHEB/ -6.157e-03 2.788e-02 1.121e-02 4.873e-03 / CHEB/ -3.144e-02 -1.125e-02 -2.933e-04 2.636e-03 /

4505.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+3.7	+3.2	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+3.9	+3.8	+3.5

Chebyshev(coeffs=[[8.70791,0.354247,-0.651204,-0.121577],[0.152456,0.938492,0.230399,-0.0240557],[-0.113705,0.234785,0.150635,0.0380987],[-0.1485,0.16873,0.0782444,0.0190296],[-0.108845,0.0710077,0.0288815,0.00670238],[-0.060331,-0.00568566,0.00404073,0.00428074]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.04
S298 (cal/mol*K) = -40.34
G298 (kcal/mol) = -52.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(731); C2H4(72), C7H11(731); C5H7(210)+C2H4(72)(+M)=>C7H11(731)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.708e+00 3.542e-01 -6.512e-01 -1.216e-01 / CHEB/ 1.525e-01 9.385e-01 2.304e-01 -2.406e-02 / CHEB/ -1.137e-01 2.348e-01 1.506e-01 3.810e-02 / CHEB/ -1.485e-01 1.687e-01 7.824e-02 1.903e-02 / CHEB/ -1.088e-01 7.101e-02 2.888e-02 6.702e-03 / CHEB/ -6.033e-02 -5.686e-03 4.041e-03 4.281e-03 /

4506.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.3	+4.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.8	+4.2	+4.4

Chebyshev(coeffs=[[9.33978,-1.24088,-0.459746,-0.0681504],[0.899258,0.826053,0.176171,-0.0408442],[0.119395,0.194406,0.141724,0.0383782],[0.0261314,0.0916494,0.0521683,0.0208739],[-0.0123173,0.0309225,0.0124783,0.0049474],[-0.0332701,-0.0102692,0.000493891,0.00296153]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.58
S298 (cal/mol*K) = -44.94
G298 (kcal/mol) = -29.19

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(732); C2H4(72), C7H11(732); C5H7(210)+C2H4(72)(+M)=>C7H11(732)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.340e+00 -1.241e+00 -4.597e-01 -6.815e-02 / CHEB/ 8.993e-01 8.261e-01 1.762e-01 -4.084e-02 / CHEB/ 1.194e-01 1.944e-01 1.417e-01 3.838e-02 / CHEB/ 2.613e-02 9.165e-02 5.217e-02 2.087e-02 / CHEB/ -1.232e-02 3.092e-02 1.248e-02 4.947e-03 / CHEB/ -3.327e-02 -1.027e-02 4.939e-04 2.962e-03 /

4507.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+1.2	+2.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+0.9	+2.0	+2.5

Chebyshev(coeffs=[[5.28648,-1.11913,-0.436633,-0.0756609],[2.63909,0.842403,0.209274,-0.0296388],[0.540995,0.13166,0.130853,0.0499719],[0.0736432,0.0599438,0.0383065,0.0216665],[-0.0225213,0.024781,0.00819364,0.00282812],[-0.0356295,-0.0101696,-0.00132679,0.00121739]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.46
S298 (cal/mol*K) = -36.87
G298 (kcal/mol) = -41.48

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(733); C2H4(72), C7H11(733); C5H7(210)+C2H4(72)(+M)=>C7H11(733)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.286e+00 -1.119e+00 -4.366e-01 -7.566e-02 / CHEB/ 2.639e+00 8.424e-01 2.093e-01 -2.964e-02 / CHEB/ 5.410e-01 1.317e-01 1.309e-01 4.997e-02 / CHEB/ 7.364e-02 5.994e-02 3.831e-02 2.167e-02 / CHEB/ -2.252e-02 2.478e-02 8.194e-03 2.828e-03 / CHEB/ -3.563e-02 -1.017e-02 -1.327e-03 1.217e-03 /

4508.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-4.9	-1.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-5.0	-1.4	+0.5

Chebyshev(coeffs=[[-8.24297,-0.378389,-0.2292,-0.0982254],[14.3889,0.283153,0.158566,0.0560265],[0.258652,0.0238198,0.0253244,0.0205601],[0.0618117,0.0444381,0.0258545,0.0103377],[-0.00268542,0.0138332,0.00835144,0.0034615],[-0.0176355,-0.00921638,-0.004891,-0.00141728]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.71
S298 (cal/mol*K) = 0.70
G298 (kcal/mol) = 34.50

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H8(734); C2H4(72), C3H3(588); C5H7(210)+C2H4(72)(+M)=>C3H3(588)+C4H8(734)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.243e+00 -3.784e-01 -2.292e-01 -9.823e-02 / CHEB/ 1.439e+01 2.832e-01 1.586e-01 5.603e-02 / CHEB/ 2.587e-01 2.382e-02 2.532e-02 2.056e-02 / CHEB/ 6.181e-02 4.444e-02 2.585e-02 1.034e-02 / CHEB/ -2.685e-03 1.383e-02 8.351e-03 3.461e-03 / CHEB/ -1.764e-02 -9.216e-03 -4.891e-03 -1.417e-03 /

4511.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+3.5	+4.2	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+2.6	+3.8	+3.9

Chebyshev(coeffs=[[6.04185,-2.05391,-0.25618,0.0251869],[4.02427,1.16854,-0.139826,-0.0875445],[0.375716,0.493921,0.105523,-0.0191925],[-0.256184,0.0486059,0.076955,0.0118027],[-0.195853,-0.0599927,0.021673,0.0106369],[-0.0753347,-0.0367982,-0.00663767,0.00283]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.21
S298 (cal/mol*K) = -8.84
G298 (kcal/mol) = -4.57

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(217); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C5H7(217)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.042e+00 -2.054e+00 -2.562e-01 2.519e-02 / CHEB/ 4.024e+00 1.169e+00 -1.398e-01 -8.754e-02 / CHEB/ 3.757e-01 4.939e-01 1.055e-01 -1.919e-02 / CHEB/ -2.562e-01 4.861e-02 7.695e-02 1.180e-02 / CHEB/ -1.959e-01 -5.999e-02 2.167e-02 1.064e-02 / CHEB/ -7.533e-02 -3.680e-02 -6.638e-03 2.830e-03 /

4512.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.9	+4.6	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+2.9	+4.1	+4.2

Chebyshev(coeffs=[[6.71319,-2.12802,-0.23552,0.030548],[3.67365,1.1017,-0.170041,-0.081898],[0.393484,0.515884,0.0834109,-0.0248765],[-0.215085,0.0808166,0.0779087,0.00920197],[-0.191275,-0.0488334,0.0280165,0.0104569],[-0.079164,-0.0389676,-0.00363689,0.00246723]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.40
S298 (cal/mol*K) = -18.56
G298 (kcal/mol) = -12.87

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(218); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.713e+00 -2.128e+00 -2.355e-01 3.055e-02 / CHEB/ 3.674e+00 1.102e+00 -1.700e-01 -8.190e-02 / CHEB/ 3.935e-01 5.159e-01 8.341e-02 -2.488e-02 / CHEB/ -2.151e-01 8.082e-02 7.791e-02 9.202e-03 / CHEB/ -1.913e-01 -4.883e-02 2.802e-02 1.046e-02 / CHEB/ -7.916e-02 -3.897e-02 -3.637e-03 2.467e-03 /

4513.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	-0.4	+1.0	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-1.1	+0.6	+1.0

Chebyshev(coeffs=[[1.09754,-1.94657,-0.295242,0.0171652],[5.88249,1.21998,-0.0770967,-0.090333],[0.520313,0.44763,0.123415,-0.010972],[-0.208955,0.0141007,0.0710291,0.0136269],[-0.170025,-0.066111,0.0134938,0.0116516],[-0.0641743,-0.0316442,-0.00954298,0.00332441]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.19
S298 (cal/mol*K) = -15.59
G298 (kcal/mol) = 10.83

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(219); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(219)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.098e+00 -1.947e+00 -2.952e-01 1.717e-02 / CHEB/ 5.882e+00 1.220e+00 -7.710e-02 -9.033e-02 / CHEB/ 5.203e-01 4.476e-01 1.234e-01 -1.097e-02 / CHEB/ -2.090e-01 1.410e-02 7.103e-02 1.363e-02 / CHEB/ -1.700e-01 -6.611e-02 1.349e-02 1.165e-02 / CHEB/ -6.417e-02 -3.164e-02 -9.543e-03 3.324e-03 /

4514.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+0.8	+1.8	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-5.1	-0.1	+1.3	+1.6

Chebyshev(coeffs=[[3.08907,-2.07053,-0.25132,0.026369],[4.49849,1.1551,-0.14748,-0.0864942],[0.504656,0.499693,0.10099,-0.0205385],[-0.213388,0.055371,0.0774699,0.0113137],[-0.183693,-0.0580312,0.0230612,0.010563],[-0.0717177,-0.0374601,-0.00604375,0.00272141]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.42
S298 (cal/mol*K) = -22.19
G298 (kcal/mol) = -1.81

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(220); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(220)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.089e+00 -2.071e+00 -2.513e-01 2.637e-02 / CHEB/ 4.498e+00 1.155e+00 -1.475e-01 -8.649e-02 / CHEB/ 5.047e-01 4.997e-01 1.010e-01 -2.054e-02 / CHEB/ -2.134e-01 5.537e-02 7.747e-02 1.131e-02 / CHEB/ -1.837e-01 -5.803e-02 2.306e-02 1.056e-02 / CHEB/ -7.172e-02 -3.746e-02 -6.044e-03 2.721e-03 /

4515.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-4.2	-2.1	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-4.8	-2.4	-1.5

Chebyshev(coeffs=[[-4.84266,-1.64055,-0.389316,-0.0067135],[9.27747,1.13324,0.0859442,-0.0761835],[0.372602,0.349965,0.126713,-0.000518195],[-0.143792,-0.0237688,0.0499367,0.0193227],[-0.13699,-0.0621997,-0.00114537,0.012287],[-0.052908,-0.0206147,-0.0114694,0.00123993]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.19
S298 (cal/mol*K) = -18.29
G298 (kcal/mol) = 28.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(221); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(221)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.843e+00 -1.641e+00 -3.893e-01 -6.714e-03 / CHEB/ 9.277e+00 1.133e+00 8.594e-02 -7.618e-02 / CHEB/ 3.726e-01 3.500e-01 1.267e-01 -5.182e-04 / CHEB/ -1.438e-01 -2.377e-02 4.994e-02 1.932e-02 / CHEB/ -1.370e-01 -6.220e-02 -1.145e-03 1.229e-02 / CHEB/ -5.291e-02 -2.061e-02 -1.147e-02 1.240e-03 /

4516.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-4.2	-2.1	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-4.8	-2.4	-1.5

H298 (kcal/mol) = 23.19
S298 (cal/mol*K) = -18.29
G298 (kcal/mol) = 28.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(222); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(222)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.843e+00 -1.641e+00 -3.893e-01 -6.714e-03 / CHEB/ 9.277e+00 1.133e+00 8.594e-02 -7.618e-02 / CHEB/ 3.726e-01 3.500e-01 1.267e-01 -5.182e-04 / CHEB/ -1.438e-01 -2.377e-02 4.994e-02 1.932e-02 / CHEB/ -1.370e-01 -6.220e-02 -1.145e-03 1.229e-02 / CHEB/ -5.291e-02 -2.061e-02 -1.147e-02 1.240e-03 /

4517.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	-3.4	-1.5	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-4.0	-1.7	-1.0

Chebyshev(coeffs=[[-3.32514,-1.74747,-0.363371,0.000983593],[8.25002,1.18423,0.0380614,-0.0815485],[0.436663,0.378281,0.127447,-0.00400885],[-0.157269,-0.0159884,0.0577571,0.0174126],[-0.146682,-0.0647535,0.00292778,0.012819],[-0.0557975,-0.0238493,-0.011498,0.00217916]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.49
S298 (cal/mol*K) = -18.29
G298 (kcal/mol) = 23.94

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(223); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(223)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.325e+00 -1.747e+00 -3.634e-01 9.836e-04 / CHEB/ 8.250e+00 1.184e+00 3.806e-02 -8.155e-02 / CHEB/ 4.367e-01 3.783e-01 1.274e-01 -4.009e-03 / CHEB/ -1.573e-01 -1.599e-02 5.776e-02 1.741e-02 / CHEB/ -1.467e-01 -6.475e-02 2.928e-03 1.282e-02 / CHEB/ -5.580e-02 -2.385e-02 -1.150e-02 2.179e-03 /

4518.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-2.7	-0.7	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-3.3	-1.0	-0.2

Chebyshev(coeffs=[[-3.02122,-1.70286,-0.375021,-0.00224968],[8.78115,1.16455,0.0590652,-0.0793467],[0.429938,0.365959,0.127298,-0.00262345],[-0.144906,-0.0196607,0.0544921,0.018276],[-0.140538,-0.0637642,0.00112919,0.0126812],[-0.0538512,-0.0224536,-0.0115446,0.00178558]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.69
S298 (cal/mol*K) = -18.71
G298 (kcal/mol) = 26.26

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(224); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(224)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.021e+00 -1.703e+00 -3.750e-01 -2.250e-03 / CHEB/ 8.781e+00 1.165e+00 5.907e-02 -7.935e-02 / CHEB/ 4.299e-01 3.660e-01 1.273e-01 -2.623e-03 / CHEB/ -1.449e-01 -1.966e-02 5.449e-02 1.828e-02 / CHEB/ -1.405e-01 -6.376e-02 1.129e-03 1.268e-02 / CHEB/ -5.385e-02 -2.245e-02 -1.154e-02 1.786e-03 /

4519.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+3.5	+3.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+2.4	+3.2	+3.0

Chebyshev(coeffs=[[6.83722,-2.22348,-0.219666,0.0376964],[2.76648,0.985274,-0.195428,-0.0723546],[0.154713,0.50937,0.0533964,-0.0290898],[-0.259982,0.114421,0.0711427,0.0048482],[-0.203884,-0.0270966,0.0332055,0.00973551],[-0.0871377,-0.0360612,0.000792795,0.00253282]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.77
S298 (cal/mol*K) = -39.97
G298 (kcal/mol) = -30.86

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(225); C5H6(62), C7H10(225); C2H4(115)+C5H6(62)(+M)=>C7H10(225)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.837e+00 -2.223e+00 -2.197e-01 3.770e-02 / CHEB/ 2.766e+00 9.853e-01 -1.954e-01 -7.235e-02 / CHEB/ 1.547e-01 5.094e-01 5.340e-02 -2.909e-02 / CHEB/ -2.600e-01 1.144e-01 7.114e-02 4.848e-03 / CHEB/ -2.039e-01 -2.710e-02 3.321e-02 9.736e-03 / CHEB/ -8.714e-02 -3.606e-02 7.928e-04 2.533e-03 /

4520.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+3.1	+3.4	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+2.0	+2.8	+2.6

Chebyshev(coeffs=[[6.5161,-2.21635,-0.219721,0.0371923],[2.6872,0.995992,-0.193786,-0.0730969],[0.112047,0.513522,0.0552438,-0.0291124],[-0.262469,0.114154,0.0720464,0.0050708],[-0.181414,-0.0286211,0.0333355,0.00988572],[-0.0778421,-0.0370468,0.000588617,0.00259452]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.04
S298 (cal/mol*K) = -43.30
G298 (kcal/mol) = -30.14

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(226); C5H6(62), C7H10(226); C2H4(115)+C5H6(62)(+M)=>C7H10(226)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.516e+00 -2.216e+00 -2.197e-01 3.719e-02 / CHEB/ 2.687e+00 9.960e-01 -1.938e-01 -7.310e-02 / CHEB/ 1.120e-01 5.135e-01 5.524e-02 -2.911e-02 / CHEB/ -2.625e-01 1.142e-01 7.205e-02 5.071e-03 / CHEB/ -1.814e-01 -2.862e-02 3.334e-02 9.886e-03 / CHEB/ -7.784e-02 -3.705e-02 5.886e-04 2.595e-03 /

4521.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+1.7	+2.6	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+0.8	+2.1	+2.3

Chebyshev(coeffs=[[4.2862,-2.08597,-0.244711,0.027559],[4.1303,1.14508,-0.154596,-0.0853533],[0.424535,0.509359,0.0963333,-0.0221236],[-0.216326,0.0635596,0.0785364,0.0108614],[-0.161433,-0.056941,0.0249161,0.010703],[-0.0652444,-0.0391582,-0.0055052,0.0026855]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.28
S298 (cal/mol*K) = -36.18
G298 (kcal/mol) = -16.50

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(227); C5H6(62), C7H10(227); C2H4(115)+C5H6(62)(+M)=>C7H10(227)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.286e+00 -2.086e+00 -2.447e-01 2.756e-02 / CHEB/ 4.130e+00 1.145e+00 -1.546e-01 -8.535e-02 / CHEB/ 4.245e-01 5.094e-01 9.633e-02 -2.212e-02 / CHEB/ -2.163e-01 6.356e-02 7.854e-02 1.086e-02 / CHEB/ -1.614e-01 -5.694e-02 2.492e-02 1.070e-02 / CHEB/ -6.524e-02 -3.916e-02 -5.505e-03 2.685e-03 /

4522.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-4.3	-2.7	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-5.0	-3.0	-2.4

Chebyshev(coeffs=[[-3.3983,-1.86521,-0.323153,0.0105156],[6.92372,1.2279,-0.0270543,-0.0878764],[0.472588,0.418564,0.128145,-0.00727282],[-0.180689,-0.00275568,0.0664668,0.0151952],[-0.12382,-0.0684894,0.00850729,0.0126486],[-0.0444245,-0.0289491,-0.0111143,0.00313811]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.28
S298 (cal/mol*K) = -38.88
G298 (kcal/mol) = 1.31

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(228); C5H6(62), C7H10(228); C2H4(115)+C5H6(62)(+M)=>C7H10(228)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.398e+00 -1.865e+00 -3.232e-01 1.052e-02 / CHEB/ 6.924e+00 1.228e+00 -2.705e-02 -8.788e-02 / CHEB/ 4.726e-01 4.186e-01 1.281e-01 -7.273e-03 / CHEB/ -1.807e-01 -2.756e-03 6.647e-02 1.520e-02 / CHEB/ -1.238e-01 -6.849e-02 8.507e-03 1.265e-02 / CHEB/ -4.442e-02 -2.895e-02 -1.111e-02 3.138e-03 /

4523.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-2.8	-1.5	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-3.5	-1.8	-1.4

Chebyshev(coeffs=[[-1.44855,-1.926,-0.303411,0.0154674],[6.05847,1.22252,-0.063702,-0.0899291],[0.49491,0.43898,0.12464,-0.00985183],[-0.209166,0.00940627,0.0698201,0.0139131],[-0.169412,-0.0664065,0.0121266,0.011896],[-0.0637292,-0.0306893,-0.00992087,0.00330867]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.58
S298 (cal/mol*K) = -35.48
G298 (kcal/mol) = -6.01

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(229); C5H6(62), C7H10(229); C2H4(115)+C5H6(62)(+M)=>C7H10(229)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.449e+00 -1.926e+00 -3.034e-01 1.547e-02 / CHEB/ 6.058e+00 1.223e+00 -6.370e-02 -8.993e-02 / CHEB/ 4.949e-01 4.390e-01 1.246e-01 -9.852e-03 / CHEB/ -2.092e-01 9.406e-03 6.982e-02 1.391e-02 / CHEB/ -1.694e-01 -6.641e-02 1.213e-02 1.190e-02 / CHEB/ -6.373e-02 -3.069e-02 -9.921e-03 3.309e-03 /

4524.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+2.1	+3.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+1.2	+2.5	+2.7

Chebyshev(coeffs=[[4.5331,-2.08285,-0.247944,0.0272469],[4.2714,1.14434,-0.15278,-0.0856367],[0.469253,0.503473,0.0974343,-0.0215027],[-0.219622,0.0605213,0.0777059,0.0109082],[-0.187114,-0.0563596,0.0240911,0.0105162],[-0.0735069,-0.0378845,-0.00557696,0.00264898]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.08
S298 (cal/mol*K) = -33.31
G298 (kcal/mol) = -15.16

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(230); C5H6(62), C7H10(230); C2H4(115)+C5H6(62)(+M)=>C7H10(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.533e+00 -2.083e+00 -2.479e-01 2.725e-02 / CHEB/ 4.271e+00 1.144e+00 -1.528e-01 -8.564e-02 / CHEB/ 4.693e-01 5.035e-01 9.743e-02 -2.150e-02 / CHEB/ -2.196e-01 6.052e-02 7.771e-02 1.091e-02 / CHEB/ -1.871e-01 -5.636e-02 2.409e-02 1.052e-02 / CHEB/ -7.351e-02 -3.788e-02 -5.577e-03 2.649e-03 /

4525.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+2.0	+2.4	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+1.0	+1.9	+1.7

Chebyshev(coeffs=[[5.27982,-2.18144,-0.226619,0.0344709],[2.91736,1.03859,-0.185576,-0.0768861],[0.205504,0.515119,0.0664487,-0.0275625],[-0.258624,0.10072,0.0747077,0.00677628],[-0.204563,-0.0371334,0.0312501,0.0100785],[-0.0853446,-0.0380639,-0.00118904,0.00245167]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.93
S298 (cal/mol*K) = -35.16
G298 (kcal/mol) = -19.45

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(231); C5H6(62), C7H10(231); C2H4(115)+C5H6(62)(+M)=>C7H10(231)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.280e+00 -2.181e+00 -2.266e-01 3.447e-02 / CHEB/ 2.917e+00 1.039e+00 -1.856e-01 -7.689e-02 / CHEB/ 2.055e-01 5.151e-01 6.645e-02 -2.756e-02 / CHEB/ -2.586e-01 1.007e-01 7.471e-02 6.776e-03 / CHEB/ -2.046e-01 -3.713e-02 3.125e-02 1.008e-02 / CHEB/ -8.534e-02 -3.806e-02 -1.189e-03 2.452e-03 /

4526.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-2.3	-1.2	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-3.1	-1.6	-1.4

Chebyshev(coeffs=[[-0.121952,-2.03745,-0.261353,0.0240131],[4.78301,1.18055,-0.131646,-0.0884515],[0.514261,0.487552,0.109644,-0.0178268],[-0.218997,0.0421957,0.0762535,0.0122183],[-0.181452,-0.0616151,0.0203162,0.0107289],[-0.0697276,-0.0360689,-0.00718679,0.00294368]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.93
S298 (cal/mol*K) = -37.86
G298 (kcal/mol) = -1.65

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(232); C5H6(62), C7H10(232); C2H4(115)+C5H6(62)(+M)=>C7H10(232)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.220e-01 -2.037e+00 -2.614e-01 2.401e-02 / CHEB/ 4.783e+00 1.181e+00 -1.316e-01 -8.845e-02 / CHEB/ 5.143e-01 4.876e-01 1.096e-01 -1.783e-02 / CHEB/ -2.190e-01 4.220e-02 7.625e-02 1.222e-02 / CHEB/ -1.815e-01 -6.162e-02 2.032e-02 1.073e-02 / CHEB/ -6.973e-02 -3.607e-02 -7.187e-03 2.944e-03 /

4527.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-1.9	-0.9	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-2.7	-1.3	-1.1

Chebyshev(coeffs=[[0.420356,-2.05,-0.257375,0.0249089],[4.5481,1.17151,-0.137939,-0.0877724],[0.48496,0.492464,0.106537,-0.0188704],[-0.224993,0.0470553,0.0768044,0.0119075],[-0.185035,-0.0604059,0.0213487,0.0106568],[-0.0713848,-0.0366308,-0.00677142,0.00285673]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -35.94
G298 (kcal/mol) = -3.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(233); C5H6(62), C7H10(233); C2H4(115)+C5H6(62)(+M)=>C7H10(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.204e-01 -2.050e+00 -2.574e-01 2.491e-02 / CHEB/ 4.548e+00 1.172e+00 -1.379e-01 -8.777e-02 / CHEB/ 4.850e-01 4.925e-01 1.065e-01 -1.887e-02 / CHEB/ -2.250e-01 4.706e-02 7.680e-02 1.191e-02 / CHEB/ -1.850e-01 -6.041e-02 2.135e-02 1.066e-02 / CHEB/ -7.138e-02 -3.663e-02 -6.771e-03 2.857e-03 /

4528.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+1.7	+2.1	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+0.7	+1.5	+1.4

Chebyshev(coeffs=[[4.99906,-2.15694,-0.231138,0.0326333],[2.85097,1.06767,-0.178818,-0.0793301],[0.193678,0.515511,0.0742578,-0.0263725],[-0.271358,0.0914523,0.0762306,0.00789331],[-0.208721,-0.0426907,0.0297592,0.0102248],[-0.0854076,-0.0386507,-0.0023515,0.0024388]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.18
S298 (cal/mol*K) = -32.39
G298 (kcal/mol) = -19.53

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(234); C5H6(62), C7H10(234); C2H4(115)+C5H6(62)(+M)=>C7H10(234)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.999e+00 -2.157e+00 -2.311e-01 3.263e-02 / CHEB/ 2.851e+00 1.068e+00 -1.788e-01 -7.933e-02 / CHEB/ 1.937e-01 5.155e-01 7.426e-02 -2.637e-02 / CHEB/ -2.714e-01 9.145e-02 7.623e-02 7.893e-03 / CHEB/ -2.087e-01 -4.269e-02 2.976e-02 1.022e-02 / CHEB/ -8.541e-02 -3.865e-02 -2.351e-03 2.439e-03 /

4529.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+1.1	+1.4	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+0.0	+0.7	+0.5

Chebyshev(coeffs=[[4.60602,-2.23605,-0.216455,0.0387343],[2.53906,0.97008,-0.197714,-0.0708148],[0.101464,0.509445,0.0494449,-0.029635],[-0.268093,0.120219,0.0701717,0.00417392],[-0.204371,-0.0232596,0.0340051,0.00966087],[-0.0863546,-0.0353851,0.00151981,0.00261419]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.57
S298 (cal/mol*K) = -48.68
G298 (kcal/mol) = -39.06

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(235); C5H6(62), C7H10(235); C2H4(115)+C5H6(62)(+M)=>C7H10(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.606e+00 -2.236e+00 -2.165e-01 3.873e-02 / CHEB/ 2.539e+00 9.701e-01 -1.977e-01 -7.081e-02 / CHEB/ 1.015e-01 5.094e-01 4.944e-02 -2.964e-02 / CHEB/ -2.681e-01 1.202e-01 7.017e-02 4.174e-03 / CHEB/ -2.044e-01 -2.326e-02 3.401e-02 9.661e-03 / CHEB/ -8.635e-02 -3.539e-02 1.520e-03 2.614e-03 /

4530.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-1.8	-0.8	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-2.6	-1.2	-1.0

Chebyshev(coeffs=[[0.741586,-2.06654,-0.250811,0.0260919],[4.24351,1.16059,-0.146901,-0.0867253],[0.57367,0.500009,0.102348,-0.0203699],[-0.168372,0.0533539,0.0779304,0.011595],[-0.218392,-0.0592128,0.0226269,0.0106602],[-0.0577218,-0.0374505,-0.00613649,0.00272595]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.28
S298 (cal/mol*K) = -38.88
G298 (kcal/mol) = 1.31

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(236); C5H6(62), C7H10(236); C2H4(115)+C5H6(62)(+M)=>C7H10(236)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.416e-01 -2.067e+00 -2.508e-01 2.609e-02 / CHEB/ 4.244e+00 1.161e+00 -1.469e-01 -8.673e-02 / CHEB/ 5.737e-01 5.000e-01 1.023e-01 -2.037e-02 / CHEB/ -1.684e-01 5.335e-02 7.793e-02 1.159e-02 / CHEB/ -2.184e-01 -5.921e-02 2.263e-02 1.066e-02 / CHEB/ -5.772e-02 -3.745e-02 -6.136e-03 2.726e-03 /

4531.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-1.5	-0.5	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-2.3	-1.0	-0.8

Chebyshev(coeffs=[[0.87274,-2.05694,-0.255266,0.0254025],[4.42025,1.16618,-0.141267,-0.0873625],[0.467953,0.495028,0.104722,-0.0194412],[-0.228231,0.0498209,0.0770644,0.0117186],[-0.186976,-0.0596593,0.0219253,0.0106222],[-0.0723167,-0.0369256,-0.00653238,0.00280955]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.38
S298 (cal/mol*K) = -35.90
G298 (kcal/mol) = -3.68

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(237); C5H6(62), C7H10(237); C2H4(115)+C5H6(62)(+M)=>C7H10(237)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.727e-01 -2.057e+00 -2.553e-01 2.540e-02 / CHEB/ 4.420e+00 1.166e+00 -1.413e-01 -8.736e-02 / CHEB/ 4.680e-01 4.950e-01 1.047e-01 -1.944e-02 / CHEB/ -2.282e-01 4.982e-02 7.706e-02 1.172e-02 / CHEB/ -1.870e-01 -5.966e-02 2.193e-02 1.062e-02 / CHEB/ -7.232e-02 -3.693e-02 -6.532e-03 2.810e-03 /

4532.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+1.0	+1.6	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-3.4	-0.1	+1.1	+1.6

Chebyshev(coeffs=[[4.53496,-2.14101,-0.192092,0.0416041],[2.93716,1.13425,-0.140408,-0.0656131],[0.341592,0.623769,0.0974287,-0.0245],[-0.105604,0.193707,0.0993042,0.0059398],[-0.0835961,0.0236762,0.0478514,0.007938],[-0.000569565,-0.00656422,0.00664939,-0.000449261]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.58
S298 (cal/mol*K) = -43.48
G298 (kcal/mol) = -31.62

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(238); C5H6(62), C7H10(238); C2H4(115)+C5H6(62)(+M)=>C7H10(238)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.535e+00 -2.141e+00 -1.921e-01 4.160e-02 / CHEB/ 2.937e+00 1.134e+00 -1.404e-01 -6.561e-02 / CHEB/ 3.416e-01 6.238e-01 9.743e-02 -2.450e-02 / CHEB/ -1.056e-01 1.937e-01 9.930e-02 5.940e-03 / CHEB/ -8.360e-02 2.368e-02 4.785e-02 7.938e-03 / CHEB/ -5.696e-04 -6.564e-03 6.649e-03 -4.493e-04 /

4533.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	-0.8	+0.0	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-1.7	-0.4	-0.3

Chebyshev(coeffs=[[1.79994,-2.09025,-0.246004,0.027776],[4.03763,1.13757,-0.155819,-0.0850919],[0.425216,0.505524,0.0952327,-0.0220651],[-0.229877,0.0636526,0.0777839,0.010648],[-0.191251,-0.0552668,0.024706,0.0104902],[-0.0753406,-0.0381086,-0.00528563,0.00260995]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.93
S298 (cal/mol*K) = -37.86
G298 (kcal/mol) = -1.65

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(239); C5H6(62), C7H10(239); C2H4(115)+C5H6(62)(+M)=>C7H10(239)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.800e+00 -2.090e+00 -2.460e-01 2.778e-02 / CHEB/ 4.038e+00 1.138e+00 -1.558e-01 -8.509e-02 / CHEB/ 4.252e-01 5.055e-01 9.523e-02 -2.207e-02 / CHEB/ -2.299e-01 6.365e-02 7.778e-02 1.065e-02 / CHEB/ -1.913e-01 -5.527e-02 2.471e-02 1.049e-02 / CHEB/ -7.534e-02 -3.811e-02 -5.286e-03 2.610e-03 /

4534.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-0.6	+0.9	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-1.3	+0.6	+1.1

Chebyshev(coeffs=[[0.731857,-1.93056,-0.296846,0.016061],[6.18805,1.23194,-0.0702533,-0.0904259],[0.604529,0.44327,0.12702,-0.0098871],[-0.178682,0.0086223,0.0706592,0.0142703],[-0.164988,-0.0676318,0.0121125,0.0118844],[-0.0602754,-0.0309964,-0.00997542,0.00331781]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.84
S298 (cal/mol*K) = -29.10
G298 (kcal/mol) = 12.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(240); C5H6(62), C7H10(240); C2H4(115)+C5H6(62)(+M)=>C7H10(240)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.319e-01 -1.931e+00 -2.968e-01 1.606e-02 / CHEB/ 6.188e+00 1.232e+00 -7.025e-02 -9.043e-02 / CHEB/ 6.045e-01 4.433e-01 1.270e-01 -9.887e-03 / CHEB/ -1.787e-01 8.622e-03 7.066e-02 1.427e-02 / CHEB/ -1.650e-01 -6.763e-02 1.211e-02 1.188e-02 / CHEB/ -6.028e-02 -3.100e-02 -9.975e-03 3.318e-03 /

4535.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+3.0	+3.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+2.1	+3.2	+3.3

Chebyshev(coeffs=[[5.86078,-2.12976,-0.234538,0.0307067],[3.64809,1.10072,-0.170512,-0.0817078],[0.380117,0.517834,0.0828697,-0.0250966],[-0.22504,0.0828799,0.0780359,0.00907477],[-0.194141,-0.0481062,0.028277,0.0104583],[-0.0757205,-0.0394,-0.00354958,0.00249516]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.10
S298 (cal/mol*K) = -31.40
G298 (kcal/mol) = -12.74

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(241); C5H6(62), C7H10(241); C2H4(115)+C5H6(62)(+M)=>C7H10(241)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.861e+00 -2.130e+00 -2.345e-01 3.071e-02 / CHEB/ 3.648e+00 1.101e+00 -1.705e-01 -8.171e-02 / CHEB/ 3.801e-01 5.178e-01 8.287e-02 -2.510e-02 / CHEB/ -2.250e-01 8.288e-02 7.804e-02 9.075e-03 / CHEB/ -1.941e-01 -4.811e-02 2.828e-02 1.046e-02 / CHEB/ -7.572e-02 -3.940e-02 -3.550e-03 2.495e-03 /

4536.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+3.6	+5.0	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+2.8	+4.6	+5.0

Chebyshev(coeffs=[[5.14227,-1.96375,-0.28845,0.0185472],[5.80301,1.21611,-0.0881564,-0.0904531],[0.554616,0.455176,0.121902,-0.0120486],[-0.203666,0.0184355,0.0720853,0.013402],[-0.169221,-0.0657036,0.0146712,0.0114446],[-0.0640504,-0.0324705,-0.00917893,0.00330639]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.60
S298 (cal/mol*K) = -22.30
G298 (kcal/mol) = -8.95

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(242); C5H6(62), C7H10(242); C2H4(115)+C5H6(62)(+M)=>C7H10(242)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.142e+00 -1.964e+00 -2.884e-01 1.855e-02 / CHEB/ 5.803e+00 1.216e+00 -8.816e-02 -9.045e-02 / CHEB/ 5.546e-01 4.552e-01 1.219e-01 -1.205e-02 / CHEB/ -2.037e-01 1.844e-02 7.209e-02 1.340e-02 / CHEB/ -1.692e-01 -6.570e-02 1.467e-02 1.144e-02 / CHEB/ -6.405e-02 -3.247e-02 -9.179e-03 3.306e-03 /

4537.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+1.7	+3.0	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-3.3	+1.7	+3.4	+3.9

Chebyshev(coeffs=[[4.04523,-0.826764,-0.428427,0.012528],[4.68486,1.93714,-0.01873,-0.107085],[0.514964,0.390501,0.127583,0.00680945],[-0.0494967,-0.0293721,0.0329876,0.00769849],[-0.125418,-0.0375052,0.0134966,-0.00125193],[-0.0941141,-0.0137956,0.00700048,0.00268886]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.17
S298 (cal/mol*K) = -21.92
G298 (kcal/mol) = -8.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(243); C5H6(62), C7H10(243); C2H4(115)+C5H6(62)(+M)=>C7H10(243)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.045e+00 -8.268e-01 -4.284e-01 1.253e-02 / CHEB/ 4.685e+00 1.937e+00 -1.873e-02 -1.071e-01 / CHEB/ 5.150e-01 3.905e-01 1.276e-01 6.809e-03 / CHEB/ -4.950e-02 -2.937e-02 3.299e-02 7.698e-03 / CHEB/ -1.254e-01 -3.751e-02 1.350e-02 -1.252e-03 / CHEB/ -9.411e-02 -1.380e-02 7.000e-03 2.689e-03 /

4538.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+2.4	+3.5	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+2.3	+3.9	+4.1

Chebyshev(coeffs=[[4.59922,-0.716664,-0.459203,0.00622933],[4.53422,1.6942,0.000834801,-0.106388],[0.563955,0.412351,0.0985146,0.00835283],[-0.162563,0.0306206,0.0452947,0.00567574],[-0.222202,-0.0201052,0.0300375,0.00308144],[-0.128972,-0.0165898,0.00949093,0.00565502]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.69
S298 (cal/mol*K) = -24.23
G298 (kcal/mol) = -11.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(244); C5H6(62), C7H10(244); C2H4(115)+C5H6(62)(+M)=>C7H10(244)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.599e+00 -7.167e-01 -4.592e-01 6.229e-03 / CHEB/ 4.534e+00 1.694e+00 8.348e-04 -1.064e-01 / CHEB/ 5.640e-01 4.124e-01 9.851e-02 8.353e-03 / CHEB/ -1.626e-01 3.062e-02 4.529e-02 5.676e-03 / CHEB/ -2.222e-01 -2.011e-02 3.004e-02 3.081e-03 / CHEB/ -1.290e-01 -1.659e-02 9.491e-03 5.655e-03 /

4539.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-0.7	+0.3	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-1.5	-0.1	+0.2

Chebyshev(coeffs=[[1.52105,-2.04475,-0.259012,0.0245349],[4.6741,1.17539,-0.135351,-0.0880664],[0.503703,0.490451,0.107866,-0.0184354],[-0.22067,0.0449998,0.0765859,0.0120423],[-0.18294,-0.060933,0.020915,0.0106854],[-0.070471,-0.0364,-0.00694772,0.002893]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.00
S298 (cal/mol*K) = -42.65
G298 (kcal/mol) = -0.29

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(245); C5H6(62), C7H10(245); C2H4(115)+C5H6(62)(+M)=>C7H10(245)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.521e+00 -2.045e+00 -2.590e-01 2.453e-02 / CHEB/ 4.674e+00 1.175e+00 -1.354e-01 -8.807e-02 / CHEB/ 5.037e-01 4.905e-01 1.079e-01 -1.844e-02 / CHEB/ -2.207e-01 4.500e-02 7.659e-02 1.204e-02 / CHEB/ -1.829e-01 -6.093e-02 2.092e-02 1.069e-02 / CHEB/ -7.047e-02 -3.640e-02 -6.948e-03 2.893e-03 /

4540.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-5.4	-4.2	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-6.0	-4.5	-4.2

Chebyshev(coeffs=[[-4.07496,-1.86948,-0.325019,0.0106782],[6.08902,1.2196,-0.0278238,-0.087723],[0.321976,0.417683,0.126072,-0.00760682],[-0.235993,-0.00123379,0.0664961,0.0148976],[-0.177593,-0.0664757,0.00873539,0.0124403],[-0.0661135,-0.0282547,-0.0107231,0.00310082]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.70
S298 (cal/mol*K) = -48.38
G298 (kcal/mol) = -10.28

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(246); C5H6(62), C7H10(246); C2H4(115)+C5H6(62)(+M)=>C7H10(246)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.075e+00 -1.869e+00 -3.250e-01 1.068e-02 / CHEB/ 6.089e+00 1.220e+00 -2.782e-02 -8.772e-02 / CHEB/ 3.220e-01 4.177e-01 1.261e-01 -7.607e-03 / CHEB/ -2.360e-01 -1.234e-03 6.650e-02 1.490e-02 / CHEB/ -1.776e-01 -6.648e-02 8.735e-03 1.244e-02 / CHEB/ -6.611e-02 -2.825e-02 -1.072e-02 3.101e-03 /

4544.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	+2.1	+5.2	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-7.1	+2.5	+5.7	+7.2

Chebyshev(coeffs=[[-6.94726,1.05853,-0.322557,-0.00676779],[13.2757,0.296689,0.0241068,-0.0450625],[0.0714287,0.0394039,0.026115,-0.00128188],[-0.0365294,0.0639656,0.0140578,-0.00626833],[-0.0674819,0.071836,0.013253,-0.00879322],[-0.0409123,0.0362342,0.0103492,-0.00342904]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.12
S298 (cal/mol*K) = -1.84
G298 (kcal/mol) = 0.67

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), S(345); S(66)(+M)=>S(345)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.947e+00 1.059e+00 -3.226e-01 -6.768e-03 / CHEB/ 1.328e+01 2.967e-01 2.411e-02 -4.506e-02 / CHEB/ 7.143e-02 3.940e-02 2.611e-02 -1.282e-03 / CHEB/ -3.653e-02 6.397e-02 1.406e-02 -6.268e-03 / CHEB/ -6.748e-02 7.184e-02 1.325e-02 -8.793e-03 / CHEB/ -4.091e-02 3.623e-02 1.035e-02 -3.429e-03 /

4545.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	+3.6	+6.1	+7.2
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+4.0	+6.6	+7.9

Chebyshev(coeffs=[[-3.53639,0.910754,-0.306431,0.0154937],[10.4698,0.394223,-0.00641376,-0.0583907],[0.141616,0.0675731,0.0334023,-0.00922035],[-0.00648631,0.0635162,0.0145942,-0.00604443],[-0.0519881,0.0690199,0.00980696,-0.00843726],[-0.0353767,0.0354429,0.00970233,-0.00382146]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.78
S298 (cal/mol*K) = 4.57
G298 (kcal/mol) = 10.42

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), S(346); S(66)(+M)=>S(346)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.536e+00 9.108e-01 -3.064e-01 1.549e-02 / CHEB/ 1.047e+01 3.942e-01 -6.414e-03 -5.839e-02 / CHEB/ 1.416e-01 6.757e-02 3.340e-02 -9.220e-03 / CHEB/ -6.486e-03 6.352e-02 1.459e-02 -6.044e-03 / CHEB/ -5.199e-02 6.902e-02 9.807e-03 -8.437e-03 / CHEB/ -3.538e-02 3.544e-02 9.702e-03 -3.821e-03 /

4546.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	+2.3	+5.6	+7.1
log₁₀(k(10 bar)/[mole,m,s])	-7.6	+2.7	+6.2	+7.9

Chebyshev(coeffs=[[-7.38749,1.10277,-0.32264,-0.0139474],[14.304,0.277163,0.0306365,-0.0411254],[0.107477,0.0327136,0.0242788,0.000581071],[-0.0279009,0.0632813,0.0146396,-0.00591526],[-0.0665798,0.0720639,0.0147032,-0.0084742],[-0.0409494,0.0363375,0.0107636,-0.00315773]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.80
S298 (cal/mol*K) = 1.59
G298 (kcal/mol) = 20.33

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), S(347); S(66)(+M)=>S(347)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.387e+00 1.103e+00 -3.226e-01 -1.395e-02 / CHEB/ 1.430e+01 2.772e-01 3.064e-02 -4.113e-02 / CHEB/ 1.075e-01 3.271e-02 2.428e-02 5.811e-04 / CHEB/ -2.790e-02 6.328e-02 1.464e-02 -5.915e-03 / CHEB/ -6.658e-02 7.206e-02 1.470e-02 -8.474e-03 / CHEB/ -4.095e-02 3.634e-02 1.076e-02 -3.158e-03 /

4547.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+5.5	+7.0	+7.6
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+5.7	+7.4	+8.3

Chebyshev(coeffs=[[1.3077,0.589407,-0.210169,0.0267128],[5.94796,0.584427,-0.120253,-0.0385467],[0.113715,0.157698,0.0235785,-0.0338041],[0.0072722,0.058108,0.0238343,-0.0106792],[-0.0326415,0.0540672,0.00820161,-0.00495333],[-0.0288348,0.0329285,0.00750155,-0.00396523]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.25
S298 (cal/mol*K) = 4.68
G298 (kcal/mol) = 8.86

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), S(348); S(66)(+M)=>S(348)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.308e+00 5.894e-01 -2.102e-01 2.671e-02 / CHEB/ 5.948e+00 5.844e-01 -1.203e-01 -3.855e-02 / CHEB/ 1.137e-01 1.577e-01 2.358e-02 -3.380e-02 / CHEB/ 7.272e-03 5.811e-02 2.383e-02 -1.068e-02 / CHEB/ -3.264e-02 5.407e-02 8.202e-03 -4.953e-03 / CHEB/ -2.883e-02 3.293e-02 7.502e-03 -3.965e-03 /

4548.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+4.8	+7.0	+8.0
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+5.1	+7.5	+8.7

Chebyshev(coeffs=[[-1.66659,0.845564,-0.294426,0.0231732],[9.40118,0.43039,-0.0244277,-0.0604042],[0.114384,0.0811384,0.0341897,-0.0137511],[-0.0107616,0.063333,0.0150615,-0.00621943],[-0.0506877,0.0673868,0.00846284,-0.00811126],[-0.0346848,0.0350294,0.00922402,-0.00405846]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.80
S298 (cal/mol*K) = 1.59
G298 (kcal/mol) = 20.33

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), S(349); S(66)(+M)=>S(349)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.667e+00 8.456e-01 -2.944e-01 2.317e-02 / CHEB/ 9.401e+00 4.304e-01 -2.443e-02 -6.040e-02 / CHEB/ 1.144e-01 8.114e-02 3.419e-02 -1.375e-02 / CHEB/ -1.076e-02 6.333e-02 1.506e-02 -6.219e-03 / CHEB/ -5.069e-02 6.739e-02 8.463e-03 -8.111e-03 / CHEB/ -3.468e-02 3.503e-02 9.224e-03 -4.058e-03 /

4549.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+6.3	+7.5	+7.9
log₁₀(k(10 bar)/[mole,m,s])	+2.5	+6.5	+7.9	+8.5

Chebyshev(coeffs=[[2.59004,0.538844,-0.195244,0.0261934],[5.16851,0.57492,-0.132035,-0.0305952],[-0.0629043,0.176461,0.0117257,-0.0342061],[-0.0445483,0.0643243,0.0216361,-0.0133119],[-0.046102,0.0521648,0.00821223,-0.00564507],[-0.0323112,0.0315894,0.00707521,-0.00412497]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.25
S298 (cal/mol*K) = 4.68
G298 (kcal/mol) = 8.86

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), S(350); S(66)(+M)=>S(350)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.590e+00 5.388e-01 -1.952e-01 2.619e-02 / CHEB/ 5.169e+00 5.749e-01 -1.320e-01 -3.060e-02 / CHEB/ -6.290e-02 1.765e-01 1.173e-02 -3.421e-02 / CHEB/ -4.455e-02 6.432e-02 2.164e-02 -1.331e-02 / CHEB/ -4.610e-02 5.216e-02 8.212e-03 -5.645e-03 / CHEB/ -3.231e-02 3.159e-02 7.075e-03 -4.125e-03 /

4550.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+5.1	+6.2	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+5.3	+6.6	+7.2

Chebyshev(coeffs=[[1.12072,0.568143,-0.212312,0.0317061],[5.48149,0.540712,-0.114852,-0.0373381],[-0.155311,0.163034,0.0137158,-0.0323458],[-0.0758278,0.068096,0.0176528,-0.0119616],[-0.0579243,0.0556699,0.0066763,-0.0061986],[-0.0356639,0.0317009,0.00715495,-0.00455085]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.87
S298 (cal/mol*K) = -5.94
G298 (kcal/mol) = -6.10

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), S(351); S(66)(+M)=>S(351)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.121e+00 5.681e-01 -2.123e-01 3.171e-02 / CHEB/ 5.481e+00 5.407e-01 -1.149e-01 -3.734e-02 / CHEB/ -1.553e-01 1.630e-01 1.372e-02 -3.235e-02 / CHEB/ -7.583e-02 6.810e-02 1.765e-02 -1.196e-02 / CHEB/ -5.792e-02 5.567e-02 6.676e-03 -6.199e-03 / CHEB/ -3.566e-02 3.170e-02 7.155e-03 -4.551e-03 /

4551.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.3	-6.8	+0.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-27.6	-6.1	+0.8	+4.0

Chebyshev(coeffs=[[-26.7736,1.52037,-0.247327,-0.068794],[30.0965,0.0946523,0.036701,-0.0010673],[-0.0784092,-0.0155586,-0.0010655,0.00530299],[-0.101904,0.0502711,0.019636,-0.000197609],[-0.110497,0.063533,0.025093,-0.000300067],[-0.0603252,0.032675,0.0133658,0.00045399]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 32.32
G298 (kcal/mol) = 88.82

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), H(25); S(66), S(352); S(66)(+M)=>H(25)+S(352)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.677e+01 1.520e+00 -2.473e-01 -6.879e-02 / CHEB/ 3.010e+01 9.465e-02 3.670e-02 -1.067e-03 / CHEB/ -7.841e-02 -1.556e-02 -1.065e-03 5.303e-03 / CHEB/ -1.019e-01 5.027e-02 1.964e-02 -1.976e-04 / CHEB/ -1.105e-01 6.353e-02 2.509e-02 -3.001e-04 / CHEB/ -6.033e-02 3.267e-02 1.337e-02 4.540e-04 /

4552.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-7.0	+0.1	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-28.3	-6.3	+0.8	+4.1

Chebyshev(coeffs=[[-27.3415,1.5261,-0.245353,-0.0690966],[30.716,0.093416,0.0365465,-0.00074322],[-0.0143493,-0.0159895,-0.00137407,0.00521427],[-0.0856822,0.0499071,0.0196421,-6.12031e-05],[-0.105391,0.0631924,0.025162,-9.92591e-05],[-0.0584303,0.0324994,0.0133822,0.000540043]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.98
S298 (cal/mol*K) = 32.21
G298 (kcal/mol) = 90.38

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), H(25); S(66), S(42); S(66)(+M)=>H(25)+S(42)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.734e+01 1.526e+00 -2.454e-01 -6.910e-02 / CHEB/ 3.072e+01 9.342e-02 3.655e-02 -7.432e-04 / CHEB/ -1.435e-02 -1.599e-02 -1.374e-03 5.214e-03 / CHEB/ -8.568e-02 4.991e-02 1.964e-02 -6.120e-05 / CHEB/ -1.054e-01 6.319e-02 2.516e-02 -9.926e-05 / CHEB/ -5.843e-02 3.250e-02 1.338e-02 5.400e-04 /

4553.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.6	-5.2	+0.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-4.6	+1.6	+4.6

Chebyshev(coeffs=[[-23.2333,1.46362,-0.265544,-0.0647648],[27.0685,0.110964,0.038931,-0.00486264],[-0.0421428,-0.0123394,0.00163718,0.00606626],[-0.0921765,0.0531313,0.0192302,-0.00148685],[-0.103721,0.0665558,0.0242877,-0.00215912],[-0.0566051,0.0341307,0.0131404,-0.000322304]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.32
S298 (cal/mol*K) = 25.80
G298 (kcal/mol) = 80.63

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), H(25); S(66), S(353); S(66)(+M)=>H(25)+S(353)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.323e+01 1.464e+00 -2.655e-01 -6.476e-02 / CHEB/ 2.707e+01 1.110e-01 3.893e-02 -4.863e-03 / CHEB/ -4.214e-02 -1.234e-02 1.637e-03 6.066e-03 / CHEB/ -9.218e-02 5.313e-02 1.923e-02 -1.487e-03 / CHEB/ -1.037e-01 6.656e-02 2.429e-02 -2.159e-03 / CHEB/ -5.661e-02 3.413e-02 1.314e-02 -3.223e-04 /

4554.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.3	-6.8	+0.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-27.6	-6.1	+0.8	+4.0

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 32.32
G298 (kcal/mol) = 88.82

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), H(25); S(66), S(354); S(66)(+M)=>H(25)+S(354)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.677e+01 1.520e+00 -2.473e-01 -6.879e-02 / CHEB/ 3.010e+01 9.465e-02 3.670e-02 -1.067e-03 / CHEB/ -7.841e-02 -1.556e-02 -1.065e-03 5.303e-03 / CHEB/ -1.019e-01 5.027e-02 1.964e-02 -1.976e-04 / CHEB/ -1.105e-01 6.353e-02 2.509e-02 -3.001e-04 / CHEB/ -6.033e-02 3.267e-02 1.337e-02 4.540e-04 /

4555.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.7	-4.5	+1.4	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-22.0	-3.9	+2.1	+5.0

Chebyshev(coeffs=[[-21.2865,1.42616,-0.275948,-0.0609457],[25.3269,0.131722,0.042804,-0.00832556],[0.100392,-0.0074209,0.0047719,0.0065608],[-0.0489562,0.0551144,0.019175,-0.00203212],[-0.0879802,0.0679691,0.0237546,-0.00304384],[-0.0509491,0.0345898,0.0130674,-0.000562625]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.33
S298 (cal/mol*K) = 21.70
G298 (kcal/mol) = 73.87

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), H(25); S(66), S(41); S(66)(+M)=>H(25)+S(41)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.129e+01 1.426e+00 -2.759e-01 -6.095e-02 / CHEB/ 2.533e+01 1.317e-01 4.280e-02 -8.326e-03 / CHEB/ 1.004e-01 -7.421e-03 4.772e-03 6.561e-03 / CHEB/ -4.896e-02 5.511e-02 1.918e-02 -2.032e-03 / CHEB/ -8.798e-02 6.797e-02 2.375e-02 -3.044e-03 / CHEB/ -5.095e-02 3.459e-02 1.307e-02 -5.626e-04 /

4556.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.0	-10.0	-2.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-33.2	-9.3	-1.5	+2.1

Chebyshev(coeffs=[[-32.1298,1.56992,-0.229592,-0.0708365],[33.5158,0.0825266,0.0345781,0.00163978],[-0.0128701,-0.0183061,-0.00349759,0.00428349],[-0.0900991,0.0470731,0.0196008,0.000962966],[-0.109796,0.0602141,0.0254469,0.0014153],[-0.0606888,0.0310444,0.0134184,0.00117435]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), H(25); S(66), S(355); S(66)(+M)=>H(25)+S(355)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.213e+01 1.570e+00 -2.296e-01 -7.084e-02 / CHEB/ 3.352e+01 8.253e-02 3.458e-02 1.640e-03 / CHEB/ -1.287e-02 -1.831e-02 -3.498e-03 4.283e-03 / CHEB/ -9.010e-02 4.707e-02 1.960e-02 9.630e-04 / CHEB/ -1.098e-01 6.021e-02 2.545e-02 1.415e-03 / CHEB/ -6.069e-02 3.104e-02 1.342e-02 1.174e-03 /

4557.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.0	-10.0	-2.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-33.2	-9.3	-1.5	+2.1

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), H(25); S(66), S(356); S(66)(+M)=>H(25)+S(356)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.213e+01 1.570e+00 -2.296e-01 -7.084e-02 / CHEB/ 3.352e+01 8.253e-02 3.458e-02 1.640e-03 / CHEB/ -1.287e-02 -1.831e-02 -3.498e-03 4.283e-03 / CHEB/ -9.010e-02 4.707e-02 1.960e-02 9.630e-04 / CHEB/ -1.098e-01 6.021e-02 2.545e-02 1.415e-03 / CHEB/ -6.069e-02 3.104e-02 1.342e-02 1.174e-03 /

4558.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.5	-3.7	+0.9	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-17.9	-3.2	+1.5	+3.8

Chebyshev(coeffs=[[-17.4912,1.31043,-0.30335,-0.047147],[20.494,0.162403,0.0408971,-0.0175206],[-0.00859715,0.00191544,0.0100479,0.0056534],[-0.0735757,0.0590508,0.0171163,-0.00440126],[-0.0895584,0.0712266,0.0205222,-0.00621405],[-0.0496589,0.0362174,0.0119342,-0.00207845]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -52.38
G298 (kcal/mol) = 4.61

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), S(357); S(66)(+M)=>S(357)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.749e+01 1.310e+00 -3.034e-01 -4.715e-02 / CHEB/ 2.049e+01 1.624e-01 4.090e-02 -1.752e-02 / CHEB/ -8.597e-03 1.915e-03 1.005e-02 5.653e-03 / CHEB/ -7.358e-02 5.905e-02 1.712e-02 -4.401e-03 / CHEB/ -8.956e-02 7.123e-02 2.052e-02 -6.214e-03 / CHEB/ -4.966e-02 3.622e-02 1.193e-02 -2.078e-03 /

4559.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.1	+8.7	+9.3	+9.4
log₁₀(k(10 bar)/[mole,m,s])	+6.1	+8.8	+9.7	+10.0

Chebyshev(coeffs=[[6.0914,0.417482,-0.142976,0.0131598],[3.37162,0.587411,-0.164752,-0.00862526],[-0.172759,0.243184,-0.0234831,-0.029526],[-0.0744066,0.078123,0.0202099,-0.019888],[-0.0446981,0.0406005,0.0140704,-0.00823757],[-0.0299849,0.0264206,0.00787275,-0.00386803]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -51.00
G298 (kcal/mol) = 4.20

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), S(358); S(66)(+M)=>S(358)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.091e+00 4.175e-01 -1.430e-01 1.316e-02 / CHEB/ 3.372e+00 5.874e-01 -1.648e-01 -8.625e-03 / CHEB/ -1.728e-01 2.432e-01 -2.348e-02 -2.953e-02 / CHEB/ -7.441e-02 7.812e-02 2.021e-02 -1.989e-02 / CHEB/ -4.470e-02 4.060e-02 1.407e-02 -8.238e-03 / CHEB/ -2.998e-02 2.642e-02 7.873e-03 -3.868e-03 /

4560.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+5.8	+7.8	+8.5
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+6.1	+8.2	+9.2

Chebyshev(coeffs=[[-0.58766,0.834511,-0.29633,0.025053],[9.09078,0.408794,-0.0249221,-0.0581645],[-0.0526681,0.0824998,0.0305998,-0.0142104],[-0.0606744,0.0661623,0.0133302,-0.0073009],[-0.0660484,0.0680772,0.00741143,-0.00863827],[-0.0391578,0.0349056,0.00857712,-0.00433683]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.89
S298 (cal/mol*K) = 15.99
G298 (kcal/mol) = 7.12

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), C7H10(1); S(66), HO2(43); S(66)(+M)=>C7H10(1)+HO2(43)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.877e-01 8.345e-01 -2.963e-01 2.505e-02 / CHEB/ 9.091e+00 4.088e-01 -2.492e-02 -5.816e-02 / CHEB/ -5.267e-02 8.250e-02 3.060e-02 -1.421e-02 / CHEB/ -6.067e-02 6.616e-02 1.333e-02 -7.301e-03 / CHEB/ -6.605e-02 6.808e-02 7.411e-03 -8.638e-03 / CHEB/ -3.916e-02 3.491e-02 8.577e-03 -4.337e-03 /

4561.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+3.1	+6.2	+7.5
log₁₀(k(10 bar)/[mole,m,s])	-6.2	+3.5	+6.7	+8.2

Chebyshev(coeffs=[[-5.99305,1.06414,-0.323353,-0.00778105],[13.3635,0.287838,0.0246704,-0.043742],[0.0306114,0.0380421,0.0251807,-0.00111737],[-0.0484794,0.0642156,0.0138742,-0.00645079],[-0.0714143,0.0720396,0.0132486,-0.0089036],[-0.0421018,0.0362909,0.0102383,-0.00348673]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.73
S298 (cal/mol*K) = 36.63
G298 (kcal/mol) = 29.81

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), C7H10(264); S(66), HO2(43); S(66)(+M)=>C7H10(264)+HO2(43)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.993e+00 1.064e+00 -3.234e-01 -7.781e-03 / CHEB/ 1.336e+01 2.878e-01 2.467e-02 -4.374e-02 / CHEB/ 3.061e-02 3.804e-02 2.518e-02 -1.117e-03 / CHEB/ -4.848e-02 6.422e-02 1.387e-02 -6.451e-03 / CHEB/ -7.141e-02 7.204e-02 1.325e-02 -8.904e-03 / CHEB/ -4.210e-02 3.629e-02 1.024e-02 -3.487e-03 /

4562.

→

PDepNetwork #35

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	+0.5	+5.0	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-12.9	+1.0	+5.6	+7.8

Chebyshev(coeffs=[[-12.4823,1.27921,-0.30815,-0.0423042],[19.3551,0.185923,0.0426651,-0.0217679],[0.0685857,0.00699298,0.013012,0.00544585],[-0.049198,0.0599381,0.0169294,-0.00453041],[-0.080903,0.0716316,0.0199212,-0.00655225],[-0.0468876,0.0362499,0.0119303,-0.00212648]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.56
S298 (cal/mol*K) = 30.23
G298 (kcal/mol) = 51.55

! PDep reaction: PDepNetwork #35 ! Flux pairs: S(66), S(359); S(66), O(T)(344); S(66)(+M)=>S(359)+O(T)(344)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.248e+01 1.279e+00 -3.081e-01 -4.230e-02 / CHEB/ 1.936e+01 1.859e-01 4.267e-02 -2.177e-02 / CHEB/ 6.859e-02 6.993e-03 1.301e-02 5.446e-03 / CHEB/ -4.920e-02 5.994e-02 1.693e-02 -4.530e-03 / CHEB/ -8.090e-02 7.163e-02 1.992e-02 -6.552e-03 / CHEB/ -4.689e-02 3.625e-02 1.193e-02 -2.126e-03 /

4565.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+2.0	+3.7	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+1.5	+3.4	+4.2

Chebyshev(coeffs=[[2.67174,-1.7592,-0.64953,-0.0719197],[7.5039,1.40515,0.387587,-0.0396079],[0.157048,0.184138,0.138883,0.0415187],[-0.0281385,0.0420724,0.0241206,0.0129268],[-0.0494059,0.00119013,0.00504602,0.00489461],[-0.0447594,-0.0175712,-0.000373395,0.0048771]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.21
S298 (cal/mol*K) = 11.19
G298 (kcal/mol) = 13.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(416); H(25), C7H11(416); C7H10(1)+H(25)(+M)=>C7H11(416)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.672e+00 -1.759e+00 -6.495e-01 -7.192e-02 / CHEB/ 7.504e+00 1.405e+00 3.876e-01 -3.961e-02 / CHEB/ 1.570e-01 1.841e-01 1.389e-01 4.152e-02 / CHEB/ -2.814e-02 4.207e-02 2.412e-02 1.293e-02 / CHEB/ -4.941e-02 1.190e-03 5.046e-03 4.895e-03 / CHEB/ -4.476e-02 -1.757e-02 -3.734e-04 4.877e-03 /

4566.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	+0.6	+3.1	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-7.6	+0.2	+3.0	+4.2

Chebyshev(coeffs=[[-0.498636,-1.20893,-0.561228,-0.124811],[10.468,0.925317,0.369217,0.0356912],[0.264283,0.141583,0.0980852,0.0387792],[0.013465,0.0624774,0.0276604,0.00792296],[-0.0388031,0.00446242,0.00640405,0.00509889],[-0.0415318,-0.0202487,-0.00430064,0.00357907]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.76
S298 (cal/mol*K) = 36.02
G298 (kcal/mol) = 14.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(92); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.986e-01 -1.209e+00 -5.612e-01 -1.248e-01 / CHEB/ 1.047e+01 9.253e-01 3.692e-01 3.569e-02 / CHEB/ 2.643e-01 1.416e-01 9.809e-02 3.878e-02 / CHEB/ 1.346e-02 6.248e-02 2.766e-02 7.923e-03 / CHEB/ -3.880e-02 4.462e-03 6.404e-03 5.099e-03 / CHEB/ -4.153e-02 -2.025e-02 -4.301e-03 3.579e-03 /

4567.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	+1.0	+3.7	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-7.8	+0.6	+3.5	+4.8

Chebyshev(coeffs=[[-0.721227,-1.07254,-0.524199,-0.133886],[11.372,0.790003,0.340316,0.0499643],[0.22525,0.13844,0.0902683,0.035731],[0.00129171,0.0692739,0.0311691,0.00770166],[-0.0438674,0.00555,0.00674402,0.00514235],[-0.043995,-0.020526,-0.00515386,0.00307981]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.04
S298 (cal/mol*K) = 38.37
G298 (kcal/mol) = 14.60

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(417); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(417)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.212e-01 -1.073e+00 -5.242e-01 -1.339e-01 / CHEB/ 1.137e+01 7.900e-01 3.403e-01 4.996e-02 / CHEB/ 2.252e-01 1.384e-01 9.027e-02 3.573e-02 / CHEB/ 1.292e-03 6.927e-02 3.117e-02 7.702e-03 / CHEB/ -4.387e-02 5.550e-03 6.744e-03 5.142e-03 / CHEB/ -4.399e-02 -2.053e-02 -5.154e-03 3.080e-03 /

4568.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+2.4	+4.3	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+1.9	+4.1	+5.0

Chebyshev(coeffs=[[2.47963,-1.55606,-0.628693,-0.0933082],[8.44128,1.23435,0.396276,-0.0109028],[0.204477,0.165079,0.122994,0.0423819],[-0.0130473,0.0495934,0.0239093,0.0104382],[-0.0479448,0.00285702,0.00577741,0.00492959],[-0.0449561,-0.0185735,-0.00162892,0.00463793]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.88
S298 (cal/mol*K) = 50.09
G298 (kcal/mol) = -1.04

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H6(418); H(25), C2H5(419); C7H10(1)+H(25)(+M)=>C5H6(418)+C2H5(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.480e+00 -1.556e+00 -6.287e-01 -9.331e-02 / CHEB/ 8.441e+00 1.234e+00 3.963e-01 -1.090e-02 / CHEB/ 2.045e-01 1.651e-01 1.230e-01 4.238e-02 / CHEB/ -1.305e-02 4.959e-02 2.391e-02 1.044e-02 / CHEB/ -4.794e-02 2.857e-03 5.777e-03 4.930e-03 / CHEB/ -4.496e-02 -1.857e-02 -1.629e-03 4.638e-03 /

4569.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	+1.3	+4.1	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+1.0	+4.0	+5.3

Chebyshev(coeffs=[[-1.19085,-0.925573,-0.476867,-0.139199],[12.5136,0.641876,0.298023,0.0592164],[0.133852,0.135521,0.0844061,0.0333691],[-0.0277349,0.076608,0.035423,0.0081923],[-0.0602881,0.00727372,0.00714288,0.00506071],[-0.0486854,-0.0204628,-0.00601401,0.00241663]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.24
S298 (cal/mol*K) = 51.85
G298 (kcal/mol) = 15.79

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(420); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(420)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.191e+00 -9.256e-01 -4.769e-01 -1.392e-01 / CHEB/ 1.251e+01 6.419e-01 2.980e-01 5.922e-02 / CHEB/ 1.339e-01 1.355e-01 8.441e-02 3.337e-02 / CHEB/ -2.773e-02 7.661e-02 3.542e-02 8.192e-03 / CHEB/ -6.029e-02 7.274e-03 7.143e-03 5.061e-03 / CHEB/ -4.869e-02 -2.046e-02 -6.014e-03 2.417e-03 /

4570.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-0.2	+3.1	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-0.5	+3.0	+4.5

Chebyshev(coeffs=[[-4.64614,-0.630334,-0.356872,-0.130999],[15.4069,0.388631,0.205206,0.0616003],[-0.0656087,0.110873,0.0685376,0.0295211],[-0.0770819,0.0779511,0.0399371,0.0111815],[-0.0676442,0.00782719,0.00648499,0.00427283],[-0.0494524,-0.0195076,-0.00794215,3.98784e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.41
S298 (cal/mol*K) = 54.02
G298 (kcal/mol) = 31.31

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H6(421); H(25), C2H5(419); C7H10(1)+H(25)(+M)=>C2H5(419)+C5H6(421)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.646e+00 -6.303e-01 -3.569e-01 -1.310e-01 / CHEB/ 1.541e+01 3.886e-01 2.052e-01 6.160e-02 / CHEB/ -6.561e-02 1.109e-01 6.854e-02 2.952e-02 / CHEB/ -7.708e-02 7.795e-02 3.994e-02 1.118e-02 / CHEB/ -6.764e-02 7.827e-03 6.485e-03 4.273e-03 / CHEB/ -4.945e-02 -1.951e-02 -7.942e-03 3.988e-05 /

4571.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-6.7	-1.3	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-24.4	-6.8	-1.4	+1.1

Chebyshev(coeffs=[[-17.1416,-0.251776,-0.161686,-0.0777311],[24.7603,0.128453,0.0806931,0.0370629],[-0.257411,0.0549642,0.0354165,0.0171476],[-0.145236,0.0485213,0.0298216,0.0130919],[-0.0799656,0.00316699,0.00275316,0.00198863],[-0.0431805,-0.0130262,-0.00753323,-0.00284249]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.24
S298 (cal/mol*K) = 54.20
G298 (kcal/mol) = 63.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(422); H(25), CH3(423); C7H10(1)+H(25)(+M)=>C6H8(422)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.714e+01 -2.518e-01 -1.617e-01 -7.773e-02 / CHEB/ 2.476e+01 1.285e-01 8.069e-02 3.706e-02 / CHEB/ -2.574e-01 5.496e-02 3.542e-02 1.715e-02 / CHEB/ -1.452e-01 4.852e-02 2.982e-02 1.309e-02 / CHEB/ -7.997e-02 3.167e-03 2.753e-03 1.989e-03 / CHEB/ -4.318e-02 -1.303e-02 -7.533e-03 -2.842e-03 /

4572.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.4	-10.5	-4.2	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-30.5	-10.6	-4.3	-1.3

Chebyshev(coeffs=[[-22.9955,-0.200887,-0.131067,-0.0649617],[28.0395,0.0984815,0.0632769,0.0304311],[-0.133135,0.0455787,0.0295164,0.0144335],[-0.108518,0.0404223,0.0254971,0.0118205],[-0.0639678,0.00173999,0.00171023,0.0013761],[-0.0346695,-0.0112607,-0.00676022,-0.00280538]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.87
S298 (cal/mol*K) = 46.38
G298 (kcal/mol) = 75.05

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(112); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.300e+01 -2.009e-01 -1.311e-01 -6.496e-02 / CHEB/ 2.804e+01 9.848e-02 6.328e-02 3.043e-02 / CHEB/ -1.331e-01 4.558e-02 2.952e-02 1.443e-02 / CHEB/ -1.085e-01 4.042e-02 2.550e-02 1.182e-02 / CHEB/ -6.397e-02 1.740e-03 1.710e-03 1.376e-03 / CHEB/ -3.467e-02 -1.126e-02 -6.760e-03 -2.805e-03 /

4573.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-4.8	-0.5	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-18.7	-5.0	-0.5	+1.5

Chebyshev(coeffs=[[-11.4663,-0.461568,-0.275604,-0.114246],[19.068,0.267452,0.151896,0.0554706],[0.0697927,0.0870385,0.0548547,0.0253063],[-0.0427486,0.068683,0.0378411,0.0128709],[-0.0544573,0.00602234,0.00497852,0.00333627],[-0.0389042,-0.0179157,-0.0087134,-0.00173828]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.28
S298 (cal/mol*K) = 39.95
G298 (kcal/mol) = 46.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(67); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.147e+01 -4.616e-01 -2.756e-01 -1.142e-01 / CHEB/ 1.907e+01 2.675e-01 1.519e-01 5.547e-02 / CHEB/ 6.979e-02 8.704e-02 5.485e-02 2.531e-02 / CHEB/ -4.275e-02 6.868e-02 3.784e-02 1.287e-02 / CHEB/ -5.446e-02 6.022e-03 4.979e-03 3.336e-03 / CHEB/ -3.890e-02 -1.792e-02 -8.713e-03 -1.738e-03 /

4574.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.7	-12.0	-4.6	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-12.1	-4.6	-1.1

Chebyshev(coeffs=[[-28.0183,-0.118341,-0.0793081,-0.0412663],[33.4731,0.0524383,0.034989,0.0180586],[-0.282115,0.0307605,0.0202329,0.0101758],[-0.153841,0.025597,0.0168325,0.00846012],[-0.0738845,-0.000376717,6.54216e-05,0.000327612],[-0.0345192,-0.00773202,-0.00490323,-0.00229374]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.58
S298 (cal/mol*K) = 59.08
G298 (kcal/mol) = 89.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(424); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(424)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.802e+01 -1.183e-01 -7.931e-02 -4.127e-02 / CHEB/ 3.347e+01 5.244e-02 3.499e-02 1.806e-02 / CHEB/ -2.821e-01 3.076e-02 2.023e-02 1.018e-02 / CHEB/ -1.538e-01 2.560e-02 1.683e-02 8.460e-03 / CHEB/ -7.388e-02 -3.767e-04 6.542e-05 3.276e-04 / CHEB/ -3.452e-02 -7.732e-03 -4.903e-03 -2.294e-03 /

4575.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.3	-10.8	-4.2	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-10.9	-4.3	-1.1

Chebyshev(coeffs=[[-23.7679,-0.190275,-0.124704,-0.0623088],[28.8799,0.0929391,0.0600821,0.029225],[-0.0793227,0.0438022,0.0284645,0.0140029],[-0.094243,0.0387958,0.0246257,0.011559],[-0.0594119,0.00148991,0.00151743,0.00125857],[-0.0330267,-0.0108771,-0.00658358,-0.00278189]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 90.22
S298 (cal/mol*K) = 41.96
G298 (kcal/mol) = 77.72

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(425); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.377e+01 -1.903e-01 -1.247e-01 -6.231e-02 / CHEB/ 2.888e+01 9.294e-02 6.008e-02 2.922e-02 / CHEB/ -7.932e-02 4.380e-02 2.846e-02 1.400e-02 / CHEB/ -9.424e-02 3.880e-02 2.463e-02 1.156e-02 / CHEB/ -5.941e-02 1.490e-03 1.517e-03 1.259e-03 / CHEB/ -3.303e-02 -1.088e-02 -6.584e-03 -2.782e-03 /

4576.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.9	-8.5	-2.7	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-27.0	-8.6	-2.7	+0.0

Chebyshev(coeffs=[[-19.5507,-0.246743,-0.158438,-0.0762169],[25.832,0.124887,0.0784309,0.0360582],[-0.0885253,0.0538728,0.0346523,0.0167335],[-0.0947214,0.0476379,0.0293338,0.0129365],[-0.062582,0.00306564,0.00268085,0.00193937],[-0.036694,-0.0127723,-0.0074036,-0.00281731]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.31
S298 (cal/mol*K) = 47.17
G298 (kcal/mol) = 67.26

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(426); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(426)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.955e+01 -2.467e-01 -1.584e-01 -7.622e-02 / CHEB/ 2.583e+01 1.249e-01 7.843e-02 3.606e-02 / CHEB/ -8.853e-02 5.387e-02 3.465e-02 1.673e-02 / CHEB/ -9.472e-02 4.764e-02 2.933e-02 1.294e-02 / CHEB/ -6.258e-02 3.066e-03 2.681e-03 1.939e-03 / CHEB/ -3.669e-02 -1.277e-02 -7.404e-03 -2.817e-03 /

4577.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.0	-13.3	-5.9	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-36.1	-13.3	-6.0	-2.5

Chebyshev(coeffs=[[-28.2893,-0.14391,-0.0957047,-0.0491161],[32.0959,0.0668035,0.044089,0.0223037],[-0.0916722,0.0353654,0.0231474,0.0115375],[-0.0980808,0.0304758,0.0198004,0.0097278],[-0.057408,0.000221741,0.000547733,0.000651096],[-0.0300047,-0.00893105,-0.0055749,-0.00252314]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.62
S298 (cal/mol*K) = 42.64
G298 (kcal/mol) = 88.92

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(427); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(427)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.829e+01 -1.439e-01 -9.570e-02 -4.912e-02 / CHEB/ 3.210e+01 6.680e-02 4.409e-02 2.230e-02 / CHEB/ -9.167e-02 3.537e-02 2.315e-02 1.154e-02 / CHEB/ -9.808e-02 3.048e-02 1.980e-02 9.728e-03 / CHEB/ -5.741e-02 2.217e-04 5.477e-04 6.511e-04 / CHEB/ -3.000e-02 -8.931e-03 -5.575e-03 -2.523e-03 /

4578.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.1	+1.3	+3.3	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+0.8	+3.0	+4.1

Chebyshev(coeffs=[[2.36328,-1.35441,-0.378412,0.00422686],[7.24597,1.00153,0.126731,-0.0875817],[0.456541,0.12274,0.111102,0.0176036],[0.0447817,0.074225,0.0367343,0.0162281],[-0.0330464,0.0362485,0.0171345,0.00606169],[-0.0415598,-0.00704866,0.00345869,0.00372472]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.98
S298 (cal/mol*K) = 3.53
G298 (kcal/mol) = -24.03

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(428); H(25), C7H11(428); C7H10(1)+H(25)(+M)=>C7H11(428)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.363e+00 -1.354e+00 -3.784e-01 4.227e-03 / CHEB/ 7.246e+00 1.002e+00 1.267e-01 -8.758e-02 / CHEB/ 4.565e-01 1.227e-01 1.111e-01 1.760e-02 / CHEB/ 4.478e-02 7.422e-02 3.673e-02 1.623e-02 / CHEB/ -3.305e-02 3.625e-02 1.713e-02 6.062e-03 / CHEB/ -4.156e-02 -7.049e-03 3.459e-03 3.725e-03 /

4579.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.4	-12.6	-5.8	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-34.5	-12.7	-5.8	-2.6

Chebyshev(coeffs=[[-26.8344,-0.154675,-0.102524,-0.0523001],[30.718,0.0728512,0.0478544,0.0239969],[-0.21076,0.0373148,0.0243794,0.0121118],[-0.133175,0.0324747,0.0209881,0.0102073],[-0.0698275,0.000503468,0.000767541,0.00079267],[-0.0349219,-0.00940915,-0.00583305,-0.00260107]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.89
S298 (cal/mol*K) = 49.61
G298 (kcal/mol) = 83.11

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(429); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(429)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.683e+01 -1.547e-01 -1.025e-01 -5.230e-02 / CHEB/ 3.072e+01 7.285e-02 4.785e-02 2.400e-02 / CHEB/ -2.108e-01 3.731e-02 2.438e-02 1.211e-02 / CHEB/ -1.332e-01 3.247e-02 2.099e-02 1.021e-02 / CHEB/ -6.983e-02 5.035e-04 7.675e-04 7.927e-04 / CHEB/ -3.492e-02 -9.409e-03 -5.833e-03 -2.601e-03 /

4580.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-1.1	+1.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-1.4	+1.4	+2.7

Chebyshev(coeffs=[[-2.90312,-1.04993,-0.518018,-0.135337],[11.4937,0.762823,0.33294,0.0515881],[0.18053,0.140551,0.0903356,0.0353766],[-0.00898943,0.0712632,0.0320732,0.00773935],[-0.0478854,0.00582531,0.00684461,0.00518081],[-0.045475,-0.0205318,-0.00523475,0.00306167]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.10
S298 (cal/mol*K) = 10.80
G298 (kcal/mol) = -45.31

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(430); H(25), C7H11(430); C7H10(1)+H(25)(+M)=>C7H11(430)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.903e+00 -1.050e+00 -5.180e-01 -1.353e-01 / CHEB/ 1.149e+01 7.628e-01 3.329e-01 5.159e-02 / CHEB/ 1.805e-01 1.406e-01 9.034e-02 3.538e-02 / CHEB/ -8.989e-03 7.126e-02 3.207e-02 7.739e-03 / CHEB/ -4.789e-02 5.825e-03 6.845e-03 5.181e-03 / CHEB/ -4.547e-02 -2.053e-02 -5.235e-03 3.062e-03 /

4581.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-40.6	-14.8	-6.6	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-40.7	-14.9	-6.6	-2.7

Chebyshev(coeffs=[[-32.6758,-0.0927857,-0.0626478,-0.0330304],[36.443,0.0380536,0.0256637,0.0135012],[-0.221265,0.0261194,0.0172917,0.00879967],[-0.135265,0.0205984,0.0136986,0.00702893],[-0.0656273,-0.000806119,-0.000312286,4.93226e-05],[-0.0303324,-0.00644435,-0.00414984,-0.00200222]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 108.18
S298 (cal/mol*K) = 55.30
G298 (kcal/mol) = 91.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H4(432); H(25), C3H7(431); C7H10(1)+H(25)(+M)=>C3H7(431)+C4H4(432)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.268e+01 -9.279e-02 -6.265e-02 -3.303e-02 / CHEB/ 3.644e+01 3.805e-02 2.566e-02 1.350e-02 / CHEB/ -2.213e-01 2.612e-02 1.729e-02 8.800e-03 / CHEB/ -1.353e-01 2.060e-02 1.370e-02 7.029e-03 / CHEB/ -6.563e-02 -8.061e-04 -3.123e-04 4.932e-05 / CHEB/ -3.033e-02 -6.444e-03 -4.150e-03 -2.002e-03 /

4604.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+3.3	+4.6	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+2.1	+3.9	+4.6

Chebyshev(coeffs=[[5.85841,-2.47929,-0.169413,0.0341583],[4.60769,1.30515,-0.238594,-0.0452624],[0.413584,0.325025,0.0514199,-0.0317731],[-0.0101183,0.189234,0.0316013,-0.0107429],[-0.0988456,0.0914515,0.0264793,-0.00876836],[-0.0847519,0.0127031,0.024488,-0.00226961]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.63
S298 (cal/mol*K) = 4.25
G298 (kcal/mol) = -2.89

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(735); H(25), C7H11(735); C7H10(1)+H(25)(+M)=>C7H11(735)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.858e+00 -2.479e+00 -1.694e-01 3.416e-02 / CHEB/ 4.608e+00 1.305e+00 -2.386e-01 -4.526e-02 / CHEB/ 4.136e-01 3.250e-01 5.142e-02 -3.177e-02 / CHEB/ -1.012e-02 1.892e-01 3.160e-02 -1.074e-02 / CHEB/ -9.885e-02 9.145e-02 2.648e-02 -8.768e-03 / CHEB/ -8.475e-02 1.270e-02 2.449e-02 -2.270e-03 /

4605.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-3.1	+0.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-3.9	-0.2	+1.5

Chebyshev(coeffs=[[-6.61266,-1.32162,-0.3539,0.00452629],[13.9727,0.581559,0.0554619,-0.0463168],[0.183225,0.318436,0.0665327,-0.025888],[0.00841114,0.182543,0.0530575,-0.00608034],[-0.052266,0.0486912,0.0358895,0.00653781],[-0.0503771,-0.0134938,0.0148558,0.00958599]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.00
S298 (cal/mol*K) = 34.38
G298 (kcal/mol) = 27.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(625); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(625)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.613e+00 -1.322e+00 -3.539e-01 4.526e-03 / CHEB/ 1.397e+01 5.816e-01 5.546e-02 -4.632e-02 / CHEB/ 1.832e-01 3.184e-01 6.653e-02 -2.589e-02 / CHEB/ 8.411e-03 1.825e-01 5.306e-02 -6.080e-03 / CHEB/ -5.227e-02 4.869e-02 3.589e-02 6.538e-03 / CHEB/ -5.038e-02 -1.349e-02 1.486e-02 9.586e-03 /

4606.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-0.9	+1.8	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-1.8	+1.4	+2.8

Chebyshev(coeffs=[[-2.31412,-1.6192,-0.334184,0.013885],[10.8161,0.775373,0.0169748,-0.0467478],[0.393047,0.354899,0.0533028,-0.0311544],[0.0383557,0.186792,0.0513599,-0.00916147],[-0.0571697,0.0571893,0.039839,0.00215997],[-0.0569052,-0.00809583,0.0197529,0.00789438]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.71
S298 (cal/mol*K) = 31.16
G298 (kcal/mol) = 12.43

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(153); H(25), H(25); C7H10(1)+H(25)(+M)=>C7H10(153)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.314e+00 -1.619e+00 -3.342e-01 1.389e-02 / CHEB/ 1.082e+01 7.754e-01 1.697e-02 -4.675e-02 / CHEB/ 3.930e-01 3.549e-01 5.330e-02 -3.115e-02 / CHEB/ 3.836e-02 1.868e-01 5.136e-02 -9.161e-03 / CHEB/ -5.717e-02 5.719e-02 3.984e-02 2.160e-03 / CHEB/ -5.691e-02 -8.096e-03 1.975e-02 7.894e-03 /

4607.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	+0.2	+2.8	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-0.7	+2.3	+3.6

Chebyshev(coeffs=[[-1.34513,-1.60542,-0.342442,0.0139248],[10.8682,0.70843,0.0154541,-0.0456875],[0.207408,0.352887,0.0471988,-0.0318034],[-0.00198704,0.191981,0.0474204,-0.0105389],[-0.0702641,0.0602181,0.0386296,0.000979804],[-0.0631773,-0.0057694,0.020111,0.00694323]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.66
S298 (cal/mol*K) = 47.59
G298 (kcal/mol) = 13.48

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(736); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(736)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.345e+00 -1.605e+00 -3.424e-01 1.392e-02 / CHEB/ 1.087e+01 7.084e-01 1.545e-02 -4.569e-02 / CHEB/ 2.074e-01 3.529e-01 4.720e-02 -3.180e-02 / CHEB/ -1.987e-03 1.920e-01 4.742e-02 -1.054e-02 / CHEB/ -7.026e-02 6.022e-02 3.863e-02 9.798e-04 / CHEB/ -6.318e-02 -5.769e-03 2.011e-02 6.943e-03 /

4608.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-3.2	-0.1	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-4.0	-0.5	+1.0

Chebyshev(coeffs=[[-6.34951,-1.36933,-0.355263,0.00648609],[13.3812,0.582584,0.0468031,-0.0462206],[0.116178,0.323863,0.061155,-0.0276603],[-0.00953113,0.187038,0.0511071,-0.00769981],[-0.0602077,0.0526316,0.036422,0.0050952],[-0.0550221,-0.0110631,0.0162365,0.0089222]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.67
S298 (cal/mol*K) = 13.68
G298 (kcal/mol) = -13.74

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(737); H(25), C7H11(737); C7H10(1)+H(25)(+M)=>C7H11(737)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.350e+00 -1.369e+00 -3.553e-01 6.486e-03 / CHEB/ 1.338e+01 5.826e-01 4.680e-02 -4.622e-02 / CHEB/ 1.162e-01 3.239e-01 6.115e-02 -2.766e-02 / CHEB/ -9.531e-03 1.870e-01 5.111e-02 -7.700e-03 / CHEB/ -6.021e-02 5.263e-02 3.642e-02 5.095e-03 / CHEB/ -5.502e-02 -1.106e-02 1.624e-02 8.922e-03 /

4609.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.0	+1.2	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-2.0	+0.6	+1.7

Chebyshev(coeffs=[[-1.10981,-1.83436,-0.323512,0.0212832],[8.71714,0.823946,-0.0201662,-0.0471103],[0.239731,0.372363,0.0323706,-0.0317303],[-0.0104744,0.192841,0.0419304,-0.0126217],[-0.0831967,0.0667964,0.0384214,-0.00312241],[-0.0717775,-0.000302259,0.0227371,0.00425274]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.91
S298 (cal/mol*K) = 8.61
G298 (kcal/mol) = -23.47

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(289); H(25), C7H11(289); C7H10(1)+H(25)(+M)=>C7H11(289)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.110e+00 -1.834e+00 -3.235e-01 2.128e-02 / CHEB/ 8.717e+00 8.239e-01 -2.017e-02 -4.711e-02 / CHEB/ 2.397e-01 3.724e-01 3.237e-02 -3.173e-02 / CHEB/ -1.047e-02 1.928e-01 4.193e-02 -1.262e-02 / CHEB/ -8.320e-02 6.680e-02 3.842e-02 -3.122e-03 / CHEB/ -7.178e-02 -3.023e-04 2.274e-02 4.253e-03 /

4610.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-3.0	-0.0	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-3.8	-0.5	+1.0

Chebyshev(coeffs=[[-5.46472,-1.45687,-0.350448,0.00956809],[12.4025,0.636672,0.0361885,-0.0463555],[0.177554,0.335671,0.0570913,-0.0295496],[0.000120683,0.188767,0.0504089,-0.00858282],[-0.0616759,0.0549145,0.0376173,0.00380273],[-0.057081,-0.00958156,0.0176991,0.00841813]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.83
S298 (cal/mol*K) = 11.63
G298 (kcal/mol) = -0.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(738); H(25), C7H11(738); C7H10(1)+H(25)(+M)=>C7H11(738)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.465e+00 -1.457e+00 -3.504e-01 9.568e-03 / CHEB/ 1.240e+01 6.367e-01 3.619e-02 -4.636e-02 / CHEB/ 1.776e-01 3.357e-01 5.709e-02 -2.955e-02 / CHEB/ 1.207e-04 1.888e-01 5.041e-02 -8.583e-03 / CHEB/ -6.168e-02 5.491e-02 3.762e-02 3.803e-03 / CHEB/ -5.708e-02 -9.582e-03 1.770e-02 8.418e-03 /

4611.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	+0.2	+2.3	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-0.9	+1.7	+2.9

Chebyshev(coeffs=[[0.632916,-1.95221,-0.298887,0.0262407],[7.91514,0.961564,-0.045758,-0.0531929],[0.446163,0.372112,0.0373509,-0.0290325],[0.0222102,0.190222,0.0436853,-0.0124911],[-0.0755824,0.069154,0.0393087,-0.00382651],[-0.0688704,6.94945e-05,0.0238484,0.00411603]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.03
S298 (cal/mol*K) = 11.21
G298 (kcal/mol) = 1.69

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(739); H(25), C7H11(739); C7H10(1)+H(25)(+M)=>C7H11(739)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.329e-01 -1.952e+00 -2.989e-01 2.624e-02 / CHEB/ 7.915e+00 9.616e-01 -4.576e-02 -5.319e-02 / CHEB/ 4.462e-01 3.721e-01 3.735e-02 -2.903e-02 / CHEB/ 2.221e-02 1.902e-01 4.369e-02 -1.249e-02 / CHEB/ -7.558e-02 6.915e-02 3.931e-02 -3.827e-03 / CHEB/ -6.887e-02 6.949e-05 2.385e-02 4.116e-03 /

4612.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.5	-11.0	-4.8	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-30.9	-11.3	-4.9	-1.9

Chebyshev(coeffs=[[-23.343,-0.528244,-0.26707,-0.0701482],[27.7476,0.207643,0.0949311,0.0142336],[-0.169335,0.164232,0.0744844,0.0111921],[-0.0625842,0.102656,0.0464827,0.00771159],[-0.0428409,0.0123023,0.0117027,0.00814614],[-0.0300179,-0.0203811,-0.00384351,0.00477008]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.78
S298 (cal/mol*K) = 45.54
G298 (kcal/mol) = 75.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(216); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(216)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.334e+01 -5.282e-01 -2.671e-01 -7.015e-02 / CHEB/ 2.775e+01 2.076e-01 9.493e-02 1.423e-02 / CHEB/ -1.693e-01 1.642e-01 7.448e-02 1.119e-02 / CHEB/ -6.258e-02 1.027e-01 4.648e-02 7.712e-03 / CHEB/ -4.284e-02 1.230e-02 1.170e-02 8.146e-03 / CHEB/ -3.002e-02 -2.038e-02 -3.844e-03 4.770e-03 /

4613.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.7	-13.2	-6.3	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-35.0	-13.4	-6.4	-3.0

Chebyshev(coeffs=[[-27.3123,-0.42444,-0.229653,-0.0737337],[30.5994,0.163125,0.0829234,0.0207677],[-0.168777,0.136093,0.0671817,0.0152807],[-0.0627392,0.0875315,0.0426676,0.00955239],[-0.0400116,0.00883592,0.00851338,0.00632566],[-0.0267693,-0.0191087,-0.00552654,0.0026786]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.28
S298 (cal/mol*K) = 46.19
G298 (kcal/mol) = 84.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(144); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.731e+01 -4.244e-01 -2.297e-01 -7.373e-02 / CHEB/ 3.060e+01 1.631e-01 8.292e-02 2.077e-02 / CHEB/ -1.688e-01 1.361e-01 6.718e-02 1.528e-02 / CHEB/ -6.274e-02 8.753e-02 4.267e-02 9.552e-03 / CHEB/ -4.001e-02 8.836e-03 8.513e-03 6.326e-03 / CHEB/ -2.677e-02 -1.911e-02 -5.527e-03 2.679e-03 /

4614.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.6	-9.5	-3.2	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-29.9	-9.8	-3.3	-0.3

Chebyshev(coeffs=[[-22.4091,-0.477483,-0.249617,-0.0726079],[28.5896,0.185997,0.0896757,0.0179001],[-0.278939,0.1507,0.0712626,0.0133839],[-0.0948883,0.0953607,0.0447527,0.00864487],[-0.0521364,0.0105032,0.0100957,0.00729378],[-0.0321998,-0.0198646,-0.00473837,0.00376653]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 92.61
S298 (cal/mol*K) = 57.13
G298 (kcal/mol) = 75.58

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(740); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(740)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.241e+01 -4.775e-01 -2.496e-01 -7.261e-02 / CHEB/ 2.859e+01 1.860e-01 8.968e-02 1.790e-02 / CHEB/ -2.789e-01 1.507e-01 7.126e-02 1.338e-02 / CHEB/ -9.489e-02 9.536e-02 4.475e-02 8.645e-03 / CHEB/ -5.214e-02 1.050e-02 1.010e-02 7.294e-03 / CHEB/ -3.220e-02 -1.986e-02 -4.738e-03 3.767e-03 /

4615.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.9	-8.2	-3.5	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-8.7	-3.8	-1.4

Chebyshev(coeffs=[[-16.0207,-0.87112,-0.341773,-0.0332621],[20.6673,0.363844,0.103417,-0.0217602],[-3.45556e-05,0.244367,0.0824883,-0.0067837],[-0.019676,0.145521,0.0530546,0.00174412],[-0.0405105,0.0268359,0.0235071,0.0111056],[-0.0361814,-0.0207793,0.00390936,0.00942331]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.69
S298 (cal/mol*K) = 32.22
G298 (kcal/mol) = 55.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(57); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.602e+01 -8.711e-01 -3.418e-01 -3.326e-02 / CHEB/ 2.067e+01 3.638e-01 1.034e-01 -2.176e-02 / CHEB/ -3.456e-05 2.444e-01 8.249e-02 -6.784e-03 / CHEB/ -1.968e-02 1.455e-01 5.305e-02 1.744e-03 / CHEB/ -4.051e-02 2.684e-02 2.351e-02 1.111e-02 / CHEB/ -3.618e-02 -2.078e-02 3.909e-03 9.423e-03 /

4616.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.9	-14.6	-7.5	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-37.2	-14.9	-7.5	-4.0

Chebyshev(coeffs=[[-29.4111,-0.395747,-0.218106,-0.0736365],[31.6167,0.150666,0.0787369,0.0218411],[-0.137691,0.127997,0.0646575,0.0161044],[-0.0538509,0.0831904,0.0414074,0.0100013],[-0.0362587,0.00802403,0.00770362,0.00577986],[-0.0248084,-0.0186015,-0.00588219,0.00208378]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.28
S298 (cal/mol*K) = 43.49
G298 (kcal/mol) = 88.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(140); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.941e+01 -3.957e-01 -2.181e-01 -7.364e-02 / CHEB/ 3.162e+01 1.507e-01 7.874e-02 2.184e-02 / CHEB/ -1.377e-01 1.280e-01 6.466e-02 1.610e-02 / CHEB/ -5.385e-02 8.319e-02 4.141e-02 1.000e-02 / CHEB/ -3.626e-02 8.024e-03 7.704e-03 5.780e-03 / CHEB/ -2.481e-02 -1.860e-02 -5.882e-03 2.084e-03 /

4617.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.9	-14.1	-6.7	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-37.2	-14.3	-6.8	-3.2

Chebyshev(coeffs=[[-29.3222,-0.376073,-0.209879,-0.073255],[32.3419,0.142084,0.0756457,0.0223632],[-0.116674,0.122376,0.0627976,0.016575],[-0.0478219,0.080164,0.0404838,0.0102863],[-0.0337159,0.00750323,0.00716891,0.00540075],[-0.0234701,-0.0182116,-0.00609411,0.00167759]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.48
S298 (cal/mol*K) = 43.07
G298 (kcal/mol) = 90.65

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(143); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.932e+01 -3.761e-01 -2.099e-01 -7.325e-02 / CHEB/ 3.234e+01 1.421e-01 7.565e-02 2.236e-02 / CHEB/ -1.167e-01 1.224e-01 6.280e-02 1.657e-02 / CHEB/ -4.782e-02 8.016e-02 4.048e-02 1.029e-02 / CHEB/ -3.372e-02 7.503e-03 7.169e-03 5.401e-03 / CHEB/ -2.347e-02 -1.821e-02 -6.094e-03 1.678e-03 /

4618.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-1.2	+1.1	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-2.2	+0.5	+1.7

Chebyshev(coeffs=[[-1.58234,-1.79669,-0.324893,0.0197825],[9.11534,0.823741,-0.0133327,-0.047112],[0.294374,0.369705,0.0369751,-0.0317855],[0.00469472,0.191947,0.0443076,-0.0120747],[-0.0760365,0.065448,0.0390878,-0.00211433],[-0.0682693,-0.00172009,0.0223795,0.00506886]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.92
S298 (cal/mol*K) = 5.52
G298 (kcal/mol) = -6.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(741); H(25), C7H11(741); C7H10(1)+H(25)(+M)=>C7H11(741)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.582e+00 -1.797e+00 -3.249e-01 1.978e-02 / CHEB/ 9.115e+00 8.237e-01 -1.333e-02 -4.711e-02 / CHEB/ 2.944e-01 3.697e-01 3.698e-02 -3.179e-02 / CHEB/ 4.695e-03 1.919e-01 4.431e-02 -1.207e-02 / CHEB/ -7.604e-02 6.545e-02 3.909e-02 -2.114e-03 / CHEB/ -6.827e-02 -1.720e-03 2.238e-02 5.069e-03 /

4619.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	-1.6	+1.1	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-2.5	+0.6	+2.0

Chebyshev(coeffs=[[-3.35573,-1.56702,-0.344921,0.0128517],[11.2499,0.688715,0.0208353,-0.0458235],[0.196815,0.348655,0.049684,-0.0313986],[-0.00202711,0.19148,0.0481747,-0.0101032],[-0.0683109,0.0589921,0.0384376,0.00168135],[-0.0617461,-0.00670475,0.0195498,0.00733405]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.06
S298 (cal/mol*K) = 12.23
G298 (kcal/mol) = -10.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(742); H(25), C7H11(742); C7H10(1)+H(25)(+M)=>C7H11(742)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.356e+00 -1.567e+00 -3.449e-01 1.285e-02 / CHEB/ 1.125e+01 6.887e-01 2.084e-02 -4.582e-02 / CHEB/ 1.968e-01 3.487e-01 4.968e-02 -3.140e-02 / CHEB/ -2.027e-03 1.915e-01 4.817e-02 -1.010e-02 / CHEB/ -6.831e-02 5.899e-02 3.844e-02 1.681e-03 / CHEB/ -6.175e-02 -6.705e-03 1.955e-02 7.334e-03 /

4620.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.4	-13.1	-5.6	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-36.7	-13.3	-5.7	-2.0

Chebyshev(coeffs=[[-28.8976,-0.33701,-0.192786,-0.0716764],[33.2097,0.125012,0.0689971,0.0228451],[-0.219297,0.111013,0.0587674,0.0172569],[-0.0785126,0.0740166,0.0384908,0.0107819],[-0.0427691,0.00655543,0.00616105,0.00464544],[-0.025769,-0.0173288,-0.00643035,0.000884395]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.63
S298 (cal/mol*K) = 55.43
G298 (kcal/mol) = 82.11

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(574); H(25), C3H5(129); C7H10(1)+H(25)(+M)=>C4H6(574)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.890e+01 -3.370e-01 -1.928e-01 -7.168e-02 / CHEB/ 3.321e+01 1.250e-01 6.900e-02 2.285e-02 / CHEB/ -2.193e-01 1.110e-01 5.877e-02 1.726e-02 / CHEB/ -7.851e-02 7.402e-02 3.849e-02 1.078e-02 / CHEB/ -4.277e-02 6.555e-03 6.161e-03 4.645e-03 / CHEB/ -2.577e-02 -1.733e-02 -6.430e-03 8.844e-04 /

4621.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.8	-9.7	-3.6	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-29.3	-10.0	-3.7	-0.7

Chebyshev(coeffs=[[-21.6615,-0.558464,-0.276703,-0.0681353],[27.1682,0.220388,0.0974918,0.0116959],[-0.130341,0.172091,0.0760996,0.00974408],[-0.0511261,0.106921,0.0473999,0.0071356],[-0.0399062,0.0134688,0.0126984,0.00860977],[-0.0296286,-0.0205976,-0.00325216,0.00534151]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.42
S298 (cal/mol*K) = 47.48
G298 (kcal/mol) = 64.27

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(214); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C4H6(214)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.166e+01 -5.585e-01 -2.767e-01 -6.814e-02 / CHEB/ 2.717e+01 2.204e-01 9.749e-02 1.170e-02 / CHEB/ -1.303e-01 1.721e-01 7.610e-02 9.744e-03 / CHEB/ -5.113e-02 1.069e-01 4.740e-02 7.136e-03 / CHEB/ -3.991e-02 1.347e-02 1.270e-02 8.610e-03 / CHEB/ -2.963e-02 -2.060e-02 -3.252e-03 5.342e-03 /

4622.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-40.0	-16.7	-9.1	-5.4
log₁₀(k(10 bar)/[mole,m,s])	-40.2	-16.9	-9.2	-5.4

Chebyshev(coeffs=[[-32.2946,-0.35533,-0.200682,-0.0722399],[32.9991,0.139113,0.0751824,0.0233646],[-0.0530818,0.116131,0.0608355,0.0172723],[-0.0311304,0.0754801,0.0388933,0.0106054],[-0.0287548,0.00591022,0.00614197,0.00493864],[-0.0208084,-0.0181754,-0.00657562,0.0011029]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 105.13
S298 (cal/mol*K) = 37.24
G298 (kcal/mol) = 94.04

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(743); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(743)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.229e+01 -3.553e-01 -2.007e-01 -7.224e-02 / CHEB/ 3.300e+01 1.391e-01 7.518e-02 2.336e-02 / CHEB/ -5.308e-02 1.161e-01 6.084e-02 1.727e-02 / CHEB/ -3.113e-02 7.548e-02 3.889e-02 1.061e-02 / CHEB/ -2.875e-02 5.910e-03 6.142e-03 4.939e-03 / CHEB/ -2.081e-02 -1.818e-02 -6.576e-03 1.103e-03 /

4625.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+2.6	+4.2	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+1.7	+3.7	+4.7

Chebyshev(coeffs=[[4.60031,-2.67837,-0.400575,0.0427909],[5.71748,1.98802,0.0628734,-0.108444],[0.398684,0.340277,0.0955774,-0.00139482],[0.0283873,0.0442223,0.0442512,0.00536658],[0.0112287,0.0143663,0.0248936,0.00214528],[-0.0197069,0.0144331,0.0146172,0.00188827]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.86
S298 (cal/mol*K) = 25.87
G298 (kcal/mol) = -8.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(539); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(539)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.600e+00 -2.678e+00 -4.006e-01 4.279e-02 / CHEB/ 5.717e+00 1.988e+00 6.287e-02 -1.084e-01 / CHEB/ 3.987e-01 3.403e-01 9.558e-02 -1.395e-03 / CHEB/ 2.839e-02 4.422e-02 4.425e-02 5.367e-03 / CHEB/ 1.123e-02 1.437e-02 2.489e-02 2.145e-03 / CHEB/ -1.971e-02 1.443e-02 1.462e-02 1.888e-03 /

4626.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+2.2	+3.8	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+1.3	+3.4	+4.4

Chebyshev(coeffs=[[3.84808,-2.56421,-0.4194,0.0355794],[6.1766,1.89863,0.0892236,-0.101536],[0.400001,0.325205,0.0935727,-0.000381826],[0.0300041,0.0405863,0.0444955,0.00332343],[0.00671056,0.0177227,0.0243824,0.00320156],[-0.0221835,0.0161012,0.0140238,0.00265337]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.32
S298 (cal/mol*K) = 27.20
G298 (kcal/mol) = -3.78

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(93); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.848e+00 -2.564e+00 -4.194e-01 3.558e-02 / CHEB/ 6.177e+00 1.899e+00 8.922e-02 -1.015e-01 / CHEB/ 4.000e-01 3.252e-01 9.357e-02 -3.818e-04 / CHEB/ 3.000e-02 4.059e-02 4.450e-02 3.323e-03 / CHEB/ 6.711e-03 1.772e-02 2.438e-02 3.202e-03 / CHEB/ -2.218e-02 1.610e-02 1.402e-02 2.653e-03 /

4627.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+2.8	+4.5	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+1.9	+4.0	+5.1

Chebyshev(coeffs=[[4.25557,-2.48203,-0.435405,0.0294832],[6.4654,1.8113,0.108392,-0.0941937],[0.357035,0.321949,0.089761,-0.00174574],[0.0220381,0.0408357,0.0441244,0.00228213],[2.64445e-05,0.0212173,0.0235563,0.00383557],[-0.0247079,0.0172761,0.0137459,0.00274858]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.32
S298 (cal/mol*K) = 42.26
G298 (kcal/mol) = -7.27

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(540); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(540)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.256e+00 -2.482e+00 -4.354e-01 2.948e-02 / CHEB/ 6.465e+00 1.811e+00 1.084e-01 -9.419e-02 / CHEB/ 3.570e-01 3.219e-01 8.976e-02 -1.746e-03 / CHEB/ 2.204e-02 4.084e-02 4.412e-02 2.282e-03 / CHEB/ 2.644e-05 2.122e-02 2.356e-02 3.836e-03 / CHEB/ -2.471e-02 1.728e-02 1.375e-02 2.749e-03 /

4628.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+2.1	+3.7	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+1.2	+3.2	+4.3

Chebyshev(coeffs=[[3.71054,-2.55089,-0.425068,0.0346251],[6.19067,1.8677,0.0932837,-0.099998],[0.360824,0.327726,0.0908736,-0.00102784],[0.0187724,0.0424234,0.0439332,0.00282247],[0.00174346,0.0193467,0.0239708,0.00316668],[-0.0237909,0.016639,0.0139871,0.00243839]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.34
S298 (cal/mol*K) = 1.05
G298 (kcal/mol) = -44.65

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(541); H(25), C7H11(541); C7H10(1)+H(25)(+M)=>C7H11(541)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.711e+00 -2.551e+00 -4.251e-01 3.463e-02 / CHEB/ 6.191e+00 1.868e+00 9.328e-02 -1.000e-01 / CHEB/ 3.608e-01 3.277e-01 9.087e-02 -1.028e-03 / CHEB/ 1.877e-02 4.242e-02 4.393e-02 2.822e-03 / CHEB/ 1.743e-03 1.935e-02 2.397e-02 3.167e-03 / CHEB/ -2.379e-02 1.664e-02 1.399e-02 2.438e-03 /

4629.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+0.1	+2.1	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-0.7	+1.7	+2.9

Chebyshev(coeffs=[[0.691063,-2.16749,-0.468203,0.00478212],[7.83199,1.56932,0.163451,-0.0652972],[0.367789,0.288442,0.0924712,-0.00756641],[0.0458469,0.0404944,0.0425472,0.0037132],[-0.00346663,0.0282479,0.0215833,0.00647255],[-0.026031,0.0178541,0.0130898,0.00365605]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.15
S298 (cal/mol*K) = 6.92
G298 (kcal/mol) = -20.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(543); H(25), C7H11(543); C7H10(1)+H(25)(+M)=>C7H11(543)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.911e-01 -2.167e+00 -4.682e-01 4.782e-03 / CHEB/ 7.832e+00 1.569e+00 1.635e-01 -6.530e-02 / CHEB/ 3.678e-01 2.884e-01 9.247e-02 -7.566e-03 / CHEB/ 4.585e-02 4.049e-02 4.255e-02 3.713e-03 / CHEB/ -3.467e-03 2.825e-02 2.158e-02 6.473e-03 / CHEB/ -2.603e-02 1.785e-02 1.309e-02 3.656e-03 /

4630.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+3.0	+4.2	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+2.0	+3.7	+4.6

Chebyshev(coeffs=[[5.41241,-2.86123,-0.376374,0.0528116],[4.90558,2.07647,0.0243112,-0.114853],[0.303433,0.381427,0.0909777,-0.00676918],[0.00501026,0.0570447,0.0435033,0.00895437],[0.0104215,0.0126532,0.0240732,0.00110472],[-0.0171961,0.0118691,0.0152853,-0.000384306]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.95
S298 (cal/mol*K) = 6.50
G298 (kcal/mol) = -17.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(544); H(25), C7H11(544); C7H10(1)+H(25)(+M)=>C7H11(544)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.412e+00 -2.861e+00 -3.764e-01 5.281e-02 / CHEB/ 4.906e+00 2.076e+00 2.431e-02 -1.149e-01 / CHEB/ 3.034e-01 3.814e-01 9.098e-02 -6.769e-03 / CHEB/ 5.010e-03 5.704e-02 4.350e-02 8.954e-03 / CHEB/ 1.042e-02 1.265e-02 2.407e-02 1.105e-03 / CHEB/ -1.720e-02 1.187e-02 1.529e-02 -3.843e-04 /

4631.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-3.9	+0.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-18.7	-4.1	+0.5	+2.7

Chebyshev(coeffs=[[-11.693,-0.478813,-0.265804,-0.0924326],[20.7354,0.232168,0.121566,0.0351724],[-0.270418,0.0839156,0.0469755,0.0164062],[-0.0776508,0.072238,0.0357179,0.00854362],[-0.0316943,0.0332732,0.0184113,0.00627577],[-0.0181885,0.00260068,0.00390399,0.00354508]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.87
S298 (cal/mol*K) = 55.67
G298 (kcal/mol) = 50.28

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(545); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C5H8(545)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.169e+01 -4.788e-01 -2.658e-01 -9.243e-02 / CHEB/ 2.074e+01 2.322e-01 1.216e-01 3.517e-02 / CHEB/ -2.704e-01 8.392e-02 4.698e-02 1.641e-02 / CHEB/ -7.765e-02 7.224e-02 3.572e-02 8.544e-03 / CHEB/ -3.169e-02 3.327e-02 1.841e-02 6.276e-03 / CHEB/ -1.819e-02 2.601e-03 3.904e-03 3.545e-03 /

4632.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-4.5	-1.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-5.0	-1.3	+0.5

Chebyshev(coeffs=[[-7.97083,-1.07421,-0.439395,-0.0688026],[14.1914,0.675095,0.220163,0.00216835],[0.240069,0.164133,0.0829048,0.0119073],[0.0554755,0.0823873,0.0353779,0.00615043],[-0.00111527,0.0413457,0.01953,0.00558686],[-0.0165573,0.00717054,0.00871335,0.0051101]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.26
S298 (cal/mol*K) = 26.04
G298 (kcal/mol) = 33.51

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(235); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.971e+00 -1.074e+00 -4.394e-01 -6.880e-02 / CHEB/ 1.419e+01 6.751e-01 2.202e-01 2.168e-03 / CHEB/ 2.401e-01 1.641e-01 8.290e-02 1.191e-02 / CHEB/ 5.548e-02 8.239e-02 3.538e-02 6.150e-03 / CHEB/ -1.115e-03 4.135e-02 1.953e-02 5.587e-03 / CHEB/ -1.656e-02 7.171e-03 8.713e-03 5.110e-03 /

4633.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.9	-7.4	-2.4	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-7.6	-2.5	+0.0

Chebyshev(coeffs=[[-15.9694,-0.459406,-0.257499,-0.0917079],[22.1029,0.220771,0.117309,0.0354713],[-0.0642684,0.0807665,0.0453983,0.0160892],[-0.0170404,0.0705462,0.0352529,0.00873395],[-0.0112742,0.0323589,0.0181103,0.00634544],[-0.0106263,0.0024501,0.00372376,0.0034217]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.75
S298 (cal/mol*K) = 41.41
G298 (kcal/mol) = 57.41

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(230); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.597e+01 -4.594e-01 -2.575e-01 -9.171e-02 / CHEB/ 2.210e+01 2.208e-01 1.173e-01 3.547e-02 / CHEB/ -6.427e-02 8.077e-02 4.540e-02 1.609e-02 / CHEB/ -1.704e-02 7.055e-02 3.525e-02 8.734e-03 / CHEB/ -1.127e-02 3.236e-02 1.811e-02 6.345e-03 / CHEB/ -1.063e-02 2.450e-03 3.724e-03 3.422e-03 /

4634.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.3	-7.2	-2.4	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-22.6	-7.5	-2.5	-0.1

Chebyshev(coeffs=[[-15.3771,-0.485539,-0.268634,-0.0926364],[21.4165,0.236291,0.123077,0.0350426],[-0.0871703,0.0848908,0.0474714,0.0165069],[-0.0241677,0.0727871,0.0358619,0.0084777],[-0.0140606,0.0335868,0.0185131,0.0062512],[-0.0120663,0.00265276,0.00396511,0.00358564]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.70
S298 (cal/mol*K) = 41.87
G298 (kcal/mol) = 55.23

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(128); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.538e+01 -4.855e-01 -2.686e-01 -9.264e-02 / CHEB/ 2.142e+01 2.363e-01 1.231e-01 3.504e-02 / CHEB/ -8.717e-02 8.489e-02 4.747e-02 1.651e-02 / CHEB/ -2.417e-02 7.279e-02 3.586e-02 8.478e-03 / CHEB/ -1.406e-02 3.359e-02 1.851e-02 6.251e-03 / CHEB/ -1.207e-02 2.653e-03 3.965e-03 3.586e-03 /

4635.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.5	-7.9	-2.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-23.8	-8.2	-2.9	-0.3

Chebyshev(coeffs=[[-16.4756,-0.461606,-0.25823,-0.0915389],[22.1642,0.227967,0.120511,0.0358973],[-0.00842966,0.0808895,0.0456785,0.016356],[0.0176068,0.0693115,0.0347261,0.00871154],[0.0160557,0.0311499,0.0175896,0.00630059],[-0.00254028,0.00186407,0.00346378,0.00339006]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.30
S298 (cal/mol*K) = 38.46
G298 (kcal/mol) = 57.84

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(59); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.648e+01 -4.616e-01 -2.582e-01 -9.154e-02 / CHEB/ 2.216e+01 2.280e-01 1.205e-01 3.590e-02 / CHEB/ -8.430e-03 8.089e-02 4.568e-02 1.636e-02 / CHEB/ 1.761e-02 6.931e-02 3.473e-02 8.712e-03 / CHEB/ 1.606e-02 3.115e-02 1.759e-02 6.301e-03 / CHEB/ -2.540e-03 1.864e-03 3.464e-03 3.390e-03 /

4636.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.6	-10.8	-4.9	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-28.8	-10.9	-5.0	-2.1

Chebyshev(coeffs=[[-21.3983,-0.337216,-0.20075,-0.0824041],[25.3803,0.152054,0.0884716,0.0341596],[-0.0573359,0.0606567,0.0349531,0.0133473],[-0.0156486,0.0577562,0.0310995,0.00974507],[-0.00908996,0.0255999,0.0154719,0.00647852],[-0.00754919,0.00161563,0.00259106,0.00252541]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.30
S298 (cal/mol*K) = 38.78
G298 (kcal/mol) = 68.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(233); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.140e+01 -3.372e-01 -2.008e-01 -8.240e-02 / CHEB/ 2.538e+01 1.521e-01 8.847e-02 3.416e-02 / CHEB/ -5.734e-02 6.066e-02 3.495e-02 1.335e-02 / CHEB/ -1.565e-02 5.776e-02 3.110e-02 9.745e-03 / CHEB/ -9.090e-03 2.560e-02 1.547e-02 6.479e-03 / CHEB/ -7.549e-03 1.616e-03 2.591e-03 2.525e-03 /

4637.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.6	-10.2	-4.2	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-28.8	-10.4	-4.3	-1.2

Chebyshev(coeffs=[[-21.2845,-0.31738,-0.190772,-0.0800042],[26.0945,0.141393,0.0834428,0.0333349],[-0.0405324,0.0573544,0.0331901,0.0128071],[-0.0106692,0.0553181,0.0301896,0.00983631],[-0.00725616,0.0243394,0.0149029,0.00642057],[-0.00654034,0.00149925,0.00241016,0.00236485]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.50
S298 (cal/mol*K) = 38.36
G298 (kcal/mol) = 71.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(53); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.128e+01 -3.174e-01 -1.908e-01 -8.000e-02 / CHEB/ 2.609e+01 1.414e-01 8.344e-02 3.333e-02 / CHEB/ -4.053e-02 5.735e-02 3.319e-02 1.281e-02 / CHEB/ -1.067e-02 5.532e-02 3.019e-02 9.836e-03 / CHEB/ -7.256e-03 2.434e-02 1.490e-02 6.421e-03 / CHEB/ -6.540e-03 1.499e-03 2.410e-03 2.365e-03 /

4638.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+2.8	+4.2	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+1.9	+3.7	+4.7

Chebyshev(coeffs=[[4.93583,-2.73442,-0.397429,0.0461341],[5.42943,1.99391,0.0513842,-0.110532],[0.327954,0.352377,0.0920538,-0.00305112],[0.00472202,0.0506332,0.0428077,0.00580825],[0.00466657,0.0155493,0.0242686,0.00148299],[-0.0211534,0.0144564,0.014757,0.000934682]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.53
S298 (cal/mol*K) = 15.43
G298 (kcal/mol) = -17.12

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(546); H(25), C7H11(546); C7H10(1)+H(25)(+M)=>C7H11(546)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.936e+00 -2.734e+00 -3.974e-01 4.613e-02 / CHEB/ 5.429e+00 1.994e+00 5.138e-02 -1.105e-01 / CHEB/ 3.280e-01 3.524e-01 9.205e-02 -3.051e-03 / CHEB/ 4.722e-03 5.063e-02 4.281e-02 5.808e-03 / CHEB/ 4.667e-03 1.555e-02 2.427e-02 1.483e-03 / CHEB/ -2.115e-02 1.446e-02 1.476e-02 9.347e-04 /

4639.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.6	-12.8	-6.5	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-31.8	-12.9	-6.6	-3.5

Chebyshev(coeffs=[[-24.2288,-0.296925,-0.180098,-0.0770342],[26.748,0.137062,0.0816675,0.033379],[0.0205161,0.0535004,0.0312771,0.0123694],[0.00423178,0.0514086,0.0285356,0.0097592],[-0.00362022,0.0218918,0.0137265,0.00621141],[-0.00461711,0.000737217,0.00187881,0.00209308]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.15
S298 (cal/mol*K) = 32.53
G298 (kcal/mol) = 74.46

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(548); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(548)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.423e+01 -2.969e-01 -1.801e-01 -7.703e-02 / CHEB/ 2.675e+01 1.371e-01 8.167e-02 3.338e-02 / CHEB/ 2.052e-02 5.350e-02 3.128e-02 1.237e-02 / CHEB/ 4.232e-03 5.141e-02 2.854e-02 9.759e-03 / CHEB/ -3.620e-03 2.189e-02 1.373e-02 6.211e-03 / CHEB/ -4.617e-03 7.372e-04 1.879e-03 2.093e-03 /

4651.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+0.5	+1.0	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+0.1	+0.8	+1.3

Chebyshev(coeffs=[[5.50742,-0.796503,-0.383777,-0.0958404],[1.27533,0.497321,0.196258,0.0155183],[0.336227,0.135864,0.0858063,0.0321734],[0.106523,0.0715476,0.0369521,0.0124058],[0.0210131,0.0182996,0.00894464,0.00285105],[-0.00767362,-0.00704913,-0.00105276,0.00156731]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.50
S298 (cal/mol*K) = -33.69
G298 (kcal/mol) = -25.46

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(744); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(744)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.507e+00 -7.965e-01 -3.838e-01 -9.584e-02 / CHEB/ 1.275e+00 4.973e-01 1.963e-01 1.552e-02 / CHEB/ 3.362e-01 1.359e-01 8.581e-02 3.217e-02 / CHEB/ 1.065e-01 7.155e-02 3.695e-02 1.241e-02 / CHEB/ 2.101e-02 1.830e-02 8.945e-03 2.851e-03 / CHEB/ -7.674e-03 -7.049e-03 -1.053e-03 1.567e-03 /

4652.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	-1.4	-0.6	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-3.3	-1.7	-0.8	-0.2

Chebyshev(coeffs=[[3.36366,-0.768655,-0.374542,-0.0966079],[1.79703,0.49812,0.199203,0.0174847],[0.456359,0.119975,0.0804259,0.0331016],[0.113655,0.0633205,0.0337255,0.0123239],[0.0139569,0.0170461,0.00836391,0.00263063],[-0.0117118,-0.00629007,-0.0010276,0.00134105]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.74
S298 (cal/mol*K) = -54.00
G298 (kcal/mol) = -56.65

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(745); C2H4(72), C7H11(745); C5H7(210)+C2H4(72)(+M)=>C7H11(745)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.364e+00 -7.687e-01 -3.745e-01 -9.661e-02 / CHEB/ 1.797e+00 4.981e-01 1.992e-01 1.748e-02 / CHEB/ 4.564e-01 1.200e-01 8.043e-02 3.310e-02 / CHEB/ 1.137e-01 6.332e-02 3.373e-02 1.232e-02 / CHEB/ 1.396e-02 1.705e-02 8.364e-03 2.631e-03 / CHEB/ -1.171e-02 -6.290e-03 -1.028e-03 1.341e-03 /

4653.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	-1.2	-0.4	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-3.3	-1.5	-0.6	-0.0

Chebyshev(coeffs=[[3.35157,-0.759449,-0.371448,-0.0968241],[1.99149,0.497711,0.200033,0.0182308],[0.500613,0.115115,0.078729,0.0333731],[0.110692,0.0612081,0.0328478,0.0122658],[0.00439975,0.016818,0.00824886,0.00256686],[-0.0145725,-0.00612634,-0.00103559,0.00128111]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.64
S298 (cal/mol*K) = -52.63
G298 (kcal/mol) = -44.96

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(746); C2H4(72), C7H11(746); C5H7(210)+C2H4(72)(+M)=>C7H11(746)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.352e+00 -7.594e-01 -3.714e-01 -9.682e-02 / CHEB/ 1.991e+00 4.977e-01 2.000e-01 1.823e-02 / CHEB/ 5.006e-01 1.151e-01 7.873e-02 3.337e-02 / CHEB/ 1.107e-01 6.121e-02 3.285e-02 1.227e-02 / CHEB/ 4.400e-03 1.682e-02 8.249e-03 2.567e-03 / CHEB/ -1.457e-02 -6.126e-03 -1.036e-03 1.281e-03 /

4654.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+1.3	+1.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+0.9	+1.1	+1.2

Chebyshev(coeffs=[[6.69557,-0.841614,-0.400037,-0.0958148],[0.446814,0.474834,0.183464,0.0116961],[0.0325607,0.151462,0.0891104,0.0292735],[0.0205074,0.0882117,0.04213,0.0112782],[0.00202512,0.0262567,0.0116707,0.00270311],[-0.0112247,-0.004868,0.000203266,0.00188855]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -75.64
S298 (cal/mol*K) = -53.36
G298 (kcal/mol) = -59.74

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(747); C2H4(72), C7H11(747); C5H7(210)+C2H4(72)(+M)=>C7H11(747)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.696e+00 -8.416e-01 -4.000e-01 -9.581e-02 / CHEB/ 4.468e-01 4.748e-01 1.835e-01 1.170e-02 / CHEB/ 3.256e-02 1.515e-01 8.911e-02 2.927e-02 / CHEB/ 2.051e-02 8.821e-02 4.213e-02 1.128e-02 / CHEB/ 2.025e-03 2.626e-02 1.167e-02 2.703e-03 / CHEB/ -1.122e-02 -4.868e-03 2.033e-04 1.889e-03 /

4655.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+1.4	+1.2	+1.1
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+1.0	+1.0	+1.0

Chebyshev(coeffs=[[6.86755,-0.855615,-0.404996,-0.0957413],[0.206248,0.466225,0.179087,0.0106666],[-0.0607378,0.155282,0.0896419,0.028311],[-0.0077735,0.0935258,0.0435788,0.0107687],[-0.00451238,0.0292366,0.012561,0.00253786],[-0.0123261,-0.00385021,0.00065819,0.00192748]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -75.14
S298 (cal/mol*K) = -53.36
G298 (kcal/mol) = -59.24

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(748); C2H4(72), C7H11(748); C5H7(210)+C2H4(72)(+M)=>C7H11(748)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.868e+00 -8.556e-01 -4.050e-01 -9.574e-02 / CHEB/ 2.062e-01 4.662e-01 1.791e-01 1.067e-02 / CHEB/ -6.074e-02 1.553e-01 8.964e-02 2.831e-02 / CHEB/ -7.774e-03 9.353e-02 4.358e-02 1.077e-02 / CHEB/ -4.512e-03 2.924e-02 1.256e-02 2.538e-03 / CHEB/ -1.233e-02 -3.850e-03 6.582e-04 1.927e-03 /

4656.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.9	-9.4	-6.0	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-19.0	-9.5	-6.0	-4.2

Chebyshev(coeffs=[[-11.9718,-0.250634,-0.160301,-0.0764335],[13.3042,0.131806,0.0813776,0.0360291],[0.356601,0.0460266,0.0307698,0.0158894],[0.133715,0.0374484,0.0231604,0.0103155],[0.0193939,0.00871483,0.00568072,0.00281591],[-0.00961104,-0.00450705,-0.00241534,-0.000707346]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.46
S298 (cal/mol*K) = -21.49
G298 (kcal/mol) = 46.86

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(749); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(749)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.197e+01 -2.506e-01 -1.603e-01 -7.643e-02 / CHEB/ 1.330e+01 1.318e-01 8.138e-02 3.603e-02 / CHEB/ 3.566e-01 4.603e-02 3.077e-02 1.589e-02 / CHEB/ 1.337e-01 3.745e-02 2.316e-02 1.032e-02 / CHEB/ 1.939e-02 8.715e-03 5.681e-03 2.816e-03 / CHEB/ -9.611e-03 -4.507e-03 -2.415e-03 -7.073e-04 /

4657.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-6.8	-3.9	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-6.9	-4.0	-2.4

Chebyshev(coeffs=[[-7.25859,-0.342756,-0.209891,-0.0916566],[10.1382,0.201588,0.116081,0.0437185],[0.506365,0.0569817,0.0388044,0.0204641],[0.155454,0.0417977,0.0249005,0.0102883],[0.0183956,0.010085,0.0062742,0.00284816],[-0.011321,-0.00527635,-0.0025001,-0.000391707]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.36
S298 (cal/mol*K) = -22.87
G298 (kcal/mol) = 35.17

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(750); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(750)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.259e+00 -3.428e-01 -2.099e-01 -9.166e-02 / CHEB/ 1.014e+01 2.016e-01 1.161e-01 4.372e-02 / CHEB/ 5.064e-01 5.698e-02 3.880e-02 2.046e-02 / CHEB/ 1.555e-01 4.180e-02 2.490e-02 1.029e-02 / CHEB/ 1.840e-02 1.009e-02 6.274e-03 2.848e-03 / CHEB/ -1.132e-02 -5.276e-03 -2.500e-03 -3.917e-04 /

4658.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-6.2	-3.6	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-6.4	-3.6	-2.2

Chebyshev(coeffs=[[-6.2148,-0.371866,-0.224361,-0.0949544],[9.32242,0.224908,0.126471,0.0448202],[0.543732,0.0598269,0.0411077,0.0218614],[0.157629,0.0426009,0.025143,0.010216],[0.0170947,0.0104677,0.00640654,0.00281551],[-0.0118415,-0.00541803,-0.00245866,-0.000264899]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.46
S298 (cal/mol*K) = -22.22
G298 (kcal/mol) = 32.08

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(751); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(751)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.215e+00 -3.719e-01 -2.244e-01 -9.495e-02 / CHEB/ 9.322e+00 2.249e-01 1.265e-01 4.482e-02 / CHEB/ 5.437e-01 5.983e-02 4.111e-02 2.186e-02 / CHEB/ 1.576e-01 4.260e-02 2.514e-02 1.022e-02 / CHEB/ 1.709e-02 1.047e-02 6.407e-03 2.816e-03 / CHEB/ -1.184e-02 -5.418e-03 -2.459e-03 -2.649e-04 /

4659.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-6.3	-3.6	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-6.5	-3.7	-2.2

Chebyshev(coeffs=[[-6.38889,-0.367131,-0.222046,-0.0944645],[9.4514,0.221083,0.124807,0.0446846],[0.538125,0.0593806,0.0407382,0.0216355],[0.157438,0.0424851,0.0251105,0.0102276],[0.0173462,0.0104054,0.0063859,0.00282184],[-0.011753,-0.00539806,-0.00246723,-0.000285936]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.96
S298 (cal/mol*K) = -22.22
G298 (kcal/mol) = 32.58

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(752); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(752)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.389e+00 -3.671e-01 -2.220e-01 -9.446e-02 / CHEB/ 9.451e+00 2.211e-01 1.248e-01 4.468e-02 / CHEB/ 5.381e-01 5.938e-02 4.074e-02 2.164e-02 / CHEB/ 1.574e-01 4.249e-02 2.511e-02 1.023e-02 / CHEB/ 1.735e-02 1.041e-02 6.386e-03 2.822e-03 / CHEB/ -1.175e-02 -5.398e-03 -2.467e-03 -2.859e-04 /

4660.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.7	-8.8	-4.9	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-8.9	-5.0	-3.0

Chebyshev(coeffs=[[-12.7441,-0.202911,-0.132396,-0.0655888],[15.4103,0.0986142,0.062862,0.0297394],[0.233874,0.0393452,0.0261888,0.0134463],[0.105124,0.0336954,0.0213206,0.00994511],[0.015016,0.00771401,0.0051449,0.00265654],[-0.00961964,-0.00389978,-0.00220652,-0.000774111]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.79
S298 (cal/mol*K) = -14.83
G298 (kcal/mol) = 44.21

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(753); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(753)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.274e+01 -2.029e-01 -1.324e-01 -6.559e-02 / CHEB/ 1.541e+01 9.861e-02 6.286e-02 2.974e-02 / CHEB/ 2.339e-01 3.935e-02 2.619e-02 1.345e-02 / CHEB/ 1.051e-01 3.370e-02 2.132e-02 9.945e-03 / CHEB/ 1.502e-02 7.714e-03 5.145e-03 2.657e-03 / CHEB/ -9.620e-03 -3.900e-03 -2.207e-03 -7.741e-04 /

4661.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.8	-10.8	-7.1	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-20.9	-10.9	-7.1	-5.1

Chebyshev(coeffs=[[-13.757,-0.24148,-0.154998,-0.0744199],[14.0018,0.12799,0.0794261,0.0355521],[0.445774,0.044188,0.0296076,0.0153555],[0.164055,0.0361468,0.022469,0.0101136],[0.0346813,0.00811036,0.00534336,0.00270029],[-0.00456647,-0.0045519,-0.00247636,-0.000765963]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.06
S298 (cal/mol*K) = -28.26
G298 (kcal/mol) = 50.48

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(754); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(754)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.376e+01 -2.415e-01 -1.550e-01 -7.442e-02 / CHEB/ 1.400e+01 1.280e-01 7.943e-02 3.555e-02 / CHEB/ 4.458e-01 4.419e-02 2.961e-02 1.536e-02 / CHEB/ 1.641e-01 3.615e-02 2.247e-02 1.011e-02 / CHEB/ 3.468e-02 8.110e-03 5.343e-03 2.700e-03 / CHEB/ -4.566e-03 -4.552e-03 -2.476e-03 -7.660e-04 /

4677.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.4	+3.7	+3.7	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.4	+3.6	+3.6

Chebyshev(coeffs=[[9.05979,-0.679218,-0.369831,-0.123069],[0.463287,0.35627,0.179435,0.0455821],[0.120335,0.18655,0.0953382,0.0254312],[0.0280493,0.0835145,0.044347,0.0138917],[-0.0245295,-0.0133143,-0.000822197,0.00559064],[-0.0279639,-0.0292358,-0.0112382,0.000539037]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.06
S298 (cal/mol*K) = -58.42
G298 (kcal/mol) = -45.65

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(755); C2H4(72), C7H11(755); C5H7(210)+C2H4(72)(+M)=>C7H11(755)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.060e+00 -6.792e-01 -3.698e-01 -1.231e-01 / CHEB/ 4.633e-01 3.563e-01 1.794e-01 4.558e-02 / CHEB/ 1.203e-01 1.865e-01 9.534e-02 2.543e-02 / CHEB/ 2.805e-02 8.351e-02 4.435e-02 1.389e-02 / CHEB/ -2.453e-02 -1.331e-02 -8.222e-04 5.591e-03 / CHEB/ -2.796e-02 -2.924e-02 -1.124e-02 5.390e-04 /

4678.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+2.5	+3.6	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+2.3	+3.6	+4.3

Chebyshev(coeffs=[[7.10526,-0.447316,-0.257612,-0.099107],[2.27048,0.265467,0.14268,0.0453339],[0.718152,0.099776,0.0562022,0.0202978],[0.175406,0.054554,0.0322799,0.0130957],[0.00893485,-0.00733414,-0.000164921,0.00361183],[-0.0195903,-0.0192612,-0.00917756,-0.00171137]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.73
S298 (cal/mol*K) = -21.01
G298 (kcal/mol) = -14.47

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(238); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>C7H10(238)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.105e+00 -4.473e-01 -2.576e-01 -9.911e-02 / CHEB/ 2.270e+00 2.655e-01 1.427e-01 4.533e-02 / CHEB/ 7.182e-01 9.978e-02 5.620e-02 2.030e-02 / CHEB/ 1.754e-01 5.455e-02 3.228e-02 1.310e-02 / CHEB/ 8.935e-03 -7.334e-03 -1.649e-04 3.612e-03 / CHEB/ -1.959e-02 -1.926e-02 -9.178e-03 -1.711e-03 /

4679.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+0.8	+2.7	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+0.6	+2.7	+3.7

Chebyshev(coeffs=[[2.86852,-0.402075,-0.242925,-0.103022],[6.0555,0.23591,0.136031,0.0513915],[0.668746,0.108533,0.0645867,0.0263484],[0.141172,0.042234,0.025872,0.0113428],[-0.018158,-0.0160837,-0.00696266,-0.000331547],[-0.0309569,-0.0204294,-0.0108874,-0.00322072]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.12
S298 (cal/mol*K) = -1.93
G298 (kcal/mol) = 13.70

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H6(756); C2H4(72), C3H5(98); C5H7(210)+C2H4(72)(+M)=>C3H5(98)+C4H6(756)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.869e+00 -4.021e-01 -2.429e-01 -1.030e-01 / CHEB/ 6.056e+00 2.359e-01 1.360e-01 5.139e-02 / CHEB/ 6.687e-01 1.085e-01 6.459e-02 2.635e-02 / CHEB/ 1.412e-01 4.223e-02 2.587e-02 1.134e-02 / CHEB/ -1.816e-02 -1.608e-02 -6.963e-03 -3.315e-04 / CHEB/ -3.096e-02 -2.043e-02 -1.089e-02 -3.221e-03 /

4680.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.2	-6.0	-2.5	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-15.4	-6.1	-2.5	-0.7

Chebyshev(coeffs=[[-8.15067,-0.226457,-0.146935,-0.0720283],[12.7876,0.0977442,0.0626295,0.0299357],[0.539153,0.0783605,0.0492244,0.0225992],[0.169312,0.0367319,0.0231746,0.0107501],[0.00926766,-0.00968181,-0.00516684,-0.00148513],[-0.0216845,-0.0152931,-0.00899009,-0.00353443]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.20
S298 (cal/mol*K) = -10.57
G298 (kcal/mol) = 40.35

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(165); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.151e+00 -2.265e-01 -1.469e-01 -7.203e-02 / CHEB/ 1.279e+01 9.774e-02 6.263e-02 2.994e-02 / CHEB/ 5.392e-01 7.836e-02 4.922e-02 2.260e-02 / CHEB/ 1.693e-01 3.673e-02 2.317e-02 1.075e-02 / CHEB/ 9.268e-03 -9.682e-03 -5.167e-03 -1.485e-03 / CHEB/ -2.168e-02 -1.529e-02 -8.990e-03 -3.534e-03 /

4681.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-4.8	-1.2	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-4.9	-1.3	+0.6

Chebyshev(coeffs=[[-7.07811,-0.170204,-0.110775,-0.0546358],[12.973,0.0646491,0.0411374,0.0193957],[0.556531,0.0554615,0.0348166,0.0159647],[0.169512,0.032171,0.0206985,0.00998887],[0.0145686,-0.00319842,-0.00110322,0.000370319],[-0.0170378,-0.0103274,-0.00605754,-0.00236825]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.60
S298 (cal/mol*K) = -9.92
G298 (kcal/mol) = 40.55

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(168); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.078e+00 -1.702e-01 -1.108e-01 -5.464e-02 / CHEB/ 1.297e+01 6.465e-02 4.114e-02 1.940e-02 / CHEB/ 5.565e-01 5.546e-02 3.482e-02 1.596e-02 / CHEB/ 1.695e-01 3.217e-02 2.070e-02 9.989e-03 / CHEB/ 1.457e-02 -3.198e-03 -1.103e-03 3.703e-04 / CHEB/ -1.704e-02 -1.033e-02 -6.058e-03 -2.368e-03 /

4682.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-4.3	-0.9	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-4.4	-0.9	+0.8

Chebyshev(coeffs=[[-6.93128,-0.202182,-0.132307,-0.0659089],[13.3251,0.0814446,0.0528054,0.0258302],[0.326875,0.0720139,0.0457065,0.0214315],[0.111983,0.0350808,0.0223152,0.0105209],[-0.00593773,-0.00841419,-0.00460643,-0.00145138],[-0.0263095,-0.0142197,-0.00849795,-0.00347947]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.02
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = 40.63

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(757); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(757)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.931e+00 -2.022e-01 -1.323e-01 -6.591e-02 / CHEB/ 1.333e+01 8.144e-02 5.281e-02 2.583e-02 / CHEB/ 3.269e-01 7.201e-02 4.571e-02 2.143e-02 / CHEB/ 1.120e-01 3.508e-02 2.232e-02 1.052e-02 / CHEB/ -5.938e-03 -8.414e-03 -4.606e-03 -1.451e-03 / CHEB/ -2.631e-02 -1.422e-02 -8.498e-03 -3.479e-03 /

4683.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-8.5	-4.1	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-8.6	-4.2	-1.9

Chebyshev(coeffs=[[-13.0152,-0.168653,-0.111602,-0.0567526],[16.4688,0.060563,0.0398523,0.0200501],[0.480879,0.0622928,0.0401198,0.0193693],[0.162183,0.0321388,0.0207079,0.0100111],[0.0161732,-0.0065816,-0.00372252,-0.00130224],[-0.0171075,-0.0125095,-0.00765518,-0.00331298]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.70
S298 (cal/mol*K) = -12.62
G298 (kcal/mol) = 53.46

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(173); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.302e+01 -1.687e-01 -1.116e-01 -5.675e-02 / CHEB/ 1.647e+01 6.056e-02 3.985e-02 2.005e-02 / CHEB/ 4.809e-01 6.229e-02 4.012e-02 1.937e-02 / CHEB/ 1.622e-01 3.214e-02 2.071e-02 1.001e-02 / CHEB/ 1.617e-02 -6.582e-03 -3.723e-03 -1.302e-03 / CHEB/ -1.711e-02 -1.251e-02 -7.655e-03 -3.313e-03 /

4684.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-7.9	-3.4	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-7.9	-3.4	-1.0

Chebyshev(coeffs=[[-12.8409,-0.160633,-0.106567,-0.0544463],[17.1515,0.0558724,0.0368869,0.0186721],[0.483862,0.0598121,0.038658,0.0187926],[0.163905,0.0313026,0.0202356,0.00984507],[0.0180577,-0.00613721,-0.0034963,-0.00124969],[-0.0160344,-0.0120581,-0.0074216,-0.00325388]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.90
S298 (cal/mol*K) = -13.04
G298 (kcal/mol) = 55.78

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(178); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.284e+01 -1.606e-01 -1.066e-01 -5.445e-02 / CHEB/ 1.715e+01 5.587e-02 3.689e-02 1.867e-02 / CHEB/ 4.839e-01 5.981e-02 3.866e-02 1.879e-02 / CHEB/ 1.639e-01 3.130e-02 2.024e-02 9.845e-03 / CHEB/ 1.806e-02 -6.137e-03 -3.496e-03 -1.250e-03 / CHEB/ -1.603e-02 -1.206e-02 -7.422e-03 -3.254e-03 /

4685.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+2.8	+2.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+2.5	+2.7	+2.8

Chebyshev(coeffs=[[8.14647,-0.677221,-0.368928,-0.122926],[0.511862,0.357055,0.179892,0.0457579],[0.136056,0.185616,0.0950391,0.0255126],[0.0316312,0.0826206,0.0439899,0.0138854],[-0.0243828,-0.0136461,-0.00101829,0.00551748],[-0.0282217,-0.0292144,-0.0112963,0.000464741]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.13
S298 (cal/mol*K) = -59.01
G298 (kcal/mol) = -51.55

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(646); C2H4(72), C7H11(646); C5H7(210)+C2H4(72)(+M)=>C7H11(646)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.146e+00 -6.772e-01 -3.689e-01 -1.229e-01 / CHEB/ 5.119e-01 3.571e-01 1.799e-01 4.576e-02 / CHEB/ 1.361e-01 1.856e-01 9.504e-02 2.551e-02 / CHEB/ 3.163e-02 8.262e-02 4.399e-02 1.389e-02 / CHEB/ -2.438e-02 -1.365e-02 -1.018e-03 5.517e-03 / CHEB/ -2.822e-02 -2.921e-02 -1.130e-02 4.647e-04 /

4686.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+3.1	+2.9	+2.5
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.5	+3.7	+3.5

Chebyshev(coeffs=[[8.12312,0.912056,-0.602272,-0.209708],[0.420095,0.534521,0.293375,0.0983168],[0.119752,0.271094,0.132386,0.0310945],[-0.0811028,0.160028,0.0787293,0.0184218],[-0.102942,0.00663241,0.0102449,0.00868183],[-0.0456151,-0.0384273,-0.0144156,0.000714237]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -62.10
S298 (cal/mol*K) = -34.03
G298 (kcal/mol) = -51.96

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(517); C2H4(72), C7H11(517); C5H7(210)+C2H4(72)(+M)=>C7H11(517)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.123e+00 9.121e-01 -6.023e-01 -2.097e-01 / CHEB/ 4.201e-01 5.345e-01 2.934e-01 9.832e-02 / CHEB/ 1.198e-01 2.711e-01 1.324e-01 3.109e-02 / CHEB/ -8.110e-02 1.600e-01 7.873e-02 1.842e-02 / CHEB/ -1.029e-01 6.632e-03 1.024e-02 8.682e-03 / CHEB/ -4.562e-02 -3.843e-02 -1.442e-02 7.142e-04 /

4687.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.0	-11.0	-6.2	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-24.1	-11.0	-6.2	-3.7

Chebyshev(coeffs=[[-16.6214,-0.146878,-0.0978474,-0.0503689],[18.23,0.0504548,0.0334554,0.0170717],[0.517108,0.0550016,0.0357827,0.017617],[0.168428,0.0290843,0.0189297,0.00933053],[0.0192333,-0.00566366,-0.00328009,-0.00122947],[-0.0148996,-0.0112014,-0.00697222,-0.00313357]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.10
S298 (cal/mol*K) = -20.32
G298 (kcal/mol) = 61.15

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(758); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(758)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.662e+01 -1.469e-01 -9.785e-02 -5.037e-02 / CHEB/ 1.823e+01 5.045e-02 3.346e-02 1.707e-02 / CHEB/ 5.171e-01 5.500e-02 3.578e-02 1.762e-02 / CHEB/ 1.684e-01 2.908e-02 1.893e-02 9.331e-03 / CHEB/ 1.923e-02 -5.664e-03 -3.280e-03 -1.229e-03 / CHEB/ -1.490e-02 -1.120e-02 -6.972e-03 -3.134e-03 /

4691.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.3	-13.3	-5.8	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-36.5	-13.4	-5.9	-2.2

Chebyshev(coeffs=[[-28.739,-0.232942,-0.14711,-0.068442],[32.8038,0.0965459,0.0579109,0.0240649],[-0.193616,0.0339721,0.0213986,0.00986854],[-0.0684661,0.0165967,0.00938988,0.00333368],[-0.0305603,-0.00459926,-0.00251635,-0.000818222],[-0.0128713,-0.0057273,-0.00287553,-0.000641958]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.26
S298 (cal/mol*K) = 23.03
G298 (kcal/mol) = 100.39

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C6H8(624); C2H3(100), CH2(137); C5H7(210)+C2H3(100)(+M)=>CH2(137)+C6H8(624)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.874e+01 -2.329e-01 -1.471e-01 -6.844e-02 / CHEB/ 3.280e+01 9.655e-02 5.791e-02 2.406e-02 / CHEB/ -1.936e-01 3.397e-02 2.140e-02 9.869e-03 / CHEB/ -6.847e-02 1.660e-02 9.390e-03 3.334e-03 / CHEB/ -3.056e-02 -4.599e-03 -2.516e-03 -8.182e-04 / CHEB/ -1.287e-02 -5.727e-03 -2.876e-03 -6.420e-04 /

4692.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+3.3	+5.3	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+2.4	+4.8	+5.7

Chebyshev(coeffs=[[2.9045,-2.36733,-0.401408,0.0107545],[8.73437,1.5218,-0.0307205,-0.0810021],[0.464987,0.411365,0.122625,-0.0205311],[-0.179257,-0.016958,0.0760521,0.0126256],[-0.134063,-0.0525402,0.0105478,0.0126396],[-0.0360053,0.00773899,-0.00797327,0.00223948]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.98
S298 (cal/mol*K) = -36.49
G298 (kcal/mol) = -55.11

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(367); C2H3(100), C7H10(367); C5H7(210)+C2H3(100)(+M)=>C7H10(367)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.904e+00 -2.367e+00 -4.014e-01 1.075e-02 / CHEB/ 8.734e+00 1.522e+00 -3.072e-02 -8.100e-02 / CHEB/ 4.650e-01 4.114e-01 1.226e-01 -2.053e-02 / CHEB/ -1.793e-01 -1.696e-02 7.605e-02 1.263e-02 / CHEB/ -1.341e-01 -5.254e-02 1.055e-02 1.264e-02 / CHEB/ -3.601e-02 7.739e-03 -7.973e-03 2.239e-03 /

4693.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-1.2	+1.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-1.9	+1.3	+2.6

Chebyshev(coeffs=[[-3.86021,-2.0817,-0.435311,0.00563657],[12.4244,1.47413,0.0536768,-0.0938771],[0.326013,0.329474,0.144443,-0.00885466],[-0.161694,-0.0518855,0.0595172,0.0239061],[-0.109629,-0.0495631,-0.00365627,0.0126675],[-0.0237428,0.0143696,-0.00918539,-0.00203381]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.57
S298 (cal/mol*K) = -34.30
G298 (kcal/mol) = -8.34

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(759); C2H3(100), C7H10(759); C5H7(210)+C2H3(100)(+M)=>C7H10(759)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.860e+00 -2.082e+00 -4.353e-01 5.637e-03 / CHEB/ 1.242e+01 1.474e+00 5.368e-02 -9.388e-02 / CHEB/ 3.260e-01 3.295e-01 1.444e-01 -8.855e-03 / CHEB/ -1.617e-01 -5.189e-02 5.952e-02 2.391e-02 / CHEB/ -1.096e-01 -4.956e-02 -3.656e-03 1.267e-02 / CHEB/ -2.374e-02 1.437e-02 -9.185e-03 -2.034e-03 /

4694.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-6.1	-2.9	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-17.3	-6.5	-3.2	-1.6

Chebyshev(coeffs=[[-9.58326,-1.24422,-0.218835,0.0133735],[14.0366,0.823239,-0.0164832,-0.0474268],[0.107621,0.225421,0.0792379,-0.0207539],[-0.107607,-0.0106994,0.0437438,0.00898726],[-0.0697736,-0.0231375,0.00495688,0.010927],[-0.00280724,0.0069315,-0.00511564,0.00112406]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.74
S298 (cal/mol*K) = -38.25
G298 (kcal/mol) = 4.66

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(206); C2H3(100), C7H10(206); C5H7(210)+C2H3(100)(+M)=>C7H10(206)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.583e+00 -1.244e+00 -2.188e-01 1.337e-02 / CHEB/ 1.404e+01 8.232e-01 -1.648e-02 -4.743e-02 / CHEB/ 1.076e-01 2.254e-01 7.924e-02 -2.075e-02 / CHEB/ -1.076e-01 -1.070e-02 4.374e-02 8.987e-03 / CHEB/ -6.977e-02 -2.314e-02 4.957e-03 1.093e-02 / CHEB/ -2.807e-03 6.931e-03 -5.116e-03 1.124e-03 /

4695.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-3.4	-1.2	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-4.1	-1.6	-0.5

Chebyshev(coeffs=[[-3.56427,-1.5122,-0.175611,0.000858415],[8.86728,0.825893,-0.0856924,-0.00736049],[0.435144,0.310694,0.0367321,-0.0281831],[-0.101157,0.0383533,0.0540756,-0.0123483],[-0.0927521,-0.0117267,0.0245497,0.00663384],[-0.0231301,0.00673188,0.000177596,0.00646013]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.34
S298 (cal/mol*K) = -41.69
G298 (kcal/mol) = 3.08

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(207); C2H3(100), C7H10(207); C5H7(210)+C2H3(100)(+M)=>C7H10(207)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.564e+00 -1.512e+00 -1.756e-01 8.584e-04 / CHEB/ 8.867e+00 8.259e-01 -8.569e-02 -7.360e-03 / CHEB/ 4.351e-01 3.107e-01 3.673e-02 -2.818e-02 / CHEB/ -1.012e-01 3.835e-02 5.408e-02 -1.235e-02 / CHEB/ -9.275e-02 -1.173e-02 2.455e-02 6.634e-03 / CHEB/ -2.313e-02 6.732e-03 1.776e-04 6.460e-03 /

4696.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-4.7	-2.2	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-5.4	-2.6	-1.4

Chebyshev(coeffs=[[-6.18279,-1.42381,-0.190924,0.00645547],[10.8019,0.823029,-0.0693967,-0.0205957],[0.289122,0.280506,0.0538423,-0.0298023],[-0.107035,0.0210029,0.0531255,-0.00469643],[-0.102854,-0.0149736,0.017684,0.00976657],[-0.0276502,0.00759782,-0.00228148,0.00480136]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.74
S298 (cal/mol*K) = -38.25
G298 (kcal/mol) = 4.66

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(208); C2H3(100), C7H10(208); C5H7(210)+C2H3(100)(+M)=>C7H10(208)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.183e+00 -1.424e+00 -1.909e-01 6.455e-03 / CHEB/ 1.080e+01 8.230e-01 -6.940e-02 -2.060e-02 / CHEB/ 2.891e-01 2.805e-01 5.384e-02 -2.980e-02 / CHEB/ -1.070e-01 2.100e-02 5.313e-02 -4.696e-03 / CHEB/ -1.029e-01 -1.497e-02 1.768e-02 9.767e-03 / CHEB/ -2.765e-02 7.598e-03 -2.281e-03 4.801e-03 /

4697.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-5.6	-3.1	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-6.2	-3.4	-2.2

Chebyshev(coeffs=[[-7.11486,-1.41513,-0.190192,0.00613342],[10.89,0.833441,-0.0669892,-0.0213764],[0.288929,0.282467,0.0560304,-0.0298136],[-0.10436,0.0192449,0.0537982,-0.00405693],[-0.0830502,-0.0172642,0.0173744,0.0102174],[-0.0189765,0.00626479,-0.00273745,0.00490037]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.34
S298 (cal/mol*K) = -41.69
G298 (kcal/mol) = 3.08

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(209); C2H3(100), C7H10(209); C5H7(210)+C2H3(100)(+M)=>C7H10(209)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.115e+00 -1.415e+00 -1.902e-01 6.133e-03 / CHEB/ 1.089e+01 8.334e-01 -6.699e-02 -2.138e-02 / CHEB/ 2.889e-01 2.825e-01 5.603e-02 -2.981e-02 / CHEB/ -1.044e-01 1.924e-02 5.380e-02 -4.057e-03 / CHEB/ -8.305e-02 -1.726e-02 1.737e-02 1.022e-02 / CHEB/ -1.898e-02 6.265e-03 -2.737e-03 4.900e-03 /

4698.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-6.1	-3.7	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-6.7	-4.1	-3.0

Chebyshev(coeffs=[[-6.79366,-1.47204,-0.182006,0.00307997],[9.73217,0.826757,-0.0791737,-0.0127259],[0.349447,0.298281,0.0448506,-0.0296208],[-0.106227,0.0303344,0.0542713,-0.00898566],[-0.0910867,-0.0138304,0.0215243,0.00837765],[-0.023037,0.00659822,-0.00111907,0.00587636]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.54
S298 (cal/mol*K) = -39.91
G298 (kcal/mol) = 21.43

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(210); C2H3(100), C7H10(210); C5H7(210)+C2H3(100)(+M)=>C7H10(210)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.794e+00 -1.472e+00 -1.820e-01 3.080e-03 / CHEB/ 9.732e+00 8.268e-01 -7.917e-02 -1.273e-02 / CHEB/ 3.494e-01 2.983e-01 4.485e-02 -2.962e-02 / CHEB/ -1.062e-01 3.033e-02 5.427e-02 -8.986e-03 / CHEB/ -9.109e-02 -1.383e-02 2.152e-02 8.378e-03 / CHEB/ -2.304e-02 6.598e-03 -1.119e-03 5.876e-03 /

4699.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-6.1	-3.7	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-6.7	-4.1	-3.0

H298 (kcal/mol) = 9.13
S298 (cal/mol*K) = -36.50
G298 (kcal/mol) = 20.01

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(211); C2H3(100), C7H10(211); C5H7(210)+C2H3(100)(+M)=>C7H10(211)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.794e+00 -1.472e+00 -1.820e-01 3.080e-03 / CHEB/ 9.732e+00 8.268e-01 -7.917e-02 -1.273e-02 / CHEB/ 3.494e-01 2.983e-01 4.485e-02 -2.962e-02 / CHEB/ -1.062e-01 3.033e-02 5.427e-02 -8.986e-03 / CHEB/ -9.109e-02 -1.383e-02 2.152e-02 8.378e-03 / CHEB/ -2.304e-02 6.598e-03 -1.119e-03 5.876e-03 /

4700.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-6.0	-2.5	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-6.3	-2.7	-1.1

Chebyshev(coeffs=[[-11.1299,-1.06364,-0.247342,0.0106555],[16.465,0.764634,0.0468197,-0.060562],[-0.162306,0.163293,0.0842179,-0.00395709],[-0.154305,-0.0311206,0.0262305,0.0150496],[-0.0717941,-0.0218185,-0.00410125,0.00690829],[-0.0129153,0.0102321,-0.00390953,-0.00171354]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.95
S298 (cal/mol*K) = -2.19
G298 (kcal/mol) = 51.60

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C6H8(81); C2H3(100), CH2(137); C5H7(210)+C2H3(100)(+M)=>CH2(137)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.113e+01 -1.064e+00 -2.473e-01 1.066e-02 / CHEB/ 1.646e+01 7.646e-01 4.682e-02 -6.056e-02 / CHEB/ -1.623e-01 1.633e-01 8.422e-02 -3.957e-03 / CHEB/ -1.543e-01 -3.112e-02 2.623e-02 1.505e-02 / CHEB/ -7.179e-02 -2.182e-02 -4.101e-03 6.908e-03 / CHEB/ -1.292e-02 1.023e-02 -3.910e-03 -1.714e-03 /

4701.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+0.9	+1.7	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+0.0	+1.1	+1.5

Chebyshev(coeffs=[[4.67565,-1.79563,-0.140243,0.0072329],[2.83359,0.672826,-0.112463,0.00121136],[0.441502,0.328287,-0.0153876,-0.005924],[-0.136361,0.0956751,0.0213303,-0.0157652],[-0.105873,0.0186945,0.027064,-0.00935962],[-0.026452,0.0129302,0.0117431,-0.000448404]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.35
S298 (cal/mol*K) = -43.11
G298 (kcal/mol) = -47.51

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(212); C2H3(100), C7H10(212); C5H7(210)+C2H3(100)(+M)=>C7H10(212)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.676e+00 -1.796e+00 -1.402e-01 7.233e-03 / CHEB/ 2.834e+00 6.728e-01 -1.125e-01 1.211e-03 / CHEB/ 4.415e-01 3.283e-01 -1.539e-02 -5.924e-03 / CHEB/ -1.364e-01 9.568e-02 2.133e-02 -1.577e-02 / CHEB/ -1.059e-01 1.869e-02 2.706e-02 -9.360e-03 / CHEB/ -2.645e-02 1.293e-02 1.174e-02 -4.484e-04 /

4702.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+0.9	+1.7	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+0.0	+1.1	+1.5

H298 (kcal/mol) = -57.66
S298 (cal/mol*K) = -42.27
G298 (kcal/mol) = -45.07

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(213); C2H3(100), C7H10(213); C5H7(210)+C2H3(100)(+M)=>C7H10(213)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.676e+00 -1.796e+00 -1.402e-01 7.233e-03 / CHEB/ 2.834e+00 6.728e-01 -1.125e-01 1.211e-03 / CHEB/ 4.415e-01 3.283e-01 -1.539e-02 -5.924e-03 / CHEB/ -1.364e-01 9.568e-02 2.133e-02 -1.577e-02 / CHEB/ -1.059e-01 1.869e-02 2.706e-02 -9.360e-03 / CHEB/ -2.645e-02 1.293e-02 1.174e-02 -4.484e-04 /

4703.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.3	-14.3	-7.3	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-35.4	-14.3	-7.3	-3.9

Chebyshev(coeffs=[[-27.6981,-0.274085,-0.153364,-0.0542049],[29.8793,0.216742,0.112306,0.0311753],[-0.024346,0.00318763,0.00573324,0.00548308],[-0.0174407,-0.0143888,-0.00912846,-0.00421066],[-0.00554149,0.00192351,0.000841237,4.31862e-05],[-0.000929052,0.00486596,0.00351642,0.00199801]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.18
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = 87.37

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C4H6(214); C2H3(100), C3H4(73); C5H7(210)+C2H3(100)(+M)=>C4H6(214)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.770e+01 -2.741e-01 -1.534e-01 -5.420e-02 / CHEB/ 2.988e+01 2.167e-01 1.123e-01 3.118e-02 / CHEB/ -2.435e-02 3.188e-03 5.733e-03 5.483e-03 / CHEB/ -1.744e-02 -1.439e-02 -9.128e-03 -4.211e-03 / CHEB/ -5.541e-03 1.924e-03 8.412e-04 4.319e-05 / CHEB/ -9.291e-04 4.866e-03 3.516e-03 1.998e-03 /

4704.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.6	-14.7	-7.8	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-14.8	-7.8	-4.4

Chebyshev(coeffs=[[-28.0698,-0.278843,-0.155358,-0.0543227],[29.7597,0.221254,0.113901,0.0309388],[-0.0262585,0.00335268,0.00604483,0.00575808],[-0.0200233,-0.0148772,-0.00933349,-0.00420851],[-0.00725183,0.00192437,0.000797233,-1.27358e-05],[-0.000701032,0.00501836,0.00358697,0.00200501]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.60
S298 (cal/mol*K) = -0.29
G298 (kcal/mol) = 87.68

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C6H8(215); C2H3(100), CH2(T)(82); C5H7(210)+C2H3(100)(+M)=>C6H8(215)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.807e+01 -2.788e-01 -1.554e-01 -5.432e-02 / CHEB/ 2.976e+01 2.213e-01 1.139e-01 3.094e-02 / CHEB/ -2.626e-02 3.353e-03 6.045e-03 5.758e-03 / CHEB/ -2.002e-02 -1.488e-02 -9.333e-03 -4.209e-03 / CHEB/ -7.252e-03 1.924e-03 7.972e-04 -1.274e-05 / CHEB/ -7.010e-04 5.018e-03 3.587e-03 2.005e-03 /

4705.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-3.3	-1.1	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-4.0	-1.5	-0.4

Chebyshev(coeffs=[[-4.05575,-1.47812,-0.184198,0.00413766],[9.68387,0.809251,-0.0808942,-0.0127183],[0.260879,0.293546,0.0426158,-0.0294626],[-0.121828,0.031859,0.0527552,-0.00926284],[-0.0959684,-0.0114788,0.0214223,0.00779149],[-0.0250465,0.00804797,-0.000682083,0.00560559]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.05
S298 (cal/mol*K) = -30.55
G298 (kcal/mol) = 3.05

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(216); C2H3(100), C7H10(216); C5H7(210)+C2H3(100)(+M)=>C7H10(216)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.056e+00 -1.478e+00 -1.842e-01 4.138e-03 / CHEB/ 9.684e+00 8.093e-01 -8.089e-02 -1.272e-02 / CHEB/ 2.609e-01 2.935e-01 4.262e-02 -2.946e-02 / CHEB/ -1.218e-01 3.186e-02 5.276e-02 -9.263e-03 / CHEB/ -9.597e-02 -1.148e-02 2.142e-02 7.791e-03 / CHEB/ -2.505e-02 8.048e-03 -6.821e-04 5.606e-03 /

4708.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+3.2	+3.5	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+2.0	+2.7	+2.4

Chebyshev(coeffs=[[5.73526,-2.9047,-0.303177,0.0286497],[3.66237,1.53604,-0.0911083,-0.0338885],[0.16709,0.487426,0.0803649,-0.00934692],[-0.441965,0.0163292,0.0594668,0.00188326],[-0.263962,-0.0573199,0.0160083,0.00309023],[-0.078821,-0.0097666,-0.00844311,-6.49199e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.21
S298 (cal/mol*K) = -10.22
G298 (kcal/mol) = -4.16

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C5H7(217); C2H3(100), C2H3(100); C5H7(210)+C2H3(100)(+M)=>C5H7(217)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.735e+00 -2.905e+00 -3.032e-01 2.865e-02 / CHEB/ 3.662e+00 1.536e+00 -9.111e-02 -3.389e-02 / CHEB/ 1.671e-01 4.874e-01 8.036e-02 -9.347e-03 / CHEB/ -4.420e-01 1.633e-02 5.947e-02 1.883e-03 / CHEB/ -2.640e-01 -5.732e-02 1.601e-02 3.090e-03 / CHEB/ -7.882e-02 -9.767e-03 -8.443e-03 -6.492e-05 /

4709.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.0	+3.6	+3.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+2.3	+3.0	+2.8

Chebyshev(coeffs=[[6.44781,-3.03119,-0.281416,0.0298513],[3.25641,1.48334,-0.11367,-0.0281884],[0.22708,0.51874,0.0652953,-0.010681],[-0.388487,0.0365989,0.060536,0.00132318],[-0.254336,-0.0558137,0.020337,0.00370789],[-0.0789134,-0.0154945,-0.0065545,0.00040823]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.40
S298 (cal/mol*K) = -19.93
G298 (kcal/mol) = -12.46

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(218); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.448e+00 -3.031e+00 -2.814e-01 2.985e-02 / CHEB/ 3.256e+00 1.483e+00 -1.137e-01 -2.819e-02 / CHEB/ 2.271e-01 5.187e-01 6.530e-02 -1.068e-02 / CHEB/ -3.885e-01 3.660e-02 6.054e-02 1.323e-03 / CHEB/ -2.543e-01 -5.581e-02 2.034e-02 3.708e-03 / CHEB/ -7.891e-02 -1.549e-02 -6.554e-03 4.082e-04 /

4710.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-0.6	+0.2	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-1.7	-0.5	-0.4

Chebyshev(coeffs=[[0.745109,-2.70873,-0.342396,0.0264893],[5.58028,1.53133,-0.0384812,-0.0415074],[0.248174,0.451869,0.0895568,-0.00577865],[-0.403544,-0.00106324,0.0562676,0.00148285],[-0.245883,-0.0568384,0.0111586,0.00272556],[-0.0706359,-0.00319641,-0.00999584,-0.000232706]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.19
S298 (cal/mol*K) = -16.97
G298 (kcal/mol) = 11.24

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(219); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(219)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.451e-01 -2.709e+00 -3.424e-01 2.649e-02 / CHEB/ 5.580e+00 1.531e+00 -3.848e-02 -4.151e-02 / CHEB/ 2.482e-01 4.519e-01 8.956e-02 -5.779e-03 / CHEB/ -4.035e-01 -1.063e-03 5.627e-02 1.483e-03 / CHEB/ -2.459e-01 -5.684e-02 1.116e-02 2.726e-03 / CHEB/ -7.064e-02 -3.196e-03 -9.996e-03 -2.327e-04 /

4711.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+0.5	+1.0	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-0.8	+0.2	+0.2

Chebyshev(coeffs=[[2.79136,-2.93371,-0.298059,0.0289252],[4.12485,1.52711,-0.0971354,-0.0325751],[0.306173,0.494256,0.0773874,-0.00973075],[-0.396847,0.020079,0.0598822,0.00180384],[-0.250536,-0.0571771,0.0169031,0.003221],[-0.0744045,-0.0109953,-0.00809903,1.42185e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.42
S298 (cal/mol*K) = -23.57
G298 (kcal/mol) = -1.40

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(220); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(220)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.791e+00 -2.934e+00 -2.981e-01 2.893e-02 / CHEB/ 4.125e+00 1.527e+00 -9.714e-02 -3.258e-02 / CHEB/ 3.062e-01 4.943e-01 7.739e-02 -9.731e-03 / CHEB/ -3.968e-01 2.008e-02 5.988e-02 1.804e-03 / CHEB/ -2.505e-01 -5.718e-02 1.690e-02 3.221e-03 / CHEB/ -7.440e-02 -1.100e-02 -8.099e-03 1.422e-05 /

4712.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-4.5	-2.9	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-5.3	-3.4	-3.0

Chebyshev(coeffs=[[-5.19563,-2.25518,-0.40779,0.00249079],[8.94675,1.34959,0.0664907,-0.0273357],[0.0214879,0.400827,0.0953154,-0.00819984],[-0.359593,-0.020177,0.047033,0.00181663],[-0.218134,-0.0534514,0.00243294,0.00428714],[-0.0592723,0.00575118,-0.0106569,-0.000835034]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.19
S298 (cal/mol*K) = -19.67
G298 (kcal/mol) = 29.05

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(221); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(221)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.196e+00 -2.255e+00 -4.078e-01 2.491e-03 / CHEB/ 8.947e+00 1.350e+00 6.649e-02 -2.734e-02 / CHEB/ 2.149e-02 4.008e-01 9.532e-02 -8.200e-03 / CHEB/ -3.596e-01 -2.018e-02 4.703e-02 1.817e-03 / CHEB/ -2.181e-01 -5.345e-02 2.433e-03 4.287e-03 / CHEB/ -5.927e-02 5.751e-03 -1.066e-02 -8.350e-04 /

4713.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-4.5	-2.9	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-5.3	-3.4	-3.0

H298 (kcal/mol) = 23.19
S298 (cal/mol*K) = -19.67
G298 (kcal/mol) = 29.05

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(222); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(222)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.196e+00 -2.255e+00 -4.078e-01 2.491e-03 / CHEB/ 8.947e+00 1.350e+00 6.649e-02 -2.734e-02 / CHEB/ 2.149e-02 4.008e-01 9.532e-02 -8.200e-03 / CHEB/ -3.596e-01 -2.018e-02 4.703e-02 1.817e-03 / CHEB/ -2.181e-01 -5.345e-02 2.433e-03 4.287e-03 / CHEB/ -5.927e-02 5.751e-03 -1.066e-02 -8.350e-04 /

4714.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-3.6	-2.2	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-4.5	-2.8	-2.5

Chebyshev(coeffs=[[-3.68822,-2.39415,-0.394658,0.0119782],[7.9448,1.41165,0.0420041,-0.0348888],[0.105956,0.418538,0.0921579,-0.00625425],[-0.367528,-0.0160229,0.0504141,0.00125421],[-0.227319,-0.0548855,0.00518642,0.00366343],[-0.062848,0.00365837,-0.0108641,-0.000505602]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.49
S298 (cal/mol*K) = -19.67
G298 (kcal/mol) = 24.35

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(223); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(223)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.688e+00 -2.394e+00 -3.947e-01 1.198e-02 / CHEB/ 7.945e+00 1.412e+00 4.200e-02 -3.489e-02 / CHEB/ 1.060e-01 4.185e-01 9.216e-02 -6.254e-03 / CHEB/ -3.675e-01 -1.602e-02 5.041e-02 1.254e-03 / CHEB/ -2.273e-01 -5.489e-02 5.186e-03 3.663e-03 / CHEB/ -6.285e-02 3.658e-03 -1.086e-02 -5.056e-04 /

4715.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-3.0	-1.5	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-3.9	-2.0	-1.6

Chebyshev(coeffs=[[-3.38081,-2.33435,-0.40108,0.00793622],[8.46643,1.38509,0.0533674,-0.0316689],[0.0903121,0.411304,0.0933657,-0.00710417],[-0.357735,-0.0178925,0.0490009,0.00145415],[-0.2215,-0.0543158,0.00401473,0.00393922],[-0.0606625,0.00460661,-0.0108126,-0.000633361]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.69
S298 (cal/mol*K) = -20.09
G298 (kcal/mol) = 26.67

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(224); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(224)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.381e+00 -2.334e+00 -4.011e-01 7.936e-03 / CHEB/ 8.466e+00 1.385e+00 5.337e-02 -3.167e-02 / CHEB/ 9.031e-02 4.113e-01 9.337e-02 -7.104e-03 / CHEB/ -3.577e-01 -1.789e-02 4.900e-02 1.454e-03 / CHEB/ -2.215e-01 -5.432e-02 4.015e-03 3.939e-03 / CHEB/ -6.066e-02 4.607e-03 -1.081e-02 -6.334e-04 /

4716.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+3.1	+3.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+1.7	+2.1	+1.7

Chebyshev(coeffs=[[6.61298,-3.17631,-0.264308,0.0317809],[2.29647,1.35986,-0.129331,-0.0222645],[0.0225599,0.526954,0.0448627,-0.0110927],[-0.411612,0.0648042,0.0567929,0.000263636],[-0.257709,-0.0474145,0.0247253,0.00437809],[-0.0809569,-0.0219376,-0.00324461,0.0016004]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.77
S298 (cal/mol*K) = -41.34
G298 (kcal/mol) = -30.45

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(225); C2H3(100), C7H10(225); C5H7(210)+C2H3(100)(+M)=>C7H10(225)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.613e+00 -3.176e+00 -2.643e-01 3.178e-02 / CHEB/ 2.296e+00 1.360e+00 -1.293e-01 -2.226e-02 / CHEB/ 2.256e-02 5.270e-01 4.486e-02 -1.109e-02 / CHEB/ -4.116e-01 6.480e-02 5.679e-02 2.636e-04 / CHEB/ -2.577e-01 -4.741e-02 2.473e-02 4.378e-03 / CHEB/ -8.096e-02 -2.194e-02 -3.245e-03 1.600e-03 /

4717.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+2.8	+2.7	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+1.4	+1.7	+1.3

Chebyshev(coeffs=[[6.29042,-3.1668,-0.264542,0.0316064],[2.21856,1.37231,-0.128369,-0.0226125],[-0.0216677,0.531267,0.0460127,-0.0111464],[-0.415647,0.0648012,0.057293,0.000296768],[-0.236257,-0.048382,0.024732,0.00433944],[-0.0723901,-0.0222296,-0.003415,0.00150272]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.04
S298 (cal/mol*K) = -44.68
G298 (kcal/mol) = -29.72

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(226); C2H3(100), C7H10(226); C5H7(210)+C2H3(100)(+M)=>C7H10(226)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.290e+00 -3.167e+00 -2.645e-01 3.161e-02 / CHEB/ 2.219e+00 1.372e+00 -1.284e-01 -2.261e-02 / CHEB/ -2.167e-02 5.313e-01 4.601e-02 -1.115e-02 / CHEB/ -4.156e-01 6.480e-02 5.729e-02 2.968e-04 / CHEB/ -2.363e-01 -4.838e-02 2.473e-02 4.339e-03 / CHEB/ -7.239e-02 -2.223e-02 -3.415e-03 1.503e-03 /

4718.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+1.4	+1.9	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+0.2	+1.1	+0.9

Chebyshev(coeffs=[[3.99931,-2.96237,-0.291414,0.0290194],[3.7399,1.52423,-0.102906,-0.0312757],[0.236484,0.507545,0.0740859,-0.0102492],[-0.398389,0.0254636,0.0606594,0.00163676],[-0.228086,-0.058188,0.0181867,0.00335724],[-0.0676436,-0.0130627,-0.00770312,7.82736e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.28
S298 (cal/mol*K) = -37.56
G298 (kcal/mol) = -16.09

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(227); C2H3(100), C7H10(227); C5H7(210)+C2H3(100)(+M)=>C7H10(227)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.999e+00 -2.962e+00 -2.914e-01 2.902e-02 / CHEB/ 3.740e+00 1.524e+00 -1.029e-01 -3.128e-02 / CHEB/ 2.365e-01 5.075e-01 7.409e-02 -1.025e-02 / CHEB/ -3.984e-01 2.546e-02 6.066e-02 1.637e-03 / CHEB/ -2.281e-01 -5.819e-02 1.819e-02 3.357e-03 / CHEB/ -6.764e-02 -1.306e-02 -7.703e-03 7.827e-05 /

4719.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-4.5	-3.4	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-5.5	-4.1	-3.8

Chebyshev(coeffs=[[-3.76347,-2.57034,-0.366611,0.0220193],[6.62841,1.50056,-0.000116264,-0.0422743],[0.169029,0.440471,0.0913793,-0.0048031],[-0.384395,-0.00915208,0.0543833,0.00106394],[-0.20387,-0.0578168,0.00859632,0.00298097],[-0.0520614,-0.000561676,-0.0106731,-0.00026319]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.28
S298 (cal/mol*K) = -40.26
G298 (kcal/mol) = 1.72

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(228); C2H3(100), C7H10(228); C5H7(210)+C2H3(100)(+M)=>C7H10(228)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.763e+00 -2.570e+00 -3.666e-01 2.202e-02 / CHEB/ 6.628e+00 1.501e+00 -1.163e-04 -4.227e-02 / CHEB/ 1.690e-01 4.405e-01 9.138e-02 -4.803e-03 / CHEB/ -3.844e-01 -9.152e-03 5.438e-02 1.064e-03 / CHEB/ -2.039e-01 -5.782e-02 8.596e-03 2.981e-03 / CHEB/ -5.206e-02 -5.617e-04 -1.067e-02 -2.632e-04 /

4720.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-3.1	-2.2	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-4.1	-2.9	-2.8

Chebyshev(coeffs=[[-1.80562,-2.67195,-0.349852,0.025669],[5.76132,1.52115,-0.0276538,-0.0421509],[0.213808,0.447588,0.089814,-0.0052595],[-0.405435,-0.00346314,0.055735,0.00133427],[-0.246231,-0.0566441,0.0104103,0.00275915],[-0.0704553,-0.00221424,-0.0101915,-0.000237905]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.58
S298 (cal/mol*K) = -36.85
G298 (kcal/mol) = -5.60

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(229); C2H3(100), C7H10(229); C5H7(210)+C2H3(100)(+M)=>C7H10(229)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.806e+00 -2.672e+00 -3.499e-01 2.567e-02 / CHEB/ 5.761e+00 1.521e+00 -2.765e-02 -4.215e-02 / CHEB/ 2.138e-01 4.476e-01 8.981e-02 -5.260e-03 / CHEB/ -4.054e-01 -3.463e-03 5.573e-02 1.334e-03 / CHEB/ -2.462e-01 -5.664e-02 1.041e-02 2.759e-03 / CHEB/ -7.046e-02 -2.214e-03 -1.019e-02 -2.379e-04 /

4721.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+1.8	+2.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+0.5	+1.5	+1.3

Chebyshev(coeffs=[[4.24197,-2.95484,-0.294488,0.0291374],[3.8891,1.51893,-0.101184,-0.0316215],[0.277984,0.499176,0.0749976,-0.00997345],[-0.401119,0.023102,0.06011,0.00172631],[-0.253024,-0.056997,0.0175871,0.00332286],[-0.0755578,-0.0119329,-0.00782095,8.61044e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.08
S298 (cal/mol*K) = -34.68
G298 (kcal/mol) = -14.74

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(230); C2H3(100), C7H10(230); C5H7(210)+C2H3(100)(+M)=>C7H10(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.242e+00 -2.955e+00 -2.945e-01 2.914e-02 / CHEB/ 3.889e+00 1.519e+00 -1.012e-01 -3.162e-02 / CHEB/ 2.780e-01 4.992e-01 7.500e-02 -9.973e-03 / CHEB/ -4.011e-01 2.310e-02 6.011e-02 1.726e-03 / CHEB/ -2.530e-01 -5.700e-02 1.759e-02 3.323e-03 / CHEB/ -7.556e-02 -1.193e-02 -7.821e-03 8.610e-05 /

4722.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+1.7	+1.7	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-3.3	+0.3	+0.8	+0.3

Chebyshev(coeffs=[[5.03765,-3.11346,-0.271685,0.0309883],[2.47124,1.41691,-0.123545,-0.0247618],[0.0600958,0.525488,0.0537348,-0.0109725],[-0.419685,0.0522495,0.0588309,0.000776122],[-0.262328,-0.0518345,0.0229283,0.00412169],[-0.0816918,-0.0194558,-0.00483079,0.00104146]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.93
S298 (cal/mol*K) = -36.54
G298 (kcal/mol) = -19.04

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(231); C2H3(100), C7H10(231); C5H7(210)+C2H3(100)(+M)=>C7H10(231)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.038e+00 -3.113e+00 -2.717e-01 3.099e-02 / CHEB/ 2.471e+00 1.417e+00 -1.235e-01 -2.476e-02 / CHEB/ 6.010e-02 5.255e-01 5.373e-02 -1.097e-02 / CHEB/ -4.197e-01 5.225e-02 5.883e-02 7.761e-04 / CHEB/ -2.623e-01 -5.183e-02 2.293e-02 4.122e-03 / CHEB/ -8.169e-02 -1.946e-02 -4.831e-03 1.041e-03 /

4723.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-2.6	-1.9	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-3.7	-2.7	-2.8

Chebyshev(coeffs=[[-0.4372,-2.8754,-0.308592,0.0283875],[4.43262,1.54232,-0.0844651,-0.0352118],[0.29524,0.480668,0.0829613,-0.00889921],[-0.406698,0.0129791,0.0589673,0.0019267],[-0.250833,-0.0573754,0.0151609,0.00297267],[-0.0739233,-0.00859952,-0.00875219,-0.000124088]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.93
S298 (cal/mol*K) = -39.24
G298 (kcal/mol) = -1.24

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(232); C2H3(100), C7H10(232); C5H7(210)+C2H3(100)(+M)=>C7H10(232)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.372e-01 -2.875e+00 -3.086e-01 2.839e-02 / CHEB/ 4.433e+00 1.542e+00 -8.447e-02 -3.521e-02 / CHEB/ 2.952e-01 4.807e-01 8.296e-02 -8.899e-03 / CHEB/ -4.067e-01 1.298e-02 5.897e-02 1.927e-03 / CHEB/ -2.508e-01 -5.738e-02 1.516e-02 2.973e-03 / CHEB/ -7.392e-02 -8.600e-03 -8.752e-03 -1.241e-04 /

4724.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	-2.2	-1.6	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-3.4	-2.4	-2.5

Chebyshev(coeffs=[[0.111692,-2.89779,-0.304431,0.0285867],[4.18895,1.53777,-0.089593,-0.0342011],[0.273891,0.485812,0.0810156,-0.00924674],[-0.411263,0.0155021,0.0593548,0.00189695],[-0.253444,-0.0573396,0.0158034,0.0030611],[-0.0750476,-0.00948508,-0.00851911,-8.06524e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -37.31
G298 (kcal/mol) = -3.41

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(233); C2H3(100), C7H10(233); C5H7(210)+C2H3(100)(+M)=>C7H10(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.117e-01 -2.898e+00 -3.044e-01 2.859e-02 / CHEB/ 4.189e+00 1.538e+00 -8.959e-02 -3.420e-02 / CHEB/ 2.739e-01 4.858e-01 8.102e-02 -9.247e-03 / CHEB/ -4.113e-01 1.550e-02 5.935e-02 1.897e-03 / CHEB/ -2.534e-01 -5.734e-02 1.580e-02 3.061e-03 / CHEB/ -7.505e-02 -9.485e-03 -8.519e-03 -8.065e-05 /

4725.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+1.4	+1.4	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+0.1	+0.5	-0.0

Chebyshev(coeffs=[[4.74558,-3.07564,-0.276532,0.0305175],[2.41963,1.44714,-0.11934,-0.0263333],[0.0388915,0.52176,0.0590821,-0.0108427],[-0.437943,0.0446138,0.0596564,0.00104994],[-0.268667,-0.0538287,0.021707,0.00394045],[-0.0832232,-0.0177127,-0.00569012,0.000748346]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.18
S298 (cal/mol*K) = -33.76
G298 (kcal/mol) = -19.12

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(234); C2H3(100), C7H10(234); C5H7(210)+C2H3(100)(+M)=>C7H10(234)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.746e+00 -3.076e+00 -2.765e-01 3.052e-02 / CHEB/ 2.420e+00 1.447e+00 -1.193e-01 -2.633e-02 / CHEB/ 3.889e-02 5.218e-01 5.908e-02 -1.084e-02 / CHEB/ -4.379e-01 4.461e-02 5.966e-02 1.050e-03 / CHEB/ -2.687e-01 -5.383e-02 2.171e-02 3.940e-03 / CHEB/ -8.322e-02 -1.771e-02 -5.690e-03 7.483e-04 /

4726.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+0.8	+0.7	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-3.8	-0.7	-0.4	-0.9

Chebyshev(coeffs=[[4.38869,-3.19575,-0.261105,0.0319576],[2.05901,1.34436,-0.130475,-0.0214732],[-0.0267654,0.530599,0.0421228,-0.0111533],[-0.416952,0.0708534,0.0561963,5.04281e-05],[-0.257413,-0.0453164,0.0254139,0.00442934],[-0.0796975,-0.0227613,-0.00263346,0.00176251]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.57
S298 (cal/mol*K) = -50.05
G298 (kcal/mol) = -38.65

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(235); C2H3(100), C7H10(235); C5H7(210)+C2H3(100)(+M)=>C7H10(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.389e+00 -3.196e+00 -2.611e-01 3.196e-02 / CHEB/ 2.059e+00 1.344e+00 -1.305e-01 -2.147e-02 / CHEB/ -2.677e-02 5.306e-01 4.212e-02 -1.115e-02 / CHEB/ -4.170e-01 7.085e-02 5.620e-02 5.043e-05 / CHEB/ -2.574e-01 -4.532e-02 2.541e-02 4.429e-03 / CHEB/ -7.970e-02 -2.276e-02 -2.633e-03 1.763e-03 /

4727.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-2.1	-1.5	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-8.1	-3.3	-2.3	-2.4

Chebyshev(coeffs=[[0.444257,-2.92874,-0.297699,0.0287079],[3.86795,1.53502,-0.0969809,-0.0327436],[0.374655,0.49448,0.0783419,-0.00976486],[-0.353309,0.0181477,0.0602005,0.00185262],[-0.286222,-0.0575308,0.0165774,0.00321205],[-0.0606119,-0.0107701,-0.00810229,-4.28193e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.28
S298 (cal/mol*K) = -40.26
G298 (kcal/mol) = 1.72

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(236); C2H3(100), C7H10(236); C5H7(210)+C2H3(100)(+M)=>C7H10(236)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.443e-01 -2.929e+00 -2.977e-01 2.871e-02 / CHEB/ 3.868e+00 1.535e+00 -9.698e-02 -3.274e-02 / CHEB/ 3.747e-01 4.945e-01 7.834e-02 -9.765e-03 / CHEB/ -3.533e-01 1.815e-02 6.020e-02 1.853e-03 / CHEB/ -2.862e-01 -5.753e-02 1.658e-02 3.212e-03 / CHEB/ -6.061e-02 -1.077e-02 -8.102e-03 -4.282e-05 /

4728.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.8	-1.3	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-3.0	-2.0	-2.2

Chebyshev(coeffs=[[0.567759,-2.91003,-0.302217,0.028699],[4.05621,1.5346,-0.0922576,-0.0336469],[0.261206,0.488679,0.0798462,-0.00942199],[-0.413616,0.0169856,0.0595504,0.00187122],[-0.254853,-0.0573007,0.0161687,0.0031133],[-0.0756629,-0.00998748,-0.00838286,-5.19655e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.38
S298 (cal/mol*K) = -37.27
G298 (kcal/mol) = -3.27

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(237); C2H3(100), C7H10(237); C5H7(210)+C2H3(100)(+M)=>C7H10(237)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.678e-01 -2.910e+00 -3.022e-01 2.870e-02 / CHEB/ 4.056e+00 1.535e+00 -9.226e-02 -3.365e-02 / CHEB/ 2.612e-01 4.887e-01 7.985e-02 -9.422e-03 / CHEB/ -4.136e-01 1.699e-02 5.955e-02 1.871e-03 / CHEB/ -2.549e-01 -5.730e-02 1.617e-02 3.113e-03 / CHEB/ -7.566e-02 -9.987e-03 -8.383e-03 -5.197e-05 /

4729.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+0.7	+0.7	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-4.1	-0.7	-0.3	-0.8

Chebyshev(coeffs=[[4.19368,-3.16337,-0.265763,0.0316178],[2.25461,1.37225,-0.128249,-0.0227664],[0.0145222,0.527164,0.0466777,-0.0110757],[-0.417757,0.0622804,0.0572755,0.000375125],[-0.260277,-0.0484289,0.0243836,0.00433119],[-0.0817142,-0.0214824,-0.00358441,0.00147929]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.58
S298 (cal/mol*K) = -44.86
G298 (kcal/mol) = -31.21

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(238); C2H3(100), C7H10(238); C5H7(210)+C2H3(100)(+M)=>C7H10(238)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.194e+00 -3.163e+00 -2.658e-01 3.162e-02 / CHEB/ 2.255e+00 1.372e+00 -1.282e-01 -2.277e-02 / CHEB/ 1.452e-02 5.272e-01 4.668e-02 -1.108e-02 / CHEB/ -4.178e-01 6.228e-02 5.728e-02 3.751e-04 / CHEB/ -2.603e-01 -4.843e-02 2.438e-02 4.331e-03 / CHEB/ -8.171e-02 -2.148e-02 -3.584e-03 1.479e-03 /

4730.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	-1.1	-0.7	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-2.3	-1.5	-1.7

Chebyshev(coeffs=[[1.51275,-2.96739,-0.29243,0.029268],[3.65016,1.51342,-0.103456,-0.0310577],[0.23814,0.502034,0.0735026,-0.0101035],[-0.410104,0.0250156,0.0602088,0.00167329],[-0.256596,-0.0568527,0.0180042,0.00338531],[-0.0769956,-0.0125074,-0.00764359,0.000134798]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.93
S298 (cal/mol*K) = -39.24
G298 (kcal/mol) = -1.24

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(239); C2H3(100), C7H10(239); C5H7(210)+C2H3(100)(+M)=>C7H10(239)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.513e+00 -2.967e+00 -2.924e-01 2.927e-02 / CHEB/ 3.650e+00 1.513e+00 -1.035e-01 -3.106e-02 / CHEB/ 2.381e-01 5.020e-01 7.350e-02 -1.010e-02 / CHEB/ -4.101e-01 2.502e-02 6.021e-02 1.673e-03 / CHEB/ -2.566e-01 -5.685e-02 1.800e-02 3.385e-03 / CHEB/ -7.700e-02 -1.251e-02 -7.644e-03 1.348e-04 /

4731.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-0.9	+0.2	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-1.9	-0.5	-0.3

Chebyshev(coeffs=[[0.377087,-2.68415,-0.343882,0.0255815],[5.88368,1.54463,-0.0336527,-0.0421223],[0.325551,0.449318,0.0920059,-0.00558764],[-0.377636,-0.00409588,0.0561618,0.00148407],[-0.24291,-0.0569823,0.010432,0.00265998],[-0.0674713,-0.00225434,-0.0100772,-0.000297118]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.84
S298 (cal/mol*K) = -30.47
G298 (kcal/mol) = 12.92

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(240); C2H3(100), C7H10(240); C5H7(210)+C2H3(100)(+M)=>C7H10(240)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.771e-01 -2.684e+00 -3.439e-01 2.558e-02 / CHEB/ 5.884e+00 1.545e+00 -3.365e-02 -4.212e-02 / CHEB/ 3.256e-01 4.493e-01 9.201e-02 -5.588e-03 / CHEB/ -3.776e-01 -4.096e-03 5.616e-02 1.484e-03 / CHEB/ -2.429e-01 -5.698e-02 1.043e-02 2.660e-03 / CHEB/ -6.747e-02 -2.254e-03 -1.008e-02 -2.971e-04 /

4732.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+2.7	+3.0	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+1.4	+2.2	+1.9

Chebyshev(coeffs=[[5.59686,-3.03444,-0.280467,0.0298502],[3.22822,1.48322,-0.114024,-0.028043],[0.214754,0.521664,0.0648573,-0.0107511],[-0.398254,0.0386498,0.0605966,0.00125914],[-0.257307,-0.0552764,0.0205131,0.00369853],[-0.0755646,-0.0159967,-0.00647575,0.000417217]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.10
S298 (cal/mol*K) = -32.77
G298 (kcal/mol) = -12.33

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(241); C2H3(100), C7H10(241); C5H7(210)+C2H3(100)(+M)=>C7H10(241)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.597e+00 -3.034e+00 -2.805e-01 2.985e-02 / CHEB/ 3.228e+00 1.483e+00 -1.140e-01 -2.804e-02 / CHEB/ 2.148e-01 5.217e-01 6.486e-02 -1.075e-02 / CHEB/ -3.983e-01 3.865e-02 6.060e-02 1.259e-03 / CHEB/ -2.573e-01 -5.528e-02 2.051e-02 3.699e-03 / CHEB/ -7.556e-02 -1.600e-02 -6.476e-03 4.172e-04 /

4733.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+3.3	+4.2	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+2.2	+3.5	+3.6

Chebyshev(coeffs=[[4.7946,-2.73986,-0.336049,0.0270612],[5.49523,1.53791,-0.0474989,-0.0407393],[0.29066,0.456271,0.0889738,-0.00627359],[-0.396784,0.000976421,0.0568136,0.0015918],[-0.244194,-0.0569292,0.0117909,0.00272705],[-0.0702115,-0.00409656,-0.00980292,-0.000228513]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.59
S298 (cal/mol*K) = -23.68
G298 (kcal/mol) = -8.54

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(242); C2H3(100), C7H10(242); C5H7(210)+C2H3(100)(+M)=>C7H10(242)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.795e+00 -2.740e+00 -3.360e-01 2.706e-02 / CHEB/ 5.495e+00 1.538e+00 -4.750e-02 -4.074e-02 / CHEB/ 2.907e-01 4.563e-01 8.897e-02 -6.274e-03 / CHEB/ -3.968e-01 9.764e-04 5.681e-02 1.592e-03 / CHEB/ -2.442e-01 -5.693e-02 1.179e-02 2.727e-03 / CHEB/ -7.021e-02 -4.097e-03 -9.803e-03 -2.285e-04 /

4734.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+3.3	+4.3	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+2.2	+3.6	+3.6

Chebyshev(coeffs=[[4.75486,-2.73258,-0.337608,0.0269752],[5.57102,1.53619,-0.0452566,-0.0409911],[0.293034,0.455488,0.0889877,-0.00611693],[-0.394449,0.000360256,0.0567625,0.00154905],[-0.243518,-0.0568578,0.0116178,0.00272997],[-0.0698393,-0.00389455,-0.00984457,-0.00022951]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.17
S298 (cal/mol*K) = -23.30
G298 (kcal/mol) = -8.23

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(243); C2H3(100), C7H10(243); C5H7(210)+C2H3(100)(+M)=>C7H10(243)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.755e+00 -2.733e+00 -3.376e-01 2.698e-02 / CHEB/ 5.571e+00 1.536e+00 -4.526e-02 -4.099e-02 / CHEB/ 2.930e-01 4.555e-01 8.899e-02 -6.117e-03 / CHEB/ -3.944e-01 3.603e-04 5.676e-02 1.549e-03 / CHEB/ -2.435e-01 -5.686e-02 1.162e-02 2.730e-03 / CHEB/ -6.984e-02 -3.895e-03 -9.845e-03 -2.295e-04 /

4735.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+3.7	+4.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+2.6	+3.8	+3.8

Chebyshev(coeffs=[[5.39107,-2.79906,-0.3237,0.0277171],[5.12923,1.54611,-0.0647054,-0.0385298],[0.321646,0.465177,0.087537,-0.00748483],[-0.396791,0.00576926,0.0576199,0.00184014],[-0.244858,-0.0572542,0.0131838,0.00276662],[-0.0711428,-0.0058898,-0.00941141,-0.000205814]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.69
S298 (cal/mol*K) = -25.60
G298 (kcal/mol) = -11.07

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(244); C2H3(100), C7H10(244); C5H7(210)+C2H3(100)(+M)=>C7H10(244)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.391e+00 -2.799e+00 -3.237e-01 2.772e-02 / CHEB/ 5.129e+00 1.546e+00 -6.471e-02 -3.853e-02 / CHEB/ 3.216e-01 4.652e-01 8.754e-02 -7.485e-03 / CHEB/ -3.968e-01 5.769e-03 5.762e-02 1.840e-03 / CHEB/ -2.449e-01 -5.725e-02 1.318e-02 2.767e-03 / CHEB/ -7.114e-02 -5.890e-03 -9.411e-03 -2.058e-04 /

4736.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	-1.0	-0.4	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-2.2	-1.1	-1.2

Chebyshev(coeffs=[[1.20961,-2.88847,-0.306147,0.0285029],[4.31863,1.53986,-0.0874971,-0.0346228],[0.289327,0.48365,0.081857,-0.00910616],[-0.407565,0.0144227,0.0591973,0.00191209],[-0.251753,-0.057359,0.0155316,0.0030231],[-0.074363,-0.00911132,-0.00861854,-0.000100108]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.00
S298 (cal/mol*K) = -44.03
G298 (kcal/mol) = 0.12

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(245); C2H3(100), C7H10(245); C5H7(210)+C2H3(100)(+M)=>C7H10(245)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.210e+00 -2.888e+00 -3.061e-01 2.850e-02 / CHEB/ 4.319e+00 1.540e+00 -8.750e-02 -3.462e-02 / CHEB/ 2.893e-01 4.837e-01 8.186e-02 -9.106e-03 / CHEB/ -4.076e-01 1.442e-02 5.920e-02 1.912e-03 / CHEB/ -2.518e-01 -5.736e-02 1.553e-02 3.023e-03 / CHEB/ -7.436e-02 -9.111e-03 -8.619e-03 -1.001e-04 /

4737.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-5.6	-4.9	-5.2
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-6.6	-5.5	-5.6

Chebyshev(coeffs=[[-4.43923,-2.57575,-0.368179,0.022392],[5.79735,1.48665,-0.000229839,-0.0419046],[0.0210819,0.438676,0.0898016,-0.00468564],[-0.437034,-0.00914434,0.0543327,0.00109762],[-0.256268,-0.0560683,0.00857684,0.00294353],[-0.0732659,0.000128058,-0.0106048,-0.000267187]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.70
S298 (cal/mol*K) = -49.76
G298 (kcal/mol) = -9.87

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(246); C2H3(100), C7H10(246); C5H7(210)+C2H3(100)(+M)=>C7H10(246)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.439e+00 -2.576e+00 -3.682e-01 2.239e-02 / CHEB/ 5.797e+00 1.487e+00 -2.298e-04 -4.190e-02 / CHEB/ 2.108e-02 4.387e-01 8.980e-02 -4.686e-03 / CHEB/ -4.370e-01 -9.144e-03 5.433e-02 1.098e-03 / CHEB/ -2.563e-01 -5.607e-02 8.577e-03 2.944e-03 / CHEB/ -7.327e-02 1.281e-04 -1.060e-02 -2.672e-04 /

4750.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-4.3	-2.1	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-4.7	-2.2	-1.0

Chebyshev(coeffs=[[-2.20691,-1.42242,-0.065968,0.0181208],[6.08074,1.07759,-0.182593,-0.0750137],[1.06637,0.30444,0.0928953,-0.00989468],[0.111824,-0.0323812,0.0659387,0.00872109],[0.00501445,-0.0622982,0.0191942,0.0150803],[-0.00687684,-0.0233117,-0.00614787,0.00818819]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.65
S298 (cal/mol*K) = -34.90
G298 (kcal/mol) = 6.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(576); C5H6(62), C7H10(576); C2H4(115)+C5H6(62)(+M)=>C7H10(576)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.207e+00 -1.422e+00 -6.597e-02 1.812e-02 / CHEB/ 6.081e+00 1.078e+00 -1.826e-01 -7.501e-02 / CHEB/ 1.066e+00 3.044e-01 9.290e-02 -9.895e-03 / CHEB/ 1.118e-01 -3.238e-02 6.594e-02 8.721e-03 / CHEB/ 5.014e-03 -6.230e-02 1.919e-02 1.508e-02 / CHEB/ -6.877e-03 -2.331e-02 -6.148e-03 8.188e-03 /

4751.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-3.2	-0.4	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-3.6	-0.6	+1.0

Chebyshev(coeffs=[[-1.52592,-1.41296,-0.068631,0.0167189],[6.86461,1.09218,-0.183813,-0.0779891],[1.49325,0.29908,0.0997531,-0.00972911],[0.225844,-0.0479435,0.0681704,0.010574],[-0.00983177,-0.0731483,0.0146325,0.0167698],[-0.0366306,-0.0240403,-0.0115562,0.0081175]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.31
S298 (cal/mol*K) = -30.50
G298 (kcal/mol) = 4.78

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(577); C5H6(62), C7H10(577); C2H4(115)+C5H6(62)(+M)=>C7H10(577)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.526e+00 -1.413e+00 -6.863e-02 1.672e-02 / CHEB/ 6.865e+00 1.092e+00 -1.838e-01 -7.799e-02 / CHEB/ 1.493e+00 2.991e-01 9.975e-02 -9.729e-03 / CHEB/ 2.258e-01 -4.794e-02 6.817e-02 1.057e-02 / CHEB/ -9.832e-03 -7.315e-02 1.463e-02 1.677e-02 / CHEB/ -3.663e-02 -2.404e-02 -1.156e-02 8.117e-03 /

4752.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-0.9	+1.8	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-1.3	+1.7	+3.4

Chebyshev(coeffs=[[0.242729,-1.81632,-0.219614,0.0340705],[7.77197,1.49829,-0.0118252,-0.0827249],[1.12399,0.418046,0.138338,-0.0207108],[0.16006,-0.0742127,0.0503544,0.0177362],[0.0727755,-0.110151,-0.00761661,0.0177342],[0.0360846,-0.044663,-0.0163059,0.00553066]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.82
S298 (cal/mol*K) = -11.85
G298 (kcal/mol) = 10.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(499); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(499)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.427e-01 -1.816e+00 -2.196e-01 3.407e-02 / CHEB/ 7.772e+00 1.498e+00 -1.183e-02 -8.272e-02 / CHEB/ 1.124e+00 4.180e-01 1.383e-01 -2.071e-02 / CHEB/ 1.601e-01 -7.421e-02 5.035e-02 1.774e-02 / CHEB/ 7.278e-02 -1.102e-01 -7.617e-03 1.773e-02 / CHEB/ 3.608e-02 -4.466e-02 -1.631e-02 5.531e-03 /

4753.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.4	+1.3	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-1.9	+1.2	+2.9

Chebyshev(coeffs=[[-0.534349,-1.77916,-0.248068,0.0295972],[8.07641,1.47474,0.0151084,-0.0827627],[1.05845,0.392271,0.146506,-0.0132156],[0.176788,-0.070212,0.0474206,0.017975],[0.0738849,-0.10128,-0.0107641,0.0148321],[0.030868,-0.0416139,-0.0162997,0.00453465]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.02
S298 (cal/mol*K) = -11.74
G298 (kcal/mol) = 13.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(502); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(502)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.343e-01 -1.779e+00 -2.481e-01 2.960e-02 / CHEB/ 8.076e+00 1.475e+00 1.511e-02 -8.276e-02 / CHEB/ 1.058e+00 3.923e-01 1.465e-01 -1.322e-02 / CHEB/ 1.768e-01 -7.021e-02 4.742e-02 1.797e-02 / CHEB/ 7.388e-02 -1.013e-01 -1.076e-02 1.483e-02 / CHEB/ 3.087e-02 -4.161e-02 -1.630e-02 4.535e-03 /

4754.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	-0.1	+1.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-4.5	-0.8	+1.4	+2.9

Chebyshev(coeffs=[[3.62976,-1.95519,-0.198998,0.0399232],[3.84647,1.31636,-0.0806527,-0.077877],[0.87784,0.605467,0.149218,-0.023684],[0.267486,0.123446,0.0870972,0.00963721],[0.148036,-0.056313,0.00654083,0.00703672],[0.0851769,-0.10394,-0.0256187,0.00282708]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.26
S298 (cal/mol*K) = -34.76
G298 (kcal/mol) = -16.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(486); C5H6(62), C7H10(486); C2H4(115)+C5H6(62)(+M)=>C7H10(486)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.630e+00 -1.955e+00 -1.990e-01 3.992e-02 / CHEB/ 3.846e+00 1.316e+00 -8.065e-02 -7.788e-02 / CHEB/ 8.778e-01 6.055e-01 1.492e-01 -2.368e-02 / CHEB/ 2.675e-01 1.234e-01 8.710e-02 9.637e-03 / CHEB/ 1.480e-01 -5.631e-02 6.541e-03 7.037e-03 / CHEB/ 8.518e-02 -1.039e-01 -2.562e-02 2.827e-03 /

4755.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-2.3	-0.9	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-3.1	-1.1	+0.4

Chebyshev(coeffs=[[0.873868,-2.03268,-0.198162,0.0379513],[4.34733,1.31119,-0.0963172,-0.0718082],[0.765556,0.642405,0.160028,-0.0194305],[0.0961617,0.14595,0.10706,0.0158118],[0.110384,-0.0361048,0.0165005,0.00977402],[0.161967,-0.0675403,-0.029192,-0.00368347]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.95
S298 (cal/mol*K) = -39.20
G298 (kcal/mol) = -19.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(487); C5H6(62), C7H10(487); C2H4(115)+C5H6(62)(+M)=>C7H10(487)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.739e-01 -2.033e+00 -1.982e-01 3.795e-02 / CHEB/ 4.347e+00 1.311e+00 -9.632e-02 -7.181e-02 / CHEB/ 7.656e-01 6.424e-01 1.600e-01 -1.943e-02 / CHEB/ 9.616e-02 1.460e-01 1.071e-01 1.581e-02 / CHEB/ 1.104e-01 -3.610e-02 1.650e-02 9.774e-03 / CHEB/ 1.620e-01 -6.754e-02 -2.919e-02 -3.683e-03 /

4756.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	-0.3	+0.7	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-4.6	-1.2	+0.2	+1.1

Chebyshev(coeffs=[[3.2802,-2.05308,-0.226588,0.0342286],[3.24408,1.17617,-0.149802,-0.082423],[0.479987,0.525738,0.11959,-0.0237984],[0.0270832,0.11741,0.0976631,0.0179746],[0.0311847,0.00586745,0.036138,0.0140682],[0.0510826,-0.00370703,0.0037594,0.000136354]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.95
S298 (cal/mol*K) = -39.20
G298 (kcal/mol) = -19.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(491); C5H6(62), C7H10(491); C2H4(115)+C5H6(62)(+M)=>C7H10(491)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.280e+00 -2.053e+00 -2.266e-01 3.423e-02 / CHEB/ 3.244e+00 1.176e+00 -1.498e-01 -8.242e-02 / CHEB/ 4.800e-01 5.257e-01 1.196e-01 -2.380e-02 / CHEB/ 2.708e-02 1.174e-01 9.766e-02 1.797e-02 / CHEB/ 3.118e-02 5.867e-03 3.614e-02 1.407e-02 / CHEB/ 5.108e-02 -3.707e-03 3.759e-03 1.364e-04 /

4757.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.4	-6.1	-0.4	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-21.9	-6.2	-0.5	+2.5

Chebyshev(coeffs=[[-13.7226,-0.544796,-0.264285,-0.0663357],[21.2043,0.444108,0.183275,0.018405],[0.846207,0.0998184,0.0628239,0.0255255],[0.150532,-0.0350408,-0.00392986,0.010426],[-0.00312477,-0.0057781,-0.00374598,5.77762e-05],[-0.0227795,0.00277561,-0.000650807,-0.00165563]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.89
S298 (cal/mol*K) = 9.51
G298 (kcal/mol) = 58.06

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H6(490); C2H4(115), C3H4(73); C2H4(115)+C5H6(62)(+M)=>C3H4(73)+C4H6(490)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.372e+01 -5.448e-01 -2.643e-01 -6.634e-02 / CHEB/ 2.120e+01 4.441e-01 1.833e-01 1.840e-02 / CHEB/ 8.462e-01 9.982e-02 6.282e-02 2.553e-02 / CHEB/ 1.505e-01 -3.504e-02 -3.930e-03 1.043e-02 / CHEB/ -3.125e-03 -5.778e-03 -3.746e-03 5.778e-05 / CHEB/ -2.278e-02 2.776e-03 -6.508e-04 -1.656e-03 /

4758.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-3.5	-0.9	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-3.9	-1.0	+0.4

Chebyshev(coeffs=[[-2.21482,-1.35209,-0.0906382,0.00791336],[7.34523,1.07305,-0.148229,-0.0650479],[1.16758,0.269682,0.106672,-0.00808838],[0.145058,-0.0532454,0.0624613,0.0121509],[0.0118533,-0.06088,0.0118966,0.0171416],[-0.0133957,-0.0149582,-0.00944388,0.00672379]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.73
S298 (cal/mol*K) = -36.86
G298 (kcal/mol) = -0.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(578); C5H6(62), C7H10(578); C2H4(115)+C5H6(62)(+M)=>C7H10(578)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.215e+00 -1.352e+00 -9.064e-02 7.913e-03 / CHEB/ 7.345e+00 1.073e+00 -1.482e-01 -6.505e-02 / CHEB/ 1.168e+00 2.697e-01 1.067e-01 -8.088e-03 / CHEB/ 1.451e-01 -5.325e-02 6.246e-02 1.215e-02 / CHEB/ 1.185e-02 -6.088e-02 1.190e-02 1.714e-02 / CHEB/ -1.340e-02 -1.496e-02 -9.444e-03 6.724e-03 /

4759.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	-1.2	+0.6	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-1.7	+0.4	+1.4

Chebyshev(coeffs=[[1.73325,-1.49851,-0.0416957,0.030883],[4.71497,1.06629,-0.211145,-0.0842708],[0.906853,0.344886,0.0718269,-0.0151873],[0.0906633,-0.00144391,0.0664368,0.00676323],[-0.00178756,-0.0571499,0.0265578,0.0123311],[-0.000590889,-0.0324118,-0.00107909,0.00826877]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.92
S298 (cal/mol*K) = -46.89
G298 (kcal/mol) = -29.95

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(579); C5H6(62), C7H10(579); C2H4(115)+C5H6(62)(+M)=>C7H10(579)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.733e+00 -1.499e+00 -4.170e-02 3.088e-02 / CHEB/ 4.715e+00 1.066e+00 -2.111e-01 -8.427e-02 / CHEB/ 9.069e-01 3.449e-01 7.183e-02 -1.519e-02 / CHEB/ 9.066e-02 -1.444e-03 6.644e-02 6.763e-03 / CHEB/ -1.788e-03 -5.715e-02 2.656e-02 1.233e-02 / CHEB/ -5.909e-04 -3.241e-02 -1.079e-03 8.269e-03 /

4760.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+1.9	+2.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+1.0	+2.1	+2.5

Chebyshev(coeffs=[[5.23359,-1.90839,-0.106297,0.0673616],[3.21814,1.02059,-0.219525,-0.092617],[0.315175,0.539297,0.0941498,-0.0371984],[-0.180584,0.157703,0.0946098,0.00464407],[-0.106678,0.00929133,0.0343536,0.0118918],[0.0144177,-0.0287247,-0.0100819,0.00182772]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -73.18
S298 (cal/mol*K) = -39.90
G298 (kcal/mol) = -61.29

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(481); C5H6(62), C7H10(481); C2H4(115)+C5H6(62)(+M)=>C7H10(481)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.234e+00 -1.908e+00 -1.063e-01 6.736e-02 / CHEB/ 3.218e+00 1.021e+00 -2.195e-01 -9.262e-02 / CHEB/ 3.152e-01 5.393e-01 9.415e-02 -3.720e-02 / CHEB/ -1.806e-01 1.577e-01 9.461e-02 4.644e-03 / CHEB/ -1.067e-01 9.291e-03 3.435e-02 1.189e-02 / CHEB/ 1.442e-02 -2.872e-02 -1.008e-02 1.828e-03 /

4761.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+2.0	+2.5	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+2.2	+3.0	+3.1

Chebyshev(coeffs=[[5.99878,0.0321576,-0.133715,0.0270762],[2.26431,1.0805,-0.152958,-0.0613712],[0.262861,0.395394,0.0244431,-0.0223157],[-0.157147,0.0995968,0.0383855,-0.00339001],[-0.169008,0.0179057,0.0284662,0.0050972],[-0.0813797,-0.0165245,0.00865829,0.00447451]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -99.64
S298 (cal/mol*K) = -52.04
G298 (kcal/mol) = -84.14

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(496); C5H6(62), C7H10(496); C2H4(115)+C5H6(62)(+M)=>C7H10(496)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.999e+00 3.216e-02 -1.337e-01 2.708e-02 / CHEB/ 2.264e+00 1.080e+00 -1.530e-01 -6.137e-02 / CHEB/ 2.629e-01 3.954e-01 2.444e-02 -2.232e-02 / CHEB/ -1.571e-01 9.960e-02 3.839e-02 -3.390e-03 / CHEB/ -1.690e-01 1.791e-02 2.847e-02 5.097e-03 / CHEB/ -8.138e-02 -1.652e-02 8.658e-03 4.475e-03 /

4762.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.2	-11.1	-4.6	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-30.4	-11.2	-4.6	-1.3

Chebyshev(coeffs=[[-22.4925,-0.372641,-0.211256,-0.0777304],[26.8184,0.286627,0.149913,0.0432184],[0.351676,0.0802902,0.0491888,0.0212702],[0.0330618,-0.0244756,-0.00714393,0.00359636],[-0.0244485,-0.00102842,-0.00116587,-0.000627398],[-0.0221693,0.00246305,0.000482471,-0.000618932]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.17
S298 (cal/mol*K) = 6.17
G298 (kcal/mol) = 72.33

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H6(62); C2H4(115), C2H4(495); C2H4(115)+C5H6(62)(+M)=>C5H6(62)+C2H4(495)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.249e+01 -3.726e-01 -2.113e-01 -7.773e-02 / CHEB/ 2.682e+01 2.866e-01 1.499e-01 4.322e-02 / CHEB/ 3.517e-01 8.029e-02 4.919e-02 2.127e-02 / CHEB/ 3.306e-02 -2.448e-02 -7.144e-03 3.596e-03 / CHEB/ -2.445e-02 -1.028e-03 -1.166e-03 -6.274e-04 / CHEB/ -2.217e-02 2.463e-03 4.825e-04 -6.189e-04 /

4763.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.0	-11.4	-4.6	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-31.3	-11.5	-4.6	-1.1

Chebyshev(coeffs=[[-23.1516,-0.367971,-0.208838,-0.0770509],[27.4341,0.288732,0.151494,0.0441465],[0.533755,0.0779458,0.0483013,0.0213645],[0.0799383,-0.0254955,-0.00785391,0.00324556],[-0.0103248,-0.00120801,-0.00141113,-0.000857109],[-0.01691,0.00242896,0.000434427,-0.000677487]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.77
S298 (cal/mol*K) = 2.92
G298 (kcal/mol) = 73.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(485); C2H4(115), CH2(T)(82); C2H4(115)+C5H6(62)(+M)=>CH2(T)(82)+C6H8(485)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.315e+01 -3.680e-01 -2.088e-01 -7.705e-02 / CHEB/ 2.743e+01 2.887e-01 1.515e-01 4.415e-02 / CHEB/ 5.338e-01 7.795e-02 4.830e-02 2.136e-02 / CHEB/ 7.994e-02 -2.550e-02 -7.854e-03 3.246e-03 / CHEB/ -1.032e-02 -1.208e-03 -1.411e-03 -8.571e-04 / CHEB/ -1.691e-02 2.429e-03 4.344e-04 -6.775e-04 /

4764.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-2.2	+0.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-2.6	+0.8	+2.7

Chebyshev(coeffs=[[-1.99548,-1.74605,-0.250237,0.0311816],[9.26429,1.52792,0.0426915,-0.0853136],[1.15553,0.342024,0.135374,-0.0137805],[0.213353,-0.116436,0.0368131,0.0228832],[0.0771852,-0.108347,-0.0124515,0.0183253],[0.01473,-0.0257308,-0.0139112,0.00314334]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.85
S298 (cal/mol*K) = -13.60
G298 (kcal/mol) = 17.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(500); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(500)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.995e+00 -1.746e+00 -2.502e-01 3.118e-02 / CHEB/ 9.264e+00 1.528e+00 4.269e-02 -8.531e-02 / CHEB/ 1.156e+00 3.420e-01 1.354e-01 -1.378e-02 / CHEB/ 2.134e-01 -1.164e-01 3.681e-02 2.288e-02 / CHEB/ 7.719e-02 -1.083e-01 -1.245e-02 1.833e-02 / CHEB/ 1.473e-02 -2.573e-02 -1.391e-02 3.143e-03 /

4765.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-1.4	-0.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-2.2	-0.4	+0.9

Chebyshev(coeffs=[[1.08131,-2.0148,-0.226937,0.0317223],[5.0114,1.33044,-0.0934298,-0.0765629],[0.668982,0.586667,0.168517,-0.0128425],[-0.0447227,0.0959639,0.104434,0.0201781],[0.0472007,-0.0305045,0.0194485,0.0111581],[0.142666,-0.0217766,-0.013478,-0.002314]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.06
S298 (cal/mol*K) = -31.09
G298 (kcal/mol) = -5.80

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(362); C5H6(62), C7H10(362); C2H4(115)+C5H6(62)(+M)=>C7H10(362)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.081e+00 -2.015e+00 -2.269e-01 3.172e-02 / CHEB/ 5.011e+00 1.330e+00 -9.343e-02 -7.656e-02 / CHEB/ 6.690e-01 5.867e-01 1.685e-01 -1.284e-02 / CHEB/ -4.472e-02 9.596e-02 1.044e-01 2.018e-02 / CHEB/ 4.720e-02 -3.050e-02 1.945e-02 1.116e-02 / CHEB/ 1.427e-01 -2.178e-02 -1.348e-02 -2.314e-03 /

4766.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-4.0	-0.7	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-4.3	-0.8	+1.1

Chebyshev(coeffs=[[-5.02121,-1.12309,-0.190065,-0.00527237],[10.9084,0.932654,-0.00920457,-0.0570922],[1.01932,0.187183,0.111284,0.00102702],[0.172072,-0.0673289,0.0398,0.0212431],[-0.000276134,-0.035961,-0.00289284,0.0142128],[-0.0281565,0.00116242,-0.00937369,0.0011865]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.06
S298 (cal/mol*K) = -31.09
G298 (kcal/mol) = -5.80

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(363); C5H6(62), C7H10(363); C2H4(115)+C5H6(62)(+M)=>C7H10(363)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.021e+00 -1.123e+00 -1.901e-01 -5.272e-03 / CHEB/ 1.091e+01 9.327e-01 -9.205e-03 -5.709e-02 / CHEB/ 1.019e+00 1.872e-01 1.113e-01 1.027e-03 / CHEB/ 1.721e-01 -6.733e-02 3.980e-02 2.124e-02 / CHEB/ -2.761e-04 -3.596e-02 -2.893e-03 1.421e-02 / CHEB/ -2.816e-02 1.162e-03 -9.374e-03 1.186e-03 /

4767.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-1.6	+0.1	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-2.3	-0.1	+1.2

Chebyshev(coeffs=[[0.00375667,-1.97252,-0.248943,0.0260151],[6.34238,1.38726,-0.0665417,-0.0802863],[0.763295,0.541795,0.178122,-0.00794376],[-0.0582431,0.0434625,0.0930531,0.02234],[0.0258565,-0.0534556,0.00860465,0.0117474],[0.0943961,-0.0264532,-0.0155674,-0.00111688]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.06
S298 (cal/mol*K) = -31.09
G298 (kcal/mol) = -5.80

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(361); C5H6(62), C7H10(361); C2H4(115)+C5H6(62)(+M)=>C7H10(361)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.757e-03 -1.973e+00 -2.489e-01 2.602e-02 / CHEB/ 6.342e+00 1.387e+00 -6.654e-02 -8.029e-02 / CHEB/ 7.633e-01 5.418e-01 1.781e-01 -7.944e-03 / CHEB/ -5.824e-02 4.346e-02 9.305e-02 2.234e-02 / CHEB/ 2.586e-02 -5.346e-02 8.605e-03 1.175e-02 / CHEB/ 9.440e-02 -2.645e-02 -1.557e-02 -1.117e-03 /

4768.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-3.7	-0.4	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-4.0	-0.5	+1.2

Chebyshev(coeffs=[[-4.33959,-1.15984,-0.175743,-0.00429528],[10.3834,0.959224,-0.0306504,-0.0566303],[1.03817,0.197828,0.111951,-0.00177636],[0.16953,-0.0675543,0.0438012,0.0203943],[0.00131987,-0.0399757,-0.00130183,0.0151967],[-0.0265919,-0.000284888,-0.00989522,0.0019165]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.06
S298 (cal/mol*K) = -31.09
G298 (kcal/mol) = -5.80

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(364); C5H6(62), C7H10(364); C2H4(115)+C5H6(62)(+M)=>C7H10(364)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.340e+00 -1.160e+00 -1.757e-01 -4.295e-03 / CHEB/ 1.038e+01 9.592e-01 -3.065e-02 -5.663e-02 / CHEB/ 1.038e+00 1.978e-01 1.120e-01 -1.776e-03 / CHEB/ 1.695e-01 -6.755e-02 4.380e-02 2.039e-02 / CHEB/ 1.320e-03 -3.998e-02 -1.302e-03 1.520e-02 / CHEB/ -2.659e-02 -2.849e-04 -9.895e-03 1.916e-03 /

4769.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-2.2	+0.4	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-2.6	+0.2	+1.7

Chebyshev(coeffs=[[-0.878792,-1.36007,-0.0906076,0.00835093],[7.28261,1.06624,-0.150769,-0.0652363],[1.12479,0.273836,0.103471,-0.00920885],[0.134172,-0.0491385,0.0624304,0.0113182],[0.00902637,-0.0601156,0.0131242,0.0168407],[-0.0119079,-0.0159414,-0.00870575,0.00697282]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.17
S298 (cal/mol*K) = -32.77
G298 (kcal/mol) = 10.93

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(580); C5H6(62), C7H10(580); C2H4(115)+C5H6(62)(+M)=>C7H10(580)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.788e-01 -1.360e+00 -9.061e-02 8.351e-03 / CHEB/ 7.283e+00 1.066e+00 -1.508e-01 -6.524e-02 / CHEB/ 1.125e+00 2.738e-01 1.035e-01 -9.209e-03 / CHEB/ 1.342e-01 -4.914e-02 6.243e-02 1.132e-02 / CHEB/ 9.026e-03 -6.012e-02 1.312e-02 1.684e-02 / CHEB/ -1.191e-02 -1.594e-02 -8.706e-03 6.973e-03 /

4770.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+0.7	+1.9	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-3.3	+0.1	+1.6	+2.3

Chebyshev(coeffs=[[4.50132,-1.58323,-0.0216068,0.0446034],[3.20984,1.02082,-0.231207,-0.0876621],[0.560614,0.381916,0.0431521,-0.0251405],[0.0319307,0.0436746,0.0587605,0.00316317],[-0.0124551,-0.0379271,0.0318254,0.00998376],[0.00382321,-0.0371439,0.00605754,0.00707061]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.13
S298 (cal/mol*K) = -56.35
G298 (kcal/mol) = -43.34

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(581); C5H6(62), C7H10(581); C2H4(115)+C5H6(62)(+M)=>C7H10(581)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.501e+00 -1.583e+00 -2.161e-02 4.460e-02 / CHEB/ 3.210e+00 1.021e+00 -2.312e-01 -8.766e-02 / CHEB/ 5.606e-01 3.819e-01 4.315e-02 -2.514e-02 / CHEB/ 3.193e-02 4.367e-02 5.876e-02 3.163e-03 / CHEB/ -1.246e-02 -3.793e-02 3.183e-02 9.984e-03 / CHEB/ 3.823e-03 -3.714e-02 6.058e-03 7.071e-03 /

4771.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+0.1	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-4.5	-0.5	+1.3	+2.1

Chebyshev(coeffs=[[3.48778,-1.54265,-0.0302623,0.0381588],[3.84854,1.04727,-0.223012,-0.0870782],[0.72509,0.366463,0.0571018,-0.0201498],[0.0602635,0.0210267,0.0637075,0.00531986],[-0.00475003,-0.0492436,0.0300229,0.0110701],[0.000762417,-0.0361347,0.00263067,0.00771701]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.98
S298 (cal/mol*K) = -35.11
G298 (kcal/mol) = -55.52

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(367); C5H6(62), C7H10(367); C2H4(115)+C5H6(62)(+M)=>C7H10(367)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.488e+00 -1.543e+00 -3.026e-02 3.816e-02 / CHEB/ 3.849e+00 1.047e+00 -2.230e-01 -8.708e-02 / CHEB/ 7.251e-01 3.665e-01 5.710e-02 -2.015e-02 / CHEB/ 6.026e-02 2.103e-02 6.371e-02 5.320e-03 / CHEB/ -4.750e-03 -4.924e-02 3.002e-02 1.107e-02 / CHEB/ 7.624e-04 -3.613e-02 2.631e-03 7.717e-03 /

4772.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+1.3	+2.2	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+1.5	+2.8	+3.2

Chebyshev(coeffs=[[5.06436,0.234561,-0.030613,0.0623459],[2.87016,0.962328,-0.230001,-0.0857477],[0.537335,0.440493,0.0238515,-0.0422399],[-0.0525777,0.113694,0.0455135,-0.00587278],[-0.131987,-0.00123522,0.0266974,0.00816813],[-0.0675711,-0.0340533,0.00569123,0.00727706]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.58
S298 (cal/mol*K) = -44.31
G298 (kcal/mol) = -56.38

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(511); C5H6(62), C7H10(511); C2H4(115)+C5H6(62)(+M)=>C7H10(511)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.064e+00 2.346e-01 -3.061e-02 6.235e-02 / CHEB/ 2.870e+00 9.623e-01 -2.300e-01 -8.575e-02 / CHEB/ 5.373e-01 4.405e-01 2.385e-02 -4.224e-02 / CHEB/ -5.258e-02 1.137e-01 4.551e-02 -5.873e-03 / CHEB/ -1.320e-01 -1.235e-03 2.670e-02 8.168e-03 / CHEB/ -6.757e-02 -3.405e-02 5.691e-03 7.277e-03 /

4773.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-2.1	+1.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-2.5	+0.9	+2.7

Chebyshev(coeffs=[[-1.81987,-1.73616,-0.272457,0.0250378],[9.10908,1.48664,0.0525219,-0.0825622],[1.13131,0.357727,0.148154,-0.00740571],[0.212351,-0.0963718,0.0397609,0.0213064],[0.0770705,-0.102816,-0.0140875,0.0156243],[0.014553,-0.0308167,-0.0147355,0.00339215]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.85
S298 (cal/mol*K) = -13.60
G298 (kcal/mol) = 17.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(501); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(501)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.820e+00 -1.736e+00 -2.725e-01 2.504e-02 / CHEB/ 9.109e+00 1.487e+00 5.252e-02 -8.256e-02 / CHEB/ 1.131e+00 3.577e-01 1.482e-01 -7.406e-03 / CHEB/ 2.124e-01 -9.637e-02 3.976e-02 2.131e-02 / CHEB/ 7.707e-02 -1.028e-01 -1.409e-02 1.562e-02 / CHEB/ 1.455e-02 -3.082e-02 -1.474e-02 3.392e-03 /

4774.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-4.3	-1.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-4.6	-1.2	+0.5

Chebyshev(coeffs=[[-4.95717,-1.15785,-0.176531,-0.00434423],[10.3233,0.957829,-0.0294806,-0.0566601],[1.01757,0.197231,0.111928,-0.00162893],[0.163935,-0.067563,0.043587,0.0204469],[-0.000672622,-0.0397565,-0.00139586,0.0151463],[-0.0273552,-0.000195846,-0.00987126,0.00187501]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.02
S298 (cal/mol*K) = -33.71
G298 (kcal/mol) = -4.97

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(582); C5H6(62), C7H10(582); C2H4(115)+C5H6(62)(+M)=>C7H10(582)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.957e+00 -1.158e+00 -1.765e-01 -4.344e-03 / CHEB/ 1.032e+01 9.578e-01 -2.948e-02 -5.666e-02 / CHEB/ 1.018e+00 1.972e-01 1.119e-01 -1.629e-03 / CHEB/ 1.639e-01 -6.756e-02 4.359e-02 2.045e-02 / CHEB/ -6.726e-04 -3.976e-02 -1.396e-03 1.515e-02 / CHEB/ -2.736e-02 -1.958e-04 -9.871e-03 1.875e-03 /

4775.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-2.2	+0.4	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-2.6	+0.2	+1.7

H298 (kcal/mol) = 1.46
S298 (cal/mol*K) = -31.21
G298 (kcal/mol) = 10.76

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(474); C5H6(62), C7H10(474); C2H4(115)+C5H6(62)(+M)=>C7H10(474)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.788e-01 -1.360e+00 -9.061e-02 8.351e-03 / CHEB/ 7.283e+00 1.066e+00 -1.508e-01 -6.524e-02 / CHEB/ 1.125e+00 2.738e-01 1.035e-01 -9.209e-03 / CHEB/ 1.342e-01 -4.914e-02 6.243e-02 1.132e-02 / CHEB/ 9.026e-03 -6.012e-02 1.312e-02 1.684e-02 / CHEB/ -1.191e-02 -1.594e-02 -8.706e-03 6.973e-03 /

4776.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	-0.2	+1.3	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-4.9	-0.7	+1.1	+2.0

Chebyshev(coeffs=[[3.16057,-1.53409,-0.0322357,0.0367831],[4.00444,1.05188,-0.22089,-0.0867],[0.781581,0.362885,0.0599445,-0.0191624],[0.0680399,0.0164407,0.0644653,0.00568437],[-0.0147492,-0.0513928,0.0295619,0.0113583],[0.00390139,-0.0356354,0.00188554,0.0078335]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.98
S298 (cal/mol*K) = -35.11
G298 (kcal/mol) = -55.52

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(583); C5H6(62), C7H10(583); C2H4(115)+C5H6(62)(+M)=>C7H10(583)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.161e+00 -1.534e+00 -3.224e-02 3.678e-02 / CHEB/ 4.004e+00 1.052e+00 -2.209e-01 -8.670e-02 / CHEB/ 7.816e-01 3.629e-01 5.994e-02 -1.916e-02 / CHEB/ 6.804e-02 1.644e-02 6.447e-02 5.684e-03 / CHEB/ -1.475e-02 -5.139e-02 2.956e-02 1.136e-02 / CHEB/ 3.901e-03 -3.564e-02 1.886e-03 7.834e-03 /

4777.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+0.7	+1.6	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+0.9	+2.2	+2.5

Chebyshev(coeffs=[[4.45059,0.145911,-0.0490063,0.0718644],[2.87305,0.979133,-0.216174,-0.0859749],[0.499612,0.490641,0.0403111,-0.0467574],[-0.0909669,0.145765,0.0524298,-0.00848767],[-0.140764,0.0111409,0.0236732,0.00692206],[-0.054757,-0.0323521,-0.001782,0.00636053]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.63
S298 (cal/mol*K) = -46.16
G298 (kcal/mol) = -54.88

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(510); C5H6(62), C7H10(510); C2H4(115)+C5H6(62)(+M)=>C7H10(510)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.451e+00 1.459e-01 -4.901e-02 7.186e-02 / CHEB/ 2.873e+00 9.791e-01 -2.162e-01 -8.597e-02 / CHEB/ 4.996e-01 4.906e-01 4.031e-02 -4.676e-02 / CHEB/ -9.097e-02 1.458e-01 5.243e-02 -8.488e-03 / CHEB/ -1.408e-01 1.114e-02 2.367e-02 6.922e-03 / CHEB/ -5.476e-02 -3.235e-02 -1.782e-03 6.361e-03 /

4778.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-1.1	+1.2	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-1.5	+1.1	+2.4

Chebyshev(coeffs=[[1.19563,-1.7219,-0.116313,0.0412429],[5.83975,1.41164,-0.0998938,-0.0933509],[1.2158,0.345511,0.0683739,-0.0242031],[0.152647,-0.0786243,0.05998,0.01969],[0.0226436,-0.0854011,0.0223498,0.0175014],[0.00278357,-0.0271921,-0.00534258,0.00646933]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.02
S298 (cal/mol*K) = -33.71
G298 (kcal/mol) = -4.97

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(504); C5H6(62), C7H10(504); C2H4(115)+C5H6(62)(+M)=>C7H10(504)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.196e+00 -1.722e+00 -1.163e-01 4.124e-02 / CHEB/ 5.840e+00 1.412e+00 -9.989e-02 -9.335e-02 / CHEB/ 1.216e+00 3.455e-01 6.837e-02 -2.420e-02 / CHEB/ 1.526e-01 -7.862e-02 5.998e-02 1.969e-02 / CHEB/ 2.264e-02 -8.540e-02 2.235e-02 1.750e-02 / CHEB/ 2.784e-03 -2.719e-02 -5.343e-03 6.469e-03 /

4779.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+0.9	+3.4	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+0.5	+3.2	+4.7

Chebyshev(coeffs=[[2.99318,-1.45871,-0.0623713,0.0245081],[6.23474,1.15064,-0.177378,-0.0832569],[1.24209,0.302947,0.0947121,-0.00683343],[0.170993,-0.0435042,0.0689689,0.0115024],[0.0240953,-0.0692047,0.0182797,0.0155777],[-0.00205251,-0.0241517,-0.00782173,0.00804256]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.46
S298 (cal/mol*K) = -30.34
G298 (kcal/mol) = -10.42

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(373); C5H6(62), C7H10(373); C2H4(115)+C5H6(62)(+M)=>C7H10(373)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.993e+00 -1.459e+00 -6.237e-02 2.451e-02 / CHEB/ 6.235e+00 1.151e+00 -1.774e-01 -8.326e-02 / CHEB/ 1.242e+00 3.029e-01 9.471e-02 -6.833e-03 / CHEB/ 1.710e-01 -4.350e-02 6.897e-02 1.150e-02 / CHEB/ 2.410e-02 -6.920e-02 1.828e-02 1.558e-02 / CHEB/ -2.053e-03 -2.415e-02 -7.822e-03 8.043e-03 /

4780.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-4.2	-1.9	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-4.6	-2.1	-0.8

Chebyshev(coeffs=[[-2.13478,-1.43451,-0.0668615,0.019349],[6.14531,1.07391,-0.183276,-0.0753428],[1.08536,0.315286,0.0925185,-0.0117964],[0.114155,-0.0247728,0.0655423,0.00773823],[0.00689227,-0.0629972,0.0187512,0.0152243],[-0.00362759,-0.0279036,-0.006375,0.00865395]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.65
S298 (cal/mol*K) = -34.60
G298 (kcal/mol) = 6.66

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(584); C5H6(62), C7H10(584); C2H4(115)+C5H6(62)(+M)=>C7H10(584)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.135e+00 -1.435e+00 -6.686e-02 1.935e-02 / CHEB/ 6.145e+00 1.074e+00 -1.833e-01 -7.534e-02 / CHEB/ 1.085e+00 3.153e-01 9.252e-02 -1.180e-02 / CHEB/ 1.142e-01 -2.477e-02 6.554e-02 7.738e-03 / CHEB/ 6.892e-03 -6.300e-02 1.875e-02 1.522e-02 / CHEB/ -3.628e-03 -2.790e-02 -6.375e-03 8.654e-03 /

4785.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+1.2	+1.6	+1.8
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+1.0	+1.5	+1.8

Chebyshev(coeffs=[[6.41116,-0.564893,-0.320964,-0.120473],[1.03866,0.250618,0.139583,0.049105],[0.191818,0.138635,0.0705443,0.0199081],[0.0869788,0.0921407,0.0468633,0.012781],[0.0270119,0.0124564,0.00967305,0.0053987],[-0.00213811,-0.0172556,-0.00609535,0.000611166]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.46
S298 (cal/mol*K) = -28.70
G298 (kcal/mol) = -26.91

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(309); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(309)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.411e+00 -5.649e-01 -3.210e-01 -1.205e-01 / CHEB/ 1.039e+00 2.506e-01 1.396e-01 4.910e-02 / CHEB/ 1.918e-01 1.386e-01 7.054e-02 1.991e-02 / CHEB/ 8.698e-02 9.214e-02 4.686e-02 1.278e-02 / CHEB/ 2.701e-02 1.246e-02 9.673e-03 5.399e-03 / CHEB/ -2.138e-03 -1.726e-02 -6.095e-03 6.112e-04 /

4786.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+1.5	+1.7	+1.9
log₁₀(k(10 bar)/[mole,m,s])	+0.7	+1.2	+1.6	+1.8

Chebyshev(coeffs=[[6.79923,-0.574371,-0.325712,-0.121685],[0.79887,0.246476,0.137608,0.0486716],[0.117339,0.142857,0.0725081,0.0202859],[0.0721448,0.0969409,0.0488848,0.0129595],[0.026574,0.0147655,0.0106206,0.00544448],[-0.000662349,-0.017064,-0.00594162,0.000683126]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -41.95
S298 (cal/mol*K) = -34.73
G298 (kcal/mol) = -31.60

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(121); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.799e+00 -5.744e-01 -3.257e-01 -1.217e-01 / CHEB/ 7.989e-01 2.465e-01 1.376e-01 4.867e-02 / CHEB/ 1.173e-01 1.429e-01 7.251e-02 2.029e-02 / CHEB/ 7.214e-02 9.694e-02 4.888e-02 1.296e-02 / CHEB/ 2.657e-02 1.477e-02 1.062e-02 5.444e-03 / CHEB/ -6.623e-04 -1.706e-02 -5.942e-03 6.831e-04 /

4787.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	-1.1	-0.6	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-2.5	-1.4	-0.7	-0.2

Chebyshev(coeffs=[[3.85384,-0.549834,-0.313306,-0.118408],[1.43899,0.257425,0.142991,0.0500067],[0.321899,0.132717,0.0678719,0.0194763],[0.118151,0.0852865,0.0440137,0.0125815],[0.0320827,0.0091237,0.00829182,0.00533018],[-0.00180633,-0.0176152,-0.00638318,0.000473667]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.88
S298 (cal/mol*K) = -53.02
G298 (kcal/mol) = -46.08

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(310); C2H4(72), C7H11(310); C5H7(210)+C2H4(72)(+M)=>C7H11(310)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.854e+00 -5.498e-01 -3.133e-01 -1.184e-01 / CHEB/ 1.439e+00 2.574e-01 1.430e-01 5.001e-02 / CHEB/ 3.219e-01 1.327e-01 6.787e-02 1.948e-02 / CHEB/ 1.182e-01 8.529e-02 4.401e-02 1.258e-02 / CHEB/ 3.208e-02 9.124e-03 8.292e-03 5.330e-03 / CHEB/ -1.806e-03 -1.762e-02 -6.383e-03 4.737e-04 /

4788.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	-0.2	+0.1	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-1.3	-0.5	+0.0	+0.3

Chebyshev(coeffs=[[4.92376,-0.562995,-0.320009,-0.120225],[1.08519,0.251397,0.139958,0.04919],[0.20583,0.13779,0.0701517,0.0198333],[0.0902318,0.0912118,0.046473,0.012748],[0.0277814,0.0120196,0.00949304,0.00538979],[-0.00217802,-0.0172823,-0.00612219,0.000596104]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.68
S298 (cal/mol*K) = -53.75
G298 (kcal/mol) = -53.66

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(311); C2H4(72), C7H11(311); C5H7(210)+C2H4(72)(+M)=>C7H11(311)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.924e+00 -5.630e-01 -3.200e-01 -1.202e-01 / CHEB/ 1.085e+00 2.514e-01 1.400e-01 4.919e-02 / CHEB/ 2.058e-01 1.378e-01 7.015e-02 1.983e-02 / CHEB/ 9.023e-02 9.121e-02 4.647e-02 1.275e-02 / CHEB/ 2.778e-02 1.202e-02 9.493e-03 5.390e-03 / CHEB/ -2.178e-03 -1.728e-02 -6.122e-03 5.961e-04 /

4789.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-8.3	-5.2	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-8.4	-5.3	-3.6

Chebyshev(coeffs=[[-9.45043,-0.226259,-0.141215,-0.064606],[11.1981,0.0831497,0.0483912,0.0189201],[0.45668,0.0628758,0.0372533,0.015313],[0.179124,0.0370761,0.0236984,0.0112892],[0.0391854,0.00175408,0.00290329,0.00285308],[-0.00388716,-0.00760523,-0.00395603,-0.00111457]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.82
S298 (cal/mol*K) = -21.09
G298 (kcal/mol) = 39.11

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(312); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(312)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.450e+00 -2.263e-01 -1.412e-01 -6.461e-02 / CHEB/ 1.120e+01 8.315e-02 4.839e-02 1.892e-02 / CHEB/ 4.567e-01 6.288e-02 3.725e-02 1.531e-02 / CHEB/ 1.791e-01 3.708e-02 2.370e-02 1.129e-02 / CHEB/ 3.919e-02 1.754e-03 2.903e-03 2.853e-03 / CHEB/ -3.887e-03 -7.605e-03 -3.956e-03 -1.115e-03 /

4790.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-7.6	-4.5	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-15.9	-7.8	-4.5	-2.8

Chebyshev(coeffs=[[-8.82163,-0.226259,-0.141215,-0.064606],[11.3102,0.0831497,0.0483912,0.0189201],[0.481422,0.0628758,0.0372533,0.015313],[0.186409,0.0370761,0.0236984,0.0112892],[0.0415973,0.00175408,0.00290329,0.00285308],[-0.00303746,-0.00760523,-0.00395603,-0.00111457]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.82
S298 (cal/mol*K) = -21.09
G298 (kcal/mol) = 39.11

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(313); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(313)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.822e+00 -2.263e-01 -1.412e-01 -6.461e-02 / CHEB/ 1.131e+01 8.315e-02 4.839e-02 1.892e-02 / CHEB/ 4.814e-01 6.288e-02 3.725e-02 1.531e-02 / CHEB/ 1.864e-01 3.708e-02 2.370e-02 1.129e-02 / CHEB/ 4.160e-02 1.754e-03 2.903e-03 2.853e-03 / CHEB/ -3.037e-03 -7.605e-03 -3.956e-03 -1.115e-03 /

4791.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-8.5	-5.2	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-8.6	-5.2	-3.4

Chebyshev(coeffs=[[-10.0837,-0.212683,-0.13374,-0.0620528],[11.9954,0.0742835,0.0436516,0.0174421],[0.458591,0.0599047,0.0358249,0.0150081],[0.183696,0.0359762,0.0230689,0.0110594],[0.0424389,0.00196914,0.00286643,0.00271275],[-0.00250681,-0.0071713,-0.0037831,-0.00111438]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.52
S298 (cal/mol*K) = -21.82
G298 (kcal/mol) = 42.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(314); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(314)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.008e+01 -2.127e-01 -1.337e-01 -6.205e-02 / CHEB/ 1.200e+01 7.428e-02 4.365e-02 1.744e-02 / CHEB/ 4.586e-01 5.990e-02 3.582e-02 1.501e-02 / CHEB/ 1.837e-01 3.598e-02 2.307e-02 1.106e-02 / CHEB/ 4.244e-02 1.969e-03 2.866e-03 2.713e-03 / CHEB/ -2.507e-03 -7.171e-03 -3.783e-03 -1.114e-03 /

4792.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-6.0	-3.5	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-6.1	-3.5	-2.1

Chebyshev(coeffs=[[-5.26946,-0.298819,-0.180438,-0.0774542],[8.36945,0.133772,0.075327,0.0273411],[0.602132,0.0764289,0.0432975,0.0161615],[0.194659,0.0425164,0.0265583,0.012087],[0.0373568,0.000729019,0.00315945,0.00357288],[-0.00469617,-0.00986424,-0.00476185,-0.00101266]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.12
S298 (cal/mol*K) = -23.20
G298 (kcal/mol) = 29.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(254); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(254)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.269e+00 -2.988e-01 -1.804e-01 -7.745e-02 / CHEB/ 8.369e+00 1.338e-01 7.533e-02 2.734e-02 / CHEB/ 6.021e-01 7.643e-02 4.330e-02 1.616e-02 / CHEB/ 1.947e-01 4.252e-02 2.656e-02 1.209e-02 / CHEB/ 3.736e-02 7.290e-04 3.159e-03 3.573e-03 / CHEB/ -4.696e-03 -9.864e-03 -4.762e-03 -1.013e-03 /

4793.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	-6.5	-3.8	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-6.6	-3.9	-2.3

Chebyshev(coeffs=[[-6.28996,-0.277651,-0.169062,-0.073769],[9.13649,0.118318,0.0670685,0.0247035],[0.566522,0.0730939,0.0419163,0.0160767],[0.195203,0.0409841,0.0258006,0.0119249],[0.0388908,0.000927257,0.00303714,0.00335874],[-0.00455059,-0.00921075,-0.00454134,-0.00105532]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.02
S298 (cal/mol*K) = -21.82
G298 (kcal/mol) = 31.52

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(315); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(315)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.290e+00 -2.777e-01 -1.691e-01 -7.377e-02 / CHEB/ 9.136e+00 1.183e-01 6.707e-02 2.470e-02 / CHEB/ 5.665e-01 7.309e-02 4.192e-02 1.608e-02 / CHEB/ 1.952e-01 4.098e-02 2.580e-02 1.192e-02 / CHEB/ 3.889e-02 9.273e-04 3.037e-03 3.359e-03 / CHEB/ -4.551e-03 -9.211e-03 -4.541e-03 -1.055e-03 /

4794.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-6.3	-3.6	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-6.5	-3.7	-2.1

Chebyshev(coeffs=[[-6.17484,-0.277651,-0.169062,-0.073769],[9.24336,0.118318,0.0670685,0.0247035],[0.590121,0.0730939,0.0419163,0.0160767],[0.202151,0.0409841,0.0258006,0.0119249],[0.0411912,0.000927257,0.00303714,0.00335874],[-0.00374015,-0.00921075,-0.00454134,-0.00105532]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.02
S298 (cal/mol*K) = -21.82
G298 (kcal/mol) = 31.52

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(316); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(316)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.175e+00 -2.777e-01 -1.691e-01 -7.377e-02 / CHEB/ 9.243e+00 1.183e-01 6.707e-02 2.470e-02 / CHEB/ 5.901e-01 7.309e-02 4.192e-02 1.608e-02 / CHEB/ 2.022e-01 4.098e-02 2.580e-02 1.192e-02 / CHEB/ 4.119e-02 9.273e-04 3.037e-03 3.359e-03 / CHEB/ -3.740e-03 -9.211e-03 -4.541e-03 -1.055e-03 /

4795.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+2.0	+1.9	+1.9
log₁₀(k(10 bar)/[mole,m,s])	+1.5	+1.7	+1.8	+1.8

Chebyshev(coeffs=[[7.43847,-0.590765,-0.333978,-0.123856],[0.400831,0.234801,0.131741,0.0471152],[-0.0400442,0.146623,0.0739952,0.0203134],[0.0212368,0.104543,0.0519571,0.0130901],[0.0125564,0.0197851,0.0126658,0.00553036],[-0.00418722,-0.0154477,-0.00514571,0.000835726]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.76
S298 (cal/mol*K) = -43.42
G298 (kcal/mol) = -42.83

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(317); C2H4(72), C7H11(317); C5H7(210)+C2H4(72)(+M)=>C7H11(317)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.438e+00 -5.908e-01 -3.340e-01 -1.239e-01 / CHEB/ 4.008e-01 2.348e-01 1.317e-01 4.712e-02 / CHEB/ -4.004e-02 1.466e-01 7.400e-02 2.031e-02 / CHEB/ 2.124e-02 1.045e-01 5.196e-02 1.309e-02 / CHEB/ 1.256e-02 1.979e-02 1.267e-02 5.530e-03 / CHEB/ -4.187e-03 -1.545e-02 -5.146e-03 8.357e-04 /

4796.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-4.4	-2.5	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-4.6	-2.5	-1.4

Chebyshev(coeffs=[[-2.09393,-0.372619,-0.220167,-0.090434],[5.84986,0.187608,0.104663,0.0372766],[0.652689,0.0868877,0.0472497,0.016002],[0.175255,0.0489676,0.0294188,0.012373],[0.0290815,0.000256148,0.00364649,0.00426864],[-0.00680746,-0.0121714,-0.00543612,-0.000751272]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.71
S298 (cal/mol*K) = -22.13
G298 (kcal/mol) = 17.30

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(318); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(318)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.094e+00 -3.726e-01 -2.202e-01 -9.043e-02 / CHEB/ 5.850e+00 1.876e-01 1.047e-01 3.728e-02 / CHEB/ 6.527e-01 8.689e-02 4.725e-02 1.600e-02 / CHEB/ 1.753e-01 4.897e-02 2.942e-02 1.237e-02 / CHEB/ 2.908e-02 2.561e-04 3.646e-03 4.269e-03 / CHEB/ -6.807e-03 -1.217e-02 -5.436e-03 -7.513e-04 /

4797.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	-0.1	+0.4	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-1.3	-0.4	+0.2	+0.6

Chebyshev(coeffs=[[4.98628,-0.557825,-0.317366,-0.119498],[1.22391,0.2544,0.141499,0.0496295],[0.256691,0.136205,0.0694813,0.0197714],[0.104381,0.088896,0.0455221,0.0126958],[0.0305531,0.0107131,0.00894859,0.00535935],[-0.00146239,-0.0175683,-0.0062919,0.000541477]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.14
S298 (cal/mol*K) = -54.15
G298 (kcal/mol) = -52.01

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(320); C2H4(72), C7H11(320); C5H7(210)+C2H4(72)(+M)=>C7H11(320)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.986e+00 -5.578e-01 -3.174e-01 -1.195e-01 / CHEB/ 1.224e+00 2.544e-01 1.415e-01 4.963e-02 / CHEB/ 2.567e-01 1.362e-01 6.948e-02 1.977e-02 / CHEB/ 1.044e-01 8.890e-02 4.552e-02 1.270e-02 / CHEB/ 3.055e-02 1.071e-02 8.949e-03 5.359e-03 / CHEB/ -1.462e-03 -1.757e-02 -6.292e-03 5.415e-04 /

4798.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.4	-12.0	-8.0	-5.9
log₁₀(k(10 bar)/[mole,m,s])	-22.6	-12.1	-8.1	-5.9

Chebyshev(coeffs=[[-15.3059,-0.171673,-0.110536,-0.0535735],[14.6639,0.0529267,0.0322037,0.0138839],[0.50298,0.0492892,0.0304573,0.0136205],[0.197836,0.0311263,0.02023,0.00995149],[0.0525745,0.00218514,0.00249385,0.00215682],[0.00297712,-0.00582447,-0.00324006,-0.00111304]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.02
S298 (cal/mol*K) = -30.84
G298 (kcal/mol) = 53.21

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(321); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.531e+01 -1.717e-01 -1.105e-01 -5.357e-02 / CHEB/ 1.466e+01 5.293e-02 3.220e-02 1.388e-02 / CHEB/ 5.030e-01 4.929e-02 3.046e-02 1.362e-02 / CHEB/ 1.978e-01 3.113e-02 2.023e-02 9.951e-03 / CHEB/ 5.257e-02 2.185e-03 2.494e-03 2.157e-03 / CHEB/ 2.977e-03 -5.824e-03 -3.240e-03 -1.113e-03 /

4801.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-1.3	+0.2	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-1.9	-0.0	+0.6

Chebyshev(coeffs=[[-1.14569,-1.87404,-0.333574,0.0124119],[7.9514,1.4083,0.0137572,-0.0942173],[0.204923,0.377633,0.16308,3.74026e-05],[-0.26334,-0.0581552,0.0529052,0.0241063],[-0.106556,-0.0744632,-0.0121799,0.00941855],[0.00483775,-0.0136827,-0.0130457,-0.00134747]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.91
S298 (cal/mol*K) = -2.55
G298 (kcal/mol) = 16.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H7(497); C2H4(115), CH3(423); C2H4(115)+C5H6(62)(+M)=>C6H7(497)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.146e+00 -1.874e+00 -3.336e-01 1.241e-02 / CHEB/ 7.951e+00 1.408e+00 1.376e-02 -9.422e-02 / CHEB/ 2.049e-01 3.776e-01 1.631e-01 3.740e-05 / CHEB/ -2.633e-01 -5.816e-02 5.291e-02 2.411e-02 / CHEB/ -1.066e-01 -7.446e-02 -1.218e-02 9.419e-03 / CHEB/ 4.838e-03 -1.368e-02 -1.305e-02 -1.347e-03 /

4802.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-5.6	-3.5	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-6.1	-3.7	-2.8

Chebyshev(coeffs=[[-6.42944,-1.77402,-0.369956,0.00842504],[9.69483,1.39864,0.0811418,-0.0965728],[0.235802,0.321887,0.159147,0.00963975],[-0.197375,-0.0817341,0.037641,0.0255644],[-0.0769672,-0.0699552,-0.0169289,0.00719871],[0.00720559,-0.00612633,-0.0107564,-0.00206643]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.05
S298 (cal/mol*K) = -12.50
G298 (kcal/mol) = 26.77

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(498); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(498)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.429e+00 -1.774e+00 -3.700e-01 8.425e-03 / CHEB/ 9.695e+00 1.399e+00 8.114e-02 -9.657e-02 / CHEB/ 2.358e-01 3.219e-01 1.591e-01 9.640e-03 / CHEB/ -1.974e-01 -8.173e-02 3.764e-02 2.556e-02 / CHEB/ -7.697e-02 -6.996e-02 -1.693e-02 7.199e-03 / CHEB/ 7.206e-03 -6.126e-03 -1.076e-02 -2.066e-03 /

4803.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-3.3	-1.1	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-3.7	-1.3	-0.2

Chebyshev(coeffs=[[-5.03099,-1.56996,-0.421679,-0.00676383],[11.0622,1.31058,0.187916,-0.0867815],[-0.0155946,0.232444,0.141313,0.0243439],[-0.196496,-0.102968,0.0117608,0.0243075],[-0.0715436,-0.0525596,-0.0196406,0.00256901],[-0.00572836,0.00534836,-0.00503965,-0.00246033]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.20
S298 (cal/mol*K) = 3.51
G298 (kcal/mol) = 30.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H5(99); C2H4(115), C3H5(489); C2H4(115)+C5H6(62)(+M)=>C4H5(99)+C3H5(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.031e+00 -1.570e+00 -4.217e-01 -6.764e-03 / CHEB/ 1.106e+01 1.311e+00 1.879e-01 -8.678e-02 / CHEB/ -1.559e-02 2.324e-01 1.413e-01 2.434e-02 / CHEB/ -1.965e-01 -1.030e-01 1.176e-02 2.431e-02 / CHEB/ -7.154e-02 -5.256e-02 -1.964e-02 2.569e-03 / CHEB/ -5.728e-03 5.348e-03 -5.040e-03 -2.460e-03 /

4804.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-3.3	-1.1	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-3.7	-1.3	-0.2

Chebyshev(coeffs=[[-5.03102,-1.56996,-0.421679,-0.00676345],[11.0622,1.31058,0.187915,-0.0867819],[-0.0155892,0.232446,0.141313,0.0243437],[-0.196496,-0.102968,0.0117612,0.0243076],[-0.0715434,-0.0525599,-0.0196407,0.00256909],[-0.00572803,0.0053482,-0.00503976,-0.00246033]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.20
S298 (cal/mol*K) = 3.51
G298 (kcal/mol) = 30.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(494); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C2H3(100)+C5H7(494)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.031e+00 -1.570e+00 -4.217e-01 -6.763e-03 / CHEB/ 1.106e+01 1.311e+00 1.879e-01 -8.678e-02 / CHEB/ -1.559e-02 2.324e-01 1.413e-01 2.434e-02 / CHEB/ -1.965e-01 -1.030e-01 1.176e-02 2.431e-02 / CHEB/ -7.154e-02 -5.256e-02 -1.964e-02 2.569e-03 / CHEB/ -5.728e-03 5.348e-03 -5.040e-03 -2.460e-03 /

4805.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-5.0	-2.8	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-5.5	-3.0	-1.9

Chebyshev(coeffs=[[-6.15027,-1.73444,-0.382182,0.0062911],[10.2352,1.38685,0.104763,-0.0962343],[0.234491,0.302635,0.156475,0.0130372],[-0.179674,-0.088218,0.0321017,0.0257104],[-0.0692143,-0.067169,-0.0180651,0.0062722],[0.0067985,-0.00342717,-0.00970701,-0.00225834]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.25
S298 (cal/mol*K) = -12.92
G298 (kcal/mol) = 29.10

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(503); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(503)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.150e+00 -1.734e+00 -3.822e-01 6.291e-03 / CHEB/ 1.024e+01 1.387e+00 1.048e-01 -9.623e-02 / CHEB/ 2.345e-01 3.026e-01 1.565e-01 1.304e-02 / CHEB/ -1.797e-01 -8.822e-02 3.210e-02 2.571e-02 / CHEB/ -6.921e-02 -6.717e-02 -1.807e-02 6.272e-03 / CHEB/ 6.798e-03 -3.427e-03 -9.707e-03 -2.258e-03 /

4806.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+0.7	+2.1	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-4.7	-0.1	+1.7	+2.6

Chebyshev(coeffs=[[3.53531,-2.06175,-0.245931,0.0187037],[4.38144,1.22066,-0.164873,-0.101304],[0.671003,0.51647,0.113191,-0.0317041],[-0.0328568,0.0551953,0.0800156,0.0135138],[-0.00985538,-0.0561869,0.0170696,0.0132286],[0.0543337,-0.0375077,-0.0059454,0.00401832]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.18
S298 (cal/mol*K) = -32.11
G298 (kcal/mol) = -14.61

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(505); C5H6(62), C7H10(505); C2H4(115)+C5H6(62)(+M)=>C7H10(505)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.535e+00 -2.062e+00 -2.459e-01 1.870e-02 / CHEB/ 4.381e+00 1.221e+00 -1.649e-01 -1.013e-01 / CHEB/ 6.710e-01 5.165e-01 1.132e-01 -3.170e-02 / CHEB/ -3.286e-02 5.520e-02 8.002e-02 1.351e-02 / CHEB/ -9.855e-03 -5.619e-02 1.707e-02 1.323e-02 / CHEB/ 5.433e-02 -3.751e-02 -5.945e-03 4.018e-03 /

4807.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+3.3	+4.5	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+2.6	+4.2	+4.7

Chebyshev(coeffs=[[4.61727,-2.00937,-0.269851,0.0208466],[6.05787,1.31739,-0.0988307,-0.0890914],[0.466023,0.481362,0.152443,-0.0138095],[-0.2931,0.00639218,0.0767211,0.0191199],[-0.149899,-0.0661041,0.00255984,0.0109019],[-0.0225885,-0.0225322,-0.0138916,-0.000316884]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.15
S298 (cal/mol*K) = -12.20
G298 (kcal/mol) = 0.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(506); C5H6(62), C7H10(506); C2H4(115)+C5H6(62)(+M)=>C7H10(506)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.617e+00 -2.009e+00 -2.699e-01 2.085e-02 / CHEB/ 6.058e+00 1.317e+00 -9.883e-02 -8.909e-02 / CHEB/ 4.660e-01 4.814e-01 1.524e-01 -1.381e-02 / CHEB/ -2.931e-01 6.392e-03 7.672e-02 1.912e-02 / CHEB/ -1.499e-01 -6.610e-02 2.560e-03 1.090e-02 / CHEB/ -2.259e-02 -2.253e-02 -1.389e-02 -3.169e-04 /

4808.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+3.3	+4.5	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+2.6	+4.2	+4.7

H298 (kcal/mol) = -3.15
S298 (cal/mol*K) = -12.20
G298 (kcal/mol) = 0.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(507); C5H6(62), C7H10(507); C2H4(115)+C5H6(62)(+M)=>C7H10(507)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.617e+00 -2.009e+00 -2.699e-01 2.085e-02 / CHEB/ 6.058e+00 1.317e+00 -9.883e-02 -8.909e-02 / CHEB/ 4.660e-01 4.814e-01 1.524e-01 -1.381e-02 / CHEB/ -2.931e-01 6.392e-03 7.672e-02 1.912e-02 / CHEB/ -1.499e-01 -6.610e-02 2.560e-03 1.090e-02 / CHEB/ -2.259e-02 -2.253e-02 -1.389e-02 -3.169e-04 /

4809.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	-0.9	-0.7	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-5.8	-1.9	-1.2	-1.3

Chebyshev(coeffs=[[2.03286,-2.12579,-0.236482,0.0323833],[3.21212,1.14296,-0.162197,-0.0813001],[0.112682,0.520638,0.114956,-0.0250904],[-0.366331,0.0901631,0.0874386,0.0138823],[-0.20776,-0.0276143,0.0208736,0.0108666],[-0.039708,-0.0173244,-0.00918824,-0.000814432]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.12
S298 (cal/mol*K) = -32.94
G298 (kcal/mol) = -17.31

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(508); C5H6(62), C7H10(508); C2H4(115)+C5H6(62)(+M)=>C7H10(508)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.033e+00 -2.126e+00 -2.365e-01 3.238e-02 / CHEB/ 3.212e+00 1.143e+00 -1.622e-01 -8.130e-02 / CHEB/ 1.127e-01 5.206e-01 1.150e-01 -2.509e-02 / CHEB/ -3.663e-01 9.016e-02 8.744e-02 1.388e-02 / CHEB/ -2.078e-01 -2.761e-02 2.087e-02 1.087e-02 / CHEB/ -3.971e-02 -1.732e-02 -9.188e-03 -8.144e-04 /

4810.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	-1.6	-0.5	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-2.3	-0.8	-0.4

Chebyshev(coeffs=[[-0.0362862,-2.0207,-0.265932,0.0218763],[5.68405,1.3024,-0.106717,-0.0886823],[0.405521,0.488653,0.149495,-0.015016],[-0.308146,0.0144658,0.078417,0.0185917],[-0.150524,-0.0639006,0.00432804,0.0109302],[-0.00535461,-0.0232452,-0.0136345,-0.000257638]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.44
S298 (cal/mol*K) = -35.02
G298 (kcal/mol) = 5.99

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(509); C5H6(62), C7H10(509); C2H4(115)+C5H6(62)(+M)=>C7H10(509)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.629e-02 -2.021e+00 -2.659e-01 2.188e-02 / CHEB/ 5.684e+00 1.302e+00 -1.067e-01 -8.868e-02 / CHEB/ 4.055e-01 4.887e-01 1.495e-01 -1.502e-02 / CHEB/ -3.081e-01 1.447e-02 7.842e-02 1.859e-02 / CHEB/ -1.505e-01 -6.390e-02 4.328e-03 1.093e-02 / CHEB/ -5.355e-03 -2.325e-02 -1.363e-02 -2.576e-04 /

4829.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+4.0	+4.3	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+3.7	+4.1	+4.4

Chebyshev(coeffs=[[9.15078,-0.680941,-0.360962,-0.114758],[0.974288,0.479122,0.21455,0.0348336],[0.182199,0.0551809,0.0510633,0.0310641],[0.0400727,0.0303878,0.0179089,0.00894523],[0.00325802,0.014665,0.00761382,0.0024429],[-0.00900483,0.00172168,0.00246604,0.0020112]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.51
S298 (cal/mol*K) = -57.55
G298 (kcal/mol) = -22.36

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(760); C2H4(72), C7H11(760); C5H7(210)+C2H4(72)(+M)=>C7H11(760)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.151e+00 -6.809e-01 -3.610e-01 -1.148e-01 / CHEB/ 9.743e-01 4.791e-01 2.146e-01 3.483e-02 / CHEB/ 1.822e-01 5.518e-02 5.106e-02 3.106e-02 / CHEB/ 4.007e-02 3.039e-02 1.791e-02 8.945e-03 / CHEB/ 3.258e-03 1.467e-02 7.614e-03 2.443e-03 / CHEB/ -9.005e-03 1.722e-03 2.466e-03 2.011e-03 /

4830.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+2.0	+3.0	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-0.0	+1.9	+3.0	+3.6

Chebyshev(coeffs=[[6.63997,-0.6296,-0.337029,-0.109981],[2.20061,0.489622,0.225239,0.0417845],[0.596573,0.0354453,0.0423474,0.0307445],[0.143326,0.0179124,0.0110511,0.00677615],[0.021381,0.010111,0.0050791,0.00143055],[-0.00771281,0.000241488,0.00158497,0.00167607]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.46
S298 (cal/mol*K) = -23.57
G298 (kcal/mol) = -16.44

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(511); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(511)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.640e+00 -6.296e-01 -3.370e-01 -1.100e-01 / CHEB/ 2.201e+00 4.896e-01 2.252e-01 4.178e-02 / CHEB/ 5.966e-01 3.545e-02 4.235e-02 3.074e-02 / CHEB/ 1.433e-01 1.791e-02 1.105e-02 6.776e-03 / CHEB/ 2.138e-02 1.011e-02 5.079e-03 1.431e-03 / CHEB/ -7.713e-03 2.415e-04 1.585e-03 1.676e-03 /

4831.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-3.2	-0.1	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-3.3	-0.1	+1.5

Chebyshev(coeffs=[[-4.90163,-0.243869,-0.156021,-0.0744617],[11.9861,0.16326,0.0995149,0.0428404],[0.327238,0.0158655,0.01298,0.00879605],[0.103881,0.0191354,0.0115382,0.00488015],[-0.00225412,0.00481533,0.00358567,0.00217705],[-0.02192,-0.00209279,-0.00075587,0.000194215]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.12
S298 (cal/mol*K) = 1.21
G298 (kcal/mol) = 35.76

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H6(756); C2H4(72), C3H5(489); C5H7(210)+C2H4(72)(+M)=>C4H6(756)+C3H5(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.902e+00 -2.439e-01 -1.560e-01 -7.446e-02 / CHEB/ 1.199e+01 1.633e-01 9.951e-02 4.284e-02 / CHEB/ 3.272e-01 1.587e-02 1.298e-02 8.796e-03 / CHEB/ 1.039e-01 1.914e-02 1.154e-02 4.880e-03 / CHEB/ -2.254e-03 4.815e-03 3.586e-03 2.177e-03 / CHEB/ -2.192e-02 -2.093e-03 -7.559e-04 1.942e-04 /

4832.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-4.0	-1.3	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-4.1	-1.4	+0.1

Chebyshev(coeffs=[[-3.48938,-0.353692,-0.215094,-0.0927065],[8.72251,0.2623,0.147453,0.0522088],[0.709389,0.0165817,0.0179394,0.0147802],[0.179829,0.0176823,0.0100185,0.00384086],[0.0150319,0.0067412,0.00448716,0.00226445],[-0.0150241,-0.00149557,1.70152e-05,0.000893478]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.41
S298 (cal/mol*K) = -20.33
G298 (kcal/mol) = 27.46

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(695); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(695)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.489e+00 -3.537e-01 -2.151e-01 -9.271e-02 / CHEB/ 8.723e+00 2.623e-01 1.475e-01 5.221e-02 / CHEB/ 7.094e-01 1.658e-02 1.794e-02 1.478e-02 / CHEB/ 1.798e-01 1.768e-02 1.002e-02 3.841e-03 / CHEB/ 1.503e-02 6.741e-03 4.487e-03 2.264e-03 / CHEB/ -1.502e-02 -1.496e-03 1.702e-05 8.935e-04 /

4833.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-5.9	-2.1	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-6.0	-2.2	-0.2

Chebyshev(coeffs=[[-8.94934,-0.2188,-0.141483,-0.0689199],[14.1613,0.141884,0.0880067,0.0393482],[0.474004,0.0152924,0.0119052,0.00765698],[0.152599,0.0189357,0.0116042,0.00507265],[0.0162001,0.00435461,0.00329777,0.00205261],[-0.0151308,-0.00213489,-0.000876732,5.03692e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.82
S298 (cal/mol*K) = -9.76
G298 (kcal/mol) = 44.72

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(577); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(577)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.949e+00 -2.188e-01 -1.415e-01 -6.892e-02 / CHEB/ 1.416e+01 1.419e-01 8.801e-02 3.935e-02 / CHEB/ 4.740e-01 1.529e-02 1.191e-02 7.657e-03 / CHEB/ 1.526e-01 1.894e-02 1.160e-02 5.073e-03 / CHEB/ 1.620e-02 4.355e-03 3.298e-03 2.053e-03 / CHEB/ -1.513e-02 -2.135e-03 -8.767e-04 5.037e-05 /

4834.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-3.9	-0.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-3.9	-0.4	+1.4

Chebyshev(coeffs=[[-6.45841,-0.225402,-0.14535,-0.0704303],[13.3807,0.147463,0.0910523,0.0403158],[0.393549,0.0154522,0.0121823,0.00794535],[0.127568,0.0190146,0.0116026,0.00502764],[0.00729614,0.00447849,0.00337762,0.00208969],[-0.0183613,-0.00212817,-0.00084782,8.68983e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.87
S298 (cal/mol*K) = -3.51
G298 (kcal/mol) = 40.91

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(761); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>CH3(423)+C6H8(761)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.458e+00 -2.254e-01 -1.453e-01 -7.043e-02 / CHEB/ 1.338e+01 1.475e-01 9.105e-02 4.032e-02 / CHEB/ 3.935e-01 1.545e-02 1.218e-02 7.945e-03 / CHEB/ 1.276e-01 1.901e-02 1.160e-02 5.028e-03 / CHEB/ 7.296e-03 4.478e-03 3.378e-03 2.090e-03 / CHEB/ -1.836e-02 -2.128e-03 -8.478e-04 8.690e-05 /

4835.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.3	-8.1	-4.0	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-8.2	-4.1	-1.9

Chebyshev(coeffs=[[-12.0848,-0.195583,-0.127677,-0.0633185],[15.5815,0.122603,0.0772479,0.0356887],[0.437509,0.0146559,0.0109516,0.00670774],[0.145628,0.0185039,0.0115121,0.00518971],[0.0161518,0.00390186,0.0029931,0.0018979],[-0.0147226,-0.00213344,-0.000961019,-6.9262e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.01
S298 (cal/mol*K) = -13.45
G298 (kcal/mol) = 51.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(697); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(697)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.208e+01 -1.956e-01 -1.277e-01 -6.332e-02 / CHEB/ 1.558e+01 1.226e-01 7.725e-02 3.569e-02 / CHEB/ 4.375e-01 1.466e-02 1.095e-02 6.708e-03 / CHEB/ 1.456e-01 1.850e-02 1.151e-02 5.190e-03 / CHEB/ 1.615e-02 3.902e-03 2.993e-03 1.898e-03 / CHEB/ -1.472e-02 -2.133e-03 -9.610e-04 -6.926e-05 /

4836.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.3	-8.1	-4.0	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-8.2	-4.1	-1.9

H298 (kcal/mol) = 47.01
S298 (cal/mol*K) = -13.45
G298 (kcal/mol) = 51.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(702); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(702)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.208e+01 -1.956e-01 -1.277e-01 -6.332e-02 / CHEB/ 1.558e+01 1.226e-01 7.725e-02 3.569e-02 / CHEB/ 4.375e-01 1.466e-02 1.095e-02 6.708e-03 / CHEB/ 1.456e-01 1.850e-02 1.151e-02 5.190e-03 / CHEB/ 1.615e-02 3.902e-03 2.993e-03 1.898e-03 / CHEB/ -1.472e-02 -2.133e-03 -9.610e-04 -6.926e-05 /

4837.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+2.9	+3.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+2.7	+2.9	+3.0

Chebyshev(coeffs=[[8.25367,-0.690908,-0.365523,-0.115574],[0.656828,0.476443,0.212336,0.0336281],[0.0862327,0.059428,0.0529235,0.0311454],[0.017274,0.0336231,0.0195881,0.00939036],[0.00046055,0.0159343,0.00828455,0.00266919],[-0.00790088,0.0019968,0.00263004,0.00207677]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.36
S298 (cal/mol*K) = -57.63
G298 (kcal/mol) = -46.19

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(762); C2H4(72), C7H11(762); C5H7(210)+C2H4(72)(+M)=>C7H11(762)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.254e+00 -6.909e-01 -3.655e-01 -1.156e-01 / CHEB/ 6.568e-01 4.764e-01 2.123e-01 3.363e-02 / CHEB/ 8.623e-02 5.943e-02 5.292e-02 3.115e-02 / CHEB/ 1.727e-02 3.362e-02 1.959e-02 9.390e-03 / CHEB/ 4.605e-04 1.593e-02 8.285e-03 2.669e-03 / CHEB/ -7.901e-03 1.997e-03 2.630e-03 2.077e-03 /

4838.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.5	-7.4	-3.4	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-7.4	-3.4	-1.4

Chebyshev(coeffs=[[-11.424,-0.186292,-0.122061,-0.060952],[15.6205,0.115025,0.0729187,0.0341131],[0.29255,0.0143917,0.0105926,0.00636224],[0.104255,0.0182527,0.0114246,0.00521374],[0.0033237,0.00371285,0.0028606,0.00182531],[-0.01903,-0.00212074,-0.000986077,-0.000112413]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.42
S298 (cal/mol*K) = -6.07
G298 (kcal/mol) = 50.23

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(763); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(763)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.142e+01 -1.863e-01 -1.221e-01 -6.095e-02 / CHEB/ 1.562e+01 1.150e-01 7.292e-02 3.411e-02 / CHEB/ 2.926e-01 1.439e-02 1.059e-02 6.362e-03 / CHEB/ 1.043e-01 1.825e-02 1.142e-02 5.214e-03 / CHEB/ 3.324e-03 3.713e-03 2.861e-03 1.825e-03 / CHEB/ -1.903e-02 -2.121e-03 -9.861e-04 -1.124e-04 /

4839.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.0	-10.6	-6.1	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-23.1	-10.7	-6.1	-3.7

Chebyshev(coeffs=[[-15.665,-0.171791,-0.113141,-0.0570389],[17.3181,0.105966,0.0677694,0.0322701],[0.47238,0.0134281,0.00976874,0.00577855],[0.152171,0.0174111,0.0109893,0.00510039],[0.0178788,0.00318879,0.00250207,0.00163424],[-0.0137394,-0.00221127,-0.00109826,-0.000217133]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.41
S298 (cal/mol*K) = -21.15
G298 (kcal/mol) = 58.71

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(764); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(764)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.567e+01 -1.718e-01 -1.131e-01 -5.704e-02 / CHEB/ 1.732e+01 1.060e-01 6.777e-02 3.227e-02 / CHEB/ 4.724e-01 1.343e-02 9.769e-03 5.779e-03 / CHEB/ 1.522e-01 1.741e-02 1.099e-02 5.100e-03 / CHEB/ 1.788e-02 3.189e-03 2.502e-03 1.634e-03 / CHEB/ -1.374e-02 -2.211e-03 -1.098e-03 -2.171e-04 /

4840.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.5	-12.4	-4.5	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-36.7	-12.5	-4.5	-0.6

Chebyshev(coeffs=[[-28.6168,-0.211396,-0.129036,-0.0558863],[34.0607,0.130053,0.0733539,0.0259121],[0.0202816,0.0450179,0.0273896,0.0117327],[-0.0453221,-0.0122165,-0.00451356,0.000832148],[-0.0416676,-0.00160991,-0.00133331,-0.000860473],[-0.0266502,-0.000439541,-0.000752088,-0.000773906]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.26
S298 (cal/mol*K) = 24.41
G298 (kcal/mol) = 99.98

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(624); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>CH2(137)+C6H8(624)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.862e+01 -2.114e-01 -1.290e-01 -5.589e-02 / CHEB/ 3.406e+01 1.301e-01 7.335e-02 2.591e-02 / CHEB/ 2.028e-02 4.502e-02 2.739e-02 1.173e-02 / CHEB/ -4.532e-02 -1.222e-02 -4.514e-03 8.321e-04 / CHEB/ -4.167e-02 -1.610e-03 -1.333e-03 -8.605e-04 / CHEB/ -2.665e-02 -4.395e-04 -7.521e-04 -7.739e-04 /

4841.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	+1.0	+3.7	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-7.3	+0.6	+3.6	+5.0

Chebyshev(coeffs=[[0.303905,-0.980598,-0.230619,-0.0304344],[10.1252,0.64764,0.0280353,-0.0236595],[0.552521,0.199108,0.0631824,-0.0109667],[0.0726768,0.00466928,0.0391257,0.00673577],[-0.01125,-0.0213271,0.00976411,0.0102989],[-0.0103681,-0.0119096,-0.00388276,0.00470111]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.83
S298 (cal/mol*K) = -40.33
G298 (kcal/mol) = -44.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(625); C5H6(62), C7H10(625); C2H4(115)+C5H6(62)(+M)=>C7H10(625)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.039e-01 -9.806e-01 -2.306e-01 -3.043e-02 / CHEB/ 1.013e+01 6.476e-01 2.804e-02 -2.366e-02 / CHEB/ 5.525e-01 1.991e-01 6.318e-02 -1.097e-02 / CHEB/ 7.268e-02 4.669e-03 3.913e-02 6.736e-03 / CHEB/ -1.125e-02 -2.133e-02 9.764e-03 1.030e-02 / CHEB/ -1.037e-02 -1.191e-02 -3.883e-03 4.701e-03 /

4842.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-3.0	+0.1	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-3.3	-0.0	+1.5

Chebyshev(coeffs=[[-3.66836,-1.20006,-0.187892,0.000788558],[10.3003,0.955204,-0.0260207,-0.0642938],[0.843848,0.22986,0.102606,-0.00675644],[0.128982,-0.0676188,0.0445475,0.0196418],[-0.0179117,-0.0524302,0.000100434,0.0162822],[-0.0404681,-0.00605653,-0.0102185,0.00266079]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.62
S298 (cal/mol*K) = -5.64
G298 (kcal/mol) = 24.30

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H5(156); C2H4(115), C3H5(489); C2H4(115)+C5H6(62)(+M)=>C4H5(156)+C3H5(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.668e+00 -1.200e+00 -1.879e-01 7.886e-04 / CHEB/ 1.030e+01 9.552e-01 -2.602e-02 -6.429e-02 / CHEB/ 8.438e-01 2.299e-01 1.026e-01 -6.756e-03 / CHEB/ 1.290e-01 -6.762e-02 4.455e-02 1.964e-02 / CHEB/ -1.791e-02 -5.243e-02 1.004e-04 1.628e-02 / CHEB/ -4.047e-02 -6.057e-03 -1.022e-02 2.661e-03 /

4843.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-3.6	-0.7	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-3.9	-0.8	+0.8

Chebyshev(coeffs=[[-2.94224,-1.3896,-0.111775,0.00967747],[8.39649,1.07828,-0.131153,-0.0668423],[1.17056,0.292747,0.10142,-0.0156766],[0.149607,-0.0526348,0.0600813,0.0128966],[0.00306847,-0.0698687,0.0100646,0.0184788],[-0.0191441,-0.0213309,-0.00993675,0.00686752]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.31
S298 (cal/mol*K) = -21.63
G298 (kcal/mol) = 17.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(688); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(688)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.942e+00 -1.390e+00 -1.118e-01 9.677e-03 / CHEB/ 8.396e+00 1.078e+00 -1.312e-01 -6.684e-02 / CHEB/ 1.171e+00 2.927e-01 1.014e-01 -1.568e-02 / CHEB/ 1.496e-01 -5.263e-02 6.008e-02 1.290e-02 / CHEB/ 3.068e-03 -6.987e-02 1.006e-02 1.848e-02 / CHEB/ -1.914e-02 -2.133e-02 -9.937e-03 6.868e-03 /

4844.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-6.0	-2.7	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-6.3	-2.8	-1.1

Chebyshev(coeffs=[[-6.67082,-1.22534,-0.176603,0.00142082],[10.4261,0.979401,-0.0408425,-0.0637466],[1.01227,0.235477,0.104365,-0.00822296],[0.178858,-0.0686927,0.0469457,0.019319],[-0.00989751,-0.0551634,0.000468124,0.0168777],[-0.00936363,-0.00773737,-0.0105549,0.00303986]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.62
S298 (cal/mol*K) = -20.70
G298 (kcal/mol) = 27.79

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(689); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(689)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.671e+00 -1.225e+00 -1.766e-01 1.421e-03 / CHEB/ 1.043e+01 9.794e-01 -4.084e-02 -6.375e-02 / CHEB/ 1.012e+00 2.355e-01 1.044e-01 -8.223e-03 / CHEB/ 1.789e-01 -6.869e-02 4.695e-02 1.932e-02 / CHEB/ -9.898e-03 -5.516e-02 4.681e-04 1.688e-02 / CHEB/ -9.364e-03 -7.737e-03 -1.055e-02 3.040e-03 /

4845.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-4.1	-0.6	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-4.4	-0.7	+1.0

Chebyshev(coeffs=[[-6.24838,-1.03614,-0.242163,-0.00786071],[12.4588,0.829506,0.0565891,-0.0608899],[0.769213,0.184715,0.0984313,0.00489824],[0.133066,-0.0643016,0.0282722,0.0217586],[-0.0259487,-0.034593,-0.00486335,0.0118031],[-0.0490374,0.00025865,-0.00768743,-5.22538e-06]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.28
S298 (cal/mol*K) = -5.14
G298 (kcal/mol) = 33.81

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H7(690); C2H4(115), CH3(423); C2H4(115)+C5H6(62)(+M)=>CH3(423)+C6H7(690)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.248e+00 -1.036e+00 -2.422e-01 -7.861e-03 / CHEB/ 1.246e+01 8.295e-01 5.659e-02 -6.089e-02 / CHEB/ 7.692e-01 1.847e-01 9.843e-02 4.898e-03 / CHEB/ 1.331e-01 -6.430e-02 2.827e-02 2.176e-02 / CHEB/ -2.595e-02 -3.459e-02 -4.863e-03 1.180e-02 / CHEB/ -4.904e-02 2.586e-04 -7.687e-03 -5.225e-06 /

4846.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.9	-8.3	-4.3	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-19.7	-8.5	-4.4	-2.3

Chebyshev(coeffs=[[-11.6972,-0.910662,-0.273411,-0.0201349],[14.5062,0.722253,0.110421,-0.0495516],[0.791104,0.158585,0.0907541,0.0124221],[0.14633,-0.0548503,0.0167823,0.0207099],[-0.0244247,-0.0238176,-0.0057394,0.00818739],[-0.0492186,0.00105357,-0.00519035,-0.000956717]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.42
S298 (cal/mol*K) = -15.08
G298 (kcal/mol) = 43.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(691); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(691)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.170e+01 -9.107e-01 -2.734e-01 -2.013e-02 / CHEB/ 1.451e+01 7.223e-01 1.104e-01 -4.955e-02 / CHEB/ 7.911e-01 1.586e-01 9.075e-02 1.242e-02 / CHEB/ 1.463e-01 -5.485e-02 1.678e-02 2.071e-02 / CHEB/ -2.442e-02 -2.382e-02 -5.739e-03 8.187e-03 / CHEB/ -4.922e-02 1.054e-03 -5.190e-03 -9.567e-04 /

4847.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.2	-8.9	-4.7	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-20.9	-9.1	-4.8	-2.7

Chebyshev(coeffs=[[-12.9348,-0.843312,-0.285009,-0.0286838],[15.4311,0.662007,0.134201,-0.0401631],[0.745326,0.148041,0.085248,0.0155937],[0.134089,-0.0490147,0.0117074,0.0192684],[-0.0284963,-0.0196292,-0.00545255,0.00649767],[-0.0504513,0.000832796,-0.0040615,-0.00110981]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.92
S298 (cal/mol*K) = -15.08
G298 (kcal/mol) = 47.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(692); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(692)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.293e+01 -8.433e-01 -2.850e-01 -2.868e-02 / CHEB/ 1.543e+01 6.620e-01 1.342e-01 -4.016e-02 / CHEB/ 7.453e-01 1.480e-01 8.525e-02 1.559e-02 / CHEB/ 1.341e-01 -4.901e-02 1.171e-02 1.927e-02 / CHEB/ -2.850e-02 -1.963e-02 -5.453e-03 6.498e-03 / CHEB/ -5.045e-02 8.328e-04 -4.062e-03 -1.110e-03 /

4848.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.2	-8.9	-4.7	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-20.9	-9.1	-4.8	-2.7

H298 (kcal/mol) = 42.92
S298 (cal/mol*K) = -15.08
G298 (kcal/mol) = 47.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(693); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(693)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.293e+01 -8.433e-01 -2.850e-01 -2.868e-02 / CHEB/ 1.543e+01 6.620e-01 1.342e-01 -4.016e-02 / CHEB/ 7.453e-01 1.480e-01 8.525e-02 1.559e-02 / CHEB/ 1.341e-01 -4.901e-02 1.171e-02 1.927e-02 / CHEB/ -2.850e-02 -1.963e-02 -5.453e-03 6.498e-03 / CHEB/ -5.045e-02 8.328e-04 -4.062e-03 -1.110e-03 /

4849.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.9	-8.3	-4.3	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-19.7	-8.5	-4.4	-2.3

H298 (kcal/mol) = 39.42
S298 (cal/mol*K) = -15.08
G298 (kcal/mol) = 43.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(694); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(694)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.170e+01 -9.107e-01 -2.734e-01 -2.013e-02 / CHEB/ 1.451e+01 7.223e-01 1.104e-01 -4.955e-02 / CHEB/ 7.911e-01 1.586e-01 9.075e-02 1.242e-02 / CHEB/ 1.463e-01 -5.485e-02 1.678e-02 2.071e-02 / CHEB/ -2.442e-02 -2.382e-02 -5.739e-03 8.187e-03 / CHEB/ -4.922e-02 1.054e-03 -5.190e-03 -9.567e-04 /

4850.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-1.6	+0.1	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-7.0	-2.2	-0.1	+0.9

Chebyshev(coeffs=[[1.26934,-1.6207,-0.0486684,0.0426537],[4.73094,1.07861,-0.212455,-0.0903231],[0.858373,0.405187,0.0592956,-0.0275312],[0.0581515,0.0351709,0.0626125,0.0035991],[-0.0106942,-0.0543348,0.0272873,0.0126157],[0.00708038,-0.0475006,0.00090084,0.00937346]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.72
S298 (cal/mol*K) = -41.08
G298 (kcal/mol) = -12.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(695); C5H6(62), C7H10(695); C2H4(115)+C5H6(62)(+M)=>C7H10(695)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.269e+00 -1.621e+00 -4.867e-02 4.265e-02 / CHEB/ 4.731e+00 1.079e+00 -2.125e-01 -9.032e-02 / CHEB/ 8.584e-01 4.052e-01 5.930e-02 -2.753e-02 / CHEB/ 5.815e-02 3.517e-02 6.261e-02 3.599e-03 / CHEB/ -1.069e-02 -5.433e-02 2.729e-02 1.262e-02 / CHEB/ 7.080e-03 -4.750e-02 9.008e-04 9.373e-03 /

4851.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	-1.3	+0.7	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-1.9	+0.5	+1.7

Chebyshev(coeffs=[[0.883436,-1.54879,-0.0632194,0.0319232],[5.74597,1.1015,-0.195679,-0.0859608],[1.01497,0.367535,0.0775773,-0.0204788],[0.0786486,-0.00142172,0.0650342,0.00610905],[-0.00492517,-0.0668783,0.0224306,0.0146975],[-0.00056011,-0.0405496,-0.00366946,0.00963346]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.22
S298 (cal/mol*K) = -31.50
G298 (kcal/mol) = -1.83

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(696); C5H6(62), C7H10(696); C2H4(115)+C5H6(62)(+M)=>C7H10(696)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.834e-01 -1.549e+00 -6.322e-02 3.192e-02 / CHEB/ 5.746e+00 1.101e+00 -1.957e-01 -8.596e-02 / CHEB/ 1.015e+00 3.675e-01 7.758e-02 -2.048e-02 / CHEB/ 7.865e-02 -1.422e-03 6.503e-02 6.109e-03 / CHEB/ -4.925e-03 -6.688e-02 2.243e-02 1.470e-02 / CHEB/ -5.601e-04 -4.055e-02 -3.669e-03 9.633e-03 /

4852.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-7.2	-3.9	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-7.5	-4.0	-2.2

Chebyshev(coeffs=[[-8.29759,-1.19288,-0.190515,0.000561055],[10.9875,0.950098,-0.0221834,-0.0643684],[0.970931,0.227704,0.102538,-0.00623302],[0.168141,-0.0677838,0.0438652,0.0198133],[-0.00548967,-0.0516484,-0.00020434,0.0161158],[-0.0364863,-0.00562983,-0.0101554,0.00251834]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.88
S298 (cal/mol*K) = -34.20
G298 (kcal/mol) = 11.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(697); C5H6(62), C7H10(697); C2H4(115)+C5H6(62)(+M)=>C7H10(697)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.298e+00 -1.193e+00 -1.905e-01 5.611e-04 / CHEB/ 1.099e+01 9.501e-01 -2.218e-02 -6.437e-02 / CHEB/ 9.709e-01 2.277e-01 1.025e-01 -6.233e-03 / CHEB/ 1.681e-01 -6.778e-02 4.387e-02 1.981e-02 / CHEB/ -5.490e-03 -5.165e-02 -2.043e-04 1.612e-02 / CHEB/ -3.649e-02 -5.630e-03 -1.016e-02 2.518e-03 /

4853.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-4.5	-2.9	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-5.1	-3.1	-2.2

Chebyshev(coeffs=[[-1.66241,-1.5784,-0.0565742,0.0364417],[4.62858,1.09526,-0.203419,-0.0883686],[0.810924,0.383489,0.0703911,-0.0230436],[0.0273906,0.0125466,0.0645963,0.00524394],[-0.0219223,-0.0628867,0.0246029,0.0137885],[-0.0023599,-0.0439005,-0.00188102,0.00962122]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.31
S298 (cal/mol*K) = -47.47
G298 (kcal/mol) = -20.16

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(698); C5H6(62), C7H10(698); C2H4(115)+C5H6(62)(+M)=>C7H10(698)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.662e+00 -1.578e+00 -5.657e-02 3.644e-02 / CHEB/ 4.629e+00 1.095e+00 -2.034e-01 -8.837e-02 / CHEB/ 8.109e-01 3.835e-01 7.039e-02 -2.304e-02 / CHEB/ 2.739e-02 1.255e-02 6.460e-02 5.244e-03 / CHEB/ -2.192e-02 -6.289e-02 2.460e-02 1.379e-02 / CHEB/ -2.360e-03 -4.390e-02 -1.881e-03 9.621e-03 /

4854.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-5.3	-3.0	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-5.8	-3.2	-1.8

Chebyshev(coeffs=[[-3.40574,-1.52079,-0.0696071,0.0277774],[6.3057,1.10626,-0.187493,-0.0833678],[1.13575,0.352732,0.0839723,-0.0184572],[0.127417,-0.014357,0.0651486,0.0071506],[0.0012314,-0.070171,0.0202215,0.0156547],[-0.00145662,-0.0371301,-0.00525739,0.0094639]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.56
S298 (cal/mol*K) = -39.44
G298 (kcal/mol) = 0.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(699); C5H6(62), C7H10(699); C2H4(115)+C5H6(62)(+M)=>C7H10(699)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.406e+00 -1.521e+00 -6.961e-02 2.778e-02 / CHEB/ 6.306e+00 1.106e+00 -1.875e-01 -8.337e-02 / CHEB/ 1.136e+00 3.527e-01 8.397e-02 -1.846e-02 / CHEB/ 1.274e-01 -1.436e-02 6.515e-02 7.151e-03 / CHEB/ 1.231e-03 -7.017e-02 2.022e-02 1.565e-02 / CHEB/ -1.457e-03 -3.713e-02 -5.257e-03 9.464e-03 /

4855.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-6.2	-3.5	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-13.8	-6.6	-3.7	-2.2

Chebyshev(coeffs=[[-5.41248,-1.40976,-0.107187,0.0114601],[8.0363,1.07676,-0.139353,-0.0680637],[1.10431,0.303261,0.0976209,-0.0169571],[0.12995,-0.0456528,0.0609614,0.0114674],[0.00285629,-0.0698522,0.0120897,0.0181656],[-0.0154891,-0.024031,-0.0090817,0.00748552]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.88
S298 (cal/mol*K) = -34.20
G298 (kcal/mol) = 11.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(700); C5H6(62), C7H10(700); C2H4(115)+C5H6(62)(+M)=>C7H10(700)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.412e+00 -1.410e+00 -1.072e-01 1.146e-02 / CHEB/ 8.036e+00 1.077e+00 -1.394e-01 -6.806e-02 / CHEB/ 1.104e+00 3.033e-01 9.762e-02 -1.696e-02 / CHEB/ 1.300e-01 -4.565e-02 6.096e-02 1.147e-02 / CHEB/ 2.856e-03 -6.985e-02 1.209e-02 1.817e-02 / CHEB/ -1.549e-02 -2.403e-02 -9.082e-03 7.486e-03 /

4856.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-7.5	-4.4	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-7.8	-4.5	-2.8

Chebyshev(coeffs=[[-7.79678,-1.28758,-0.154718,0.00336206],[9.80133,1.01326,-0.0736249,-0.0631106],[1.04185,0.258017,0.1023,-0.0126874],[0.161664,-0.0629822,0.0524672,0.0169483],[0.000149966,-0.0613403,0.00439728,0.0179058],[-0.0280459,-0.0123105,-0.0105206,0.0045509]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.74
S298 (cal/mol*K) = -33.82
G298 (kcal/mol) = 19.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(701); C5H6(62), C7H10(701); C2H4(115)+C5H6(62)(+M)=>C7H10(701)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.797e+00 -1.288e+00 -1.547e-01 3.362e-03 / CHEB/ 9.801e+00 1.013e+00 -7.362e-02 -6.311e-02 / CHEB/ 1.042e+00 2.580e-01 1.023e-01 -1.269e-02 / CHEB/ 1.617e-01 -6.298e-02 5.247e-02 1.695e-02 / CHEB/ 1.500e-04 -6.134e-02 4.397e-03 1.791e-02 / CHEB/ -2.805e-02 -1.231e-02 -1.052e-02 4.551e-03 /

4857.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-4.5	-2.1	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-5.0	-2.3	-0.9

Chebyshev(coeffs=[[-3.01375,-1.48555,-0.0807705,0.0219906],[6.89168,1.0998,-0.174154,-0.0782112],[1.11235,0.335582,0.0897062,-0.0174686],[0.105918,-0.0254912,0.0640194,0.00800461],[0.0026681,-0.070847,0.0176465,0.0166836],[-0.00680096,-0.0327758,-0.00674259,0.00903501]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.88
S298 (cal/mol*K) = -34.20
G298 (kcal/mol) = 11.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(702); C5H6(62), C7H10(702); C2H4(115)+C5H6(62)(+M)=>C7H10(702)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.014e+00 -1.486e+00 -8.077e-02 2.199e-02 / CHEB/ 6.892e+00 1.100e+00 -1.742e-01 -7.821e-02 / CHEB/ 1.112e+00 3.356e-01 8.971e-02 -1.747e-02 / CHEB/ 1.059e-01 -2.549e-02 6.402e-02 8.005e-03 / CHEB/ 2.668e-03 -7.085e-02 1.765e-02 1.668e-02 / CHEB/ -6.801e-03 -3.278e-02 -6.743e-03 9.035e-03 /

4858.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.0	-7.4	-4.3	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-7.7	-4.4	-2.8

Chebyshev(coeffs=[[-7.66672,-1.28758,-0.154718,0.00336206],[9.73458,1.01326,-0.0736249,-0.0631106],[1.02711,0.258017,0.1023,-0.0126874],[0.157324,-0.0629822,0.0524672,0.0169483],[-0.00128688,-0.0613403,0.00439728,0.0179058],[-0.0285521,-0.0123105,-0.0105206,0.0045509]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.74
S298 (cal/mol*K) = -33.82
G298 (kcal/mol) = 19.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(703); C5H6(62), C7H10(703); C2H4(115)+C5H6(62)(+M)=>C7H10(703)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.667e+00 -1.288e+00 -1.547e-01 3.362e-03 / CHEB/ 9.735e+00 1.013e+00 -7.362e-02 -6.311e-02 / CHEB/ 1.027e+00 2.580e-01 1.023e-01 -1.269e-02 / CHEB/ 1.573e-01 -6.298e-02 5.247e-02 1.695e-02 / CHEB/ -1.287e-03 -6.134e-02 4.397e-03 1.791e-02 / CHEB/ -2.855e-02 -1.231e-02 -1.052e-02 4.551e-03 /

4859.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-4.8	-2.4	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-5.2	-2.5	-1.2

Chebyshev(coeffs=[[-3.18444,-1.48555,-0.0807705,0.0219906],[6.82493,1.0998,-0.174154,-0.0782112],[1.09761,0.335582,0.0897062,-0.0174686],[0.101579,-0.0254912,0.0640194,0.00800461],[0.00123126,-0.070847,0.0176465,0.0166836],[-0.00730716,-0.0327758,-0.00674259,0.00903501]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.88
S298 (cal/mol*K) = -34.20
G298 (kcal/mol) = 11.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(704); C5H6(62), C7H10(704); C2H4(115)+C5H6(62)(+M)=>C7H10(704)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.184e+00 -1.486e+00 -8.077e-02 2.199e-02 / CHEB/ 6.825e+00 1.100e+00 -1.742e-01 -7.821e-02 / CHEB/ 1.098e+00 3.356e-01 8.971e-02 -1.747e-02 / CHEB/ 1.016e-01 -2.549e-02 6.402e-02 8.005e-03 / CHEB/ 1.231e-03 -7.085e-02 1.765e-02 1.668e-02 / CHEB/ -7.307e-03 -3.278e-02 -6.743e-03 9.035e-03 /

4860.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-2.3	+0.2	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-2.7	-0.0	+1.4

Chebyshev(coeffs=[[-0.78758,-1.48465,-0.0810536,0.0218501],[6.93809,1.09964,-0.173793,-0.0780825],[1.11985,0.335164,0.0898403,-0.0174505],[0.108297,-0.0257827,0.0639925,0.00803798],[0.00339733,-0.0708657,0.0175787,0.0167089],[-0.00665863,-0.0326664,-0.0067786,0.00902068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.90
S298 (cal/mol*K) = -29.63
G298 (kcal/mol) = 9.73

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(705); C5H6(62), C7H10(705); C2H4(115)+C5H6(62)(+M)=>C7H10(705)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.876e-01 -1.485e+00 -8.105e-02 2.185e-02 / CHEB/ 6.938e+00 1.100e+00 -1.738e-01 -7.808e-02 / CHEB/ 1.120e+00 3.352e-01 8.984e-02 -1.745e-02 / CHEB/ 1.083e-01 -2.578e-02 6.399e-02 8.038e-03 / CHEB/ 3.397e-03 -7.087e-02 1.758e-02 1.671e-02 / CHEB/ -6.659e-03 -3.267e-02 -6.779e-03 9.021e-03 /

4861.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-1.5	+1.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-1.8	+1.8	+3.7

Chebyshev(coeffs=[[-2.74617,-1.1742,-0.195764,-0.000203875],[11.2608,0.941563,-0.0130804,-0.0643238],[0.978913,0.220561,0.103282,-0.00460089],[0.191108,-0.0697231,0.0418561,0.0205096],[0.0211436,-0.0504385,-0.00127036,0.0157287],[-0.0448076,-0.0040835,-0.0101433,0.00202821]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.17
S298 (cal/mol*K) = -20.19
G298 (kcal/mol) = 11.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(706); C5H6(62), C7H10(706); C2H4(115)+C5H6(62)(+M)=>C7H10(706)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.746e+00 -1.174e+00 -1.958e-01 -2.039e-04 / CHEB/ 1.126e+01 9.416e-01 -1.308e-02 -6.432e-02 / CHEB/ 9.789e-01 2.206e-01 1.033e-01 -4.601e-03 / CHEB/ 1.911e-01 -6.972e-02 4.186e-02 2.051e-02 / CHEB/ 2.114e-02 -5.044e-02 -1.270e-03 1.573e-02 / CHEB/ -4.481e-02 -4.083e-03 -1.014e-02 2.028e-03 /

4862.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-1.0	+2.2	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-1.3	+2.1	+3.8

Chebyshev(coeffs=[[-1.64522,-1.25243,-0.168434,0.00236239],[10.3188,0.990259,-0.0540202,-0.0635995],[1.02968,0.247172,0.102246,-0.0104549],[0.171141,-0.0656629,0.0496193,0.0181338],[-0.000515553,-0.0579937,0.0025628,0.0173652],[-0.0307574,-0.00958722,-0.0105305,0.00377734]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.36
S298 (cal/mol*K) = -20.63
G298 (kcal/mol) = 7.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(707); C5H6(62), C7H10(707); C2H4(115)+C5H6(62)(+M)=>C7H10(707)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.645e+00 -1.252e+00 -1.684e-01 2.362e-03 / CHEB/ 1.032e+01 9.903e-01 -5.402e-02 -6.360e-02 / CHEB/ 1.030e+00 2.472e-01 1.022e-01 -1.045e-02 / CHEB/ 1.711e-01 -6.566e-02 4.962e-02 1.813e-02 / CHEB/ -5.156e-04 -5.799e-02 2.563e-03 1.737e-02 / CHEB/ -3.076e-02 -9.587e-03 -1.053e-02 3.777e-03 /

4863.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.1	+2.1	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-1.5	+2.0	+3.8

Chebyshev(coeffs=[[-1.83042,-1.23706,-0.172781,0.00174043],[10.4576,0.985074,-0.0467688,-0.0636406],[1.01546,0.240202,0.103543,-0.00918159],[0.188948,-0.0679174,0.0479009,0.0189011],[0.0274024,-0.0573403,0.00156035,0.0171647],[-0.0401144,-0.00803968,-0.010641,0.00332838]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.79
S298 (cal/mol*K) = -21.63
G298 (kcal/mol) = 8.23

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(708); C5H6(62), C7H10(708); C2H4(115)+C5H6(62)(+M)=>C7H10(708)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.830e+00 -1.237e+00 -1.728e-01 1.740e-03 / CHEB/ 1.046e+01 9.851e-01 -4.677e-02 -6.364e-02 / CHEB/ 1.015e+00 2.402e-01 1.035e-01 -9.182e-03 / CHEB/ 1.889e-01 -6.792e-02 4.790e-02 1.890e-02 / CHEB/ 2.740e-02 -5.734e-02 1.560e-03 1.716e-02 / CHEB/ -4.011e-02 -8.040e-03 -1.064e-02 3.328e-03 /

4864.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-10.5	-7.2	-5.6
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-10.8	-7.3	-5.6

Chebyshev(coeffs=[[-12.3306,-1.0537,-0.237243,-0.00645179],[11.948,0.842716,0.0487506,-0.061898],[0.713737,0.190487,0.0986696,0.00361693],[0.11798,-0.0655798,0.0302868,0.0217221],[-0.0311302,-0.0365959,-0.00448832,0.0123597],[-0.0504594,-6.36467e-05,-0.00808917,0.000226479]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.09
S298 (cal/mol*K) = -46.44
G298 (kcal/mol) = 9.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(709); C5H6(62), C7H10(709); C2H4(115)+C5H6(62)(+M)=>C7H10(709)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.233e+01 -1.054e+00 -2.372e-01 -6.452e-03 / CHEB/ 1.195e+01 8.427e-01 4.875e-02 -6.190e-02 / CHEB/ 7.137e-01 1.905e-01 9.867e-02 3.617e-03 / CHEB/ 1.180e-01 -6.558e-02 3.029e-02 2.172e-02 / CHEB/ -3.113e-02 -3.660e-02 -4.488e-03 1.236e-02 / CHEB/ -5.046e-02 -6.365e-05 -8.089e-03 2.265e-04 /

4865.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-3.8	-1.5	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-4.2	-1.7	-0.4

Chebyshev(coeffs=[[-2.01842,-1.52262,-0.0833617,0.0277724],[6.48704,1.12221,-0.172198,-0.0821387],[1.02703,0.357157,0.0922135,-0.0198895],[0.0821266,-0.0202478,0.0647114,0.00807615],[0.000803677,-0.0748871,0.0165141,0.0172249],[-0.00274182,-0.0380544,-0.00764877,0.00934484]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.50
S298 (cal/mol*K) = -42.84
G298 (kcal/mol) = 15.26

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(710); C5H6(62), C7H10(710); C2H4(115)+C5H6(62)(+M)=>C7H10(710)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.018e+00 -1.523e+00 -8.336e-02 2.777e-02 / CHEB/ 6.487e+00 1.122e+00 -1.722e-01 -8.214e-02 / CHEB/ 1.027e+00 3.572e-01 9.221e-02 -1.989e-02 / CHEB/ 8.213e-02 -2.025e-02 6.471e-02 8.076e-03 / CHEB/ 8.037e-04 -7.489e-02 1.651e-02 1.722e-02 / CHEB/ -2.742e-03 -3.805e-02 -7.649e-03 9.345e-03 /

4904.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+3.7	+4.7	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+3.1	+4.4	+4.9

Chebyshev(coeffs=[[7.25312,-1.79185,-0.132272,0.0116468],[3.31809,1.20583,-0.136073,-0.0639248],[0.462196,0.372091,0.0479295,-0.0159805],[-0.0532147,0.037384,0.0532969,7.99808e-05],[-0.0520312,-0.0308837,0.0322121,0.00852407],[-0.0123861,-0.036664,0.00584338,0.00785044]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.46
S298 (cal/mol*K) = -12.30
G298 (kcal/mol) = -30.80

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H7(765); C2H4(115), CH3(423); C2H4(115)+C5H6(62)(+M)=>CH3(423)+C6H7(765)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.253e+00 -1.792e+00 -1.323e-01 1.165e-02 / CHEB/ 3.318e+00 1.206e+00 -1.361e-01 -6.392e-02 / CHEB/ 4.622e-01 3.721e-01 4.793e-02 -1.598e-02 / CHEB/ -5.321e-02 3.738e-02 5.330e-02 7.998e-05 / CHEB/ -5.203e-02 -3.088e-02 3.221e-02 8.524e-03 / CHEB/ -1.239e-02 -3.666e-02 5.843e-03 7.850e-03 /

4905.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+0.8	+2.2	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+0.2	+2.0	+2.7

Chebyshev(coeffs=[[3.79817,-1.78043,-0.141541,0.00555491],[4.3249,1.22096,-0.128544,-0.0607732],[0.672912,0.360513,0.051844,-0.0141334],[-0.00593232,0.028346,0.0555091,0.000709307],[-0.0383855,-0.0333113,0.0328316,0.00954874],[-0.0085982,-0.0345913,0.00529783,0.00842841]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.70
S298 (cal/mol*K) = -22.31
G298 (kcal/mol) = -19.06

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(766); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(766)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.798e+00 -1.780e+00 -1.415e-01 5.555e-03 / CHEB/ 4.325e+00 1.221e+00 -1.285e-01 -6.077e-02 / CHEB/ 6.729e-01 3.605e-01 5.184e-02 -1.413e-02 / CHEB/ -5.932e-03 2.835e-02 5.551e-02 7.093e-04 / CHEB/ -3.839e-02 -3.331e-02 3.283e-02 9.549e-03 / CHEB/ -8.598e-03 -3.459e-02 5.298e-03 8.428e-03 /

4906.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+0.2	+1.7	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-5.0	-0.4	+1.4	+2.3

Chebyshev(coeffs=[[3.10877,-1.75157,-0.13262,0.00812017],[4.45616,1.21977,-0.131505,-0.0626564],[0.724528,0.357473,0.0540062,-0.0142485],[0.0122516,0.0220252,0.055859,0.000770045],[-0.0324263,-0.038823,0.0313328,0.0096322],[-0.00812195,-0.0366327,0.00381467,0.00852184]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.17
S298 (cal/mol*K) = -23.13
G298 (kcal/mol) = -17.28

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(767); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(767)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.109e+00 -1.752e+00 -1.326e-01 8.120e-03 / CHEB/ 4.456e+00 1.220e+00 -1.315e-01 -6.266e-02 / CHEB/ 7.245e-01 3.575e-01 5.401e-02 -1.425e-02 / CHEB/ 1.225e-02 2.203e-02 5.586e-02 7.700e-04 / CHEB/ -3.243e-02 -3.882e-02 3.133e-02 9.632e-03 / CHEB/ -8.122e-03 -3.663e-02 3.815e-03 8.522e-03 /

4907.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-2.6	-0.3	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-3.1	-0.5	+0.8

Chebyshev(coeffs=[[-0.993928,-1.56474,-0.142015,-0.0081226],[6.66676,1.20669,-0.106582,-0.0490461],[1.04634,0.28866,0.0804777,-0.0114221],[0.0800162,-0.0309052,0.0606543,0.0045532],[-0.0165963,-0.0570827,0.0219515,0.0157161],[-0.0186889,-0.0258601,-0.00526123,0.00898268]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.46
S298 (cal/mol*K) = -20.90
G298 (kcal/mol) = 7.68

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(263); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(263)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.939e-01 -1.565e+00 -1.420e-01 -8.123e-03 / CHEB/ 6.667e+00 1.207e+00 -1.066e-01 -4.905e-02 / CHEB/ 1.046e+00 2.887e-01 8.048e-02 -1.142e-02 / CHEB/ 8.002e-02 -3.091e-02 6.065e-02 4.553e-03 / CHEB/ -1.660e-02 -5.708e-02 2.195e-02 1.572e-02 / CHEB/ -1.869e-02 -2.586e-02 -5.261e-03 8.983e-03 /

4908.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-5.4	-2.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-5.8	-3.1	-1.8

Chebyshev(coeffs=[[-4.41214,-1.4792,-0.153379,-0.0142437],[7.61705,1.15307,-0.0903263,-0.0416061],[1.00266,0.27205,0.0879825,-0.0138677],[0.0800189,-0.0437476,0.0589881,0.00776043],[-0.0185849,-0.0564062,0.0170617,0.0173046],[-0.0234942,-0.019844,-0.0073756,0.00778011]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.36
S298 (cal/mol*K) = -22.81
G298 (kcal/mol) = 16.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(768); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(768)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.412e+00 -1.479e+00 -1.534e-01 -1.424e-02 / CHEB/ 7.617e+00 1.153e+00 -9.033e-02 -4.161e-02 / CHEB/ 1.003e+00 2.720e-01 8.798e-02 -1.387e-02 / CHEB/ 8.002e-02 -4.375e-02 5.899e-02 7.760e-03 / CHEB/ -1.858e-02 -5.641e-02 1.706e-02 1.730e-02 / CHEB/ -2.349e-02 -1.984e-02 -7.376e-03 7.780e-03 /

4909.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-5.4	-2.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-5.8	-3.1	-1.8

H298 (kcal/mol) = 9.36
S298 (cal/mol*K) = -22.81
G298 (kcal/mol) = 16.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(769); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(769)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.412e+00 -1.479e+00 -1.534e-01 -1.424e-02 / CHEB/ 7.617e+00 1.153e+00 -9.033e-02 -4.161e-02 / CHEB/ 1.003e+00 2.720e-01 8.798e-02 -1.387e-02 / CHEB/ 8.002e-02 -4.375e-02 5.899e-02 7.760e-03 / CHEB/ -1.858e-02 -5.641e-02 1.706e-02 1.730e-02 / CHEB/ -2.349e-02 -1.984e-02 -7.376e-03 7.780e-03 /

4910.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-3.0	-0.8	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-3.5	-1.0	+0.2

Chebyshev(coeffs=[[-1.31412,-1.58415,-0.141065,-0.00675338],[6.50289,1.20813,-0.110066,-0.0504458],[1.00847,0.295162,0.0775137,-0.0115842],[0.0612965,-0.0251712,0.0604503,0.00372632],[-0.0183908,-0.055603,0.0232784,0.015058],[-0.0163081,-0.0273328,-0.00433101,0.00917021]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.16
S298 (cal/mol*K) = -23.91
G298 (kcal/mol) = 7.28

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(770); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(770)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.314e+00 -1.584e+00 -1.411e-01 -6.753e-03 / CHEB/ 6.503e+00 1.208e+00 -1.101e-01 -5.045e-02 / CHEB/ 1.008e+00 2.952e-01 7.751e-02 -1.158e-02 / CHEB/ 6.130e-02 -2.517e-02 6.045e-02 3.726e-03 / CHEB/ -1.839e-02 -5.560e-02 2.328e-02 1.506e-02 / CHEB/ -1.631e-02 -2.733e-02 -4.331e-03 9.170e-03 /

4911.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-3.0	-0.8	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-3.5	-1.0	+0.2

H298 (kcal/mol) = 0.16
S298 (cal/mol*K) = -23.91
G298 (kcal/mol) = 7.28

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(771); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(771)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.314e+00 -1.584e+00 -1.411e-01 -6.753e-03 / CHEB/ 6.503e+00 1.208e+00 -1.101e-01 -5.045e-02 / CHEB/ 1.008e+00 2.952e-01 7.751e-02 -1.158e-02 / CHEB/ 6.130e-02 -2.517e-02 6.045e-02 3.726e-03 / CHEB/ -1.839e-02 -5.560e-02 2.328e-02 1.506e-02 / CHEB/ -1.631e-02 -2.733e-02 -4.331e-03 9.170e-03 /

4912.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	-1.2	-0.2	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-1.9	-0.5	+0.0

Chebyshev(coeffs=[[2.22171,-1.83029,-0.132623,0.0148488],[3.45388,1.18697,-0.140357,-0.0644758],[0.466166,0.383295,0.0422852,-0.0176478],[-0.0438038,0.0523482,0.0505079,-0.000632448],[-0.0467493,-0.0218202,0.0325193,0.00761526],[-0.00839168,-0.0350846,0.00748703,0.00714599]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.63
S298 (cal/mol*K) = -48.67
G298 (kcal/mol) = -34.13

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(772); C5H6(62), C7H10(772); C2H4(115)+C5H6(62)(+M)=>C7H10(772)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.222e+00 -1.830e+00 -1.326e-01 1.485e-02 / CHEB/ 3.454e+00 1.187e+00 -1.404e-01 -6.448e-02 / CHEB/ 4.662e-01 3.833e-01 4.229e-02 -1.765e-02 / CHEB/ -4.380e-02 5.235e-02 5.051e-02 -6.324e-04 / CHEB/ -4.675e-02 -2.182e-02 3.252e-02 7.615e-03 / CHEB/ -8.392e-03 -3.508e-02 7.487e-03 7.146e-03 /

4913.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	-1.5	-0.4	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-2.2	-0.8	-0.2

Chebyshev(coeffs=[[1.82254,-1.8472,-0.144548,0.00957945],[3.61811,1.19657,-0.133557,-0.0611611],[0.482362,0.379371,0.0425306,-0.0166378],[-0.0473972,0.0521929,0.0512848,-0.000323823],[-0.0488971,-0.0190957,0.0339214,0.00812387],[-0.00893826,-0.0325205,0.00828412,0.007387]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -46.68
S298 (cal/mol*K) = -48.10
G298 (kcal/mol) = -32.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(617); C5H6(62), C7H10(617); C2H4(115)+C5H6(62)(+M)=>C7H10(617)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.823e+00 -1.847e+00 -1.445e-01 9.579e-03 / CHEB/ 3.618e+00 1.197e+00 -1.336e-01 -6.116e-02 / CHEB/ 4.824e-01 3.794e-01 4.253e-02 -1.664e-02 / CHEB/ -4.740e-02 5.219e-02 5.128e-02 -3.238e-04 / CHEB/ -4.890e-02 -1.910e-02 3.392e-02 8.124e-03 / CHEB/ -8.938e-03 -3.252e-02 8.284e-03 7.387e-03 /

4914.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-1.2	+0.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-1.8	+0.2	+1.1

Chebyshev(coeffs=[[1.43475,-1.71962,-0.133299,0.00529677],[4.87277,1.22629,-0.127819,-0.0611457],[0.811697,0.344759,0.058825,-0.013047],[0.0277894,0.0107326,0.0575183,0.00124933],[-0.0283444,-0.0439313,0.0302436,0.0105988],[-0.00896381,-0.0357081,0.0020981,0.00895247]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.68
S298 (cal/mol*K) = -42.48
G298 (kcal/mol) = -10.02

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(773); C5H6(62), C7H10(773); C2H4(115)+C5H6(62)(+M)=>C7H10(773)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.435e+00 -1.720e+00 -1.333e-01 5.297e-03 / CHEB/ 4.873e+00 1.226e+00 -1.278e-01 -6.115e-02 / CHEB/ 8.117e-01 3.448e-01 5.882e-02 -1.305e-02 / CHEB/ 2.779e-02 1.073e-02 5.752e-02 1.249e-03 / CHEB/ -2.834e-02 -4.393e-02 3.024e-02 1.060e-02 / CHEB/ -8.964e-03 -3.571e-02 2.098e-03 8.952e-03 /

4915.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	-1.2	+0.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-1.8	+0.2	+1.0

Chebyshev(coeffs=[[1.49762,-1.71703,-0.133371,0.00506662],[4.77549,1.22664,-0.127516,-0.0610038],[0.789263,0.343706,0.0592135,-0.0129596],[0.0203695,0.00986109,0.0576371,0.00128639],[-0.0308617,-0.0443008,0.0301419,0.0106804],[-0.0100432,-0.0356052,0.0019581,0.00898236]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.43
S298 (cal/mol*K) = -42.02
G298 (kcal/mol) = -9.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(715); C5H6(62), C7H10(715); C2H4(115)+C5H6(62)(+M)=>C7H10(715)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.498e+00 -1.717e+00 -1.334e-01 5.067e-03 / CHEB/ 4.775e+00 1.227e+00 -1.275e-01 -6.100e-02 / CHEB/ 7.893e-01 3.437e-01 5.921e-02 -1.296e-02 / CHEB/ 2.037e-02 9.861e-03 5.764e-02 1.286e-03 / CHEB/ -3.086e-02 -4.430e-02 3.014e-02 1.068e-02 / CHEB/ -1.004e-02 -3.561e-02 1.958e-03 8.982e-03 /

4916.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-3.5	-2.0	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-4.1	-2.3	-1.5

Chebyshev(coeffs=[[-0.505484,-1.75452,-0.132047,0.00854981],[4.34819,1.22244,-0.131242,-0.062983],[0.715604,0.360235,0.0539198,-0.0143267],[0.0179439,0.0228722,0.0559306,0.000896198],[-0.0309697,-0.03902,0.0314835,0.00961984],[0.00205756,-0.037349,0.0038983,0.00851351]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.03
S298 (cal/mol*K) = -48.82
G298 (kcal/mol) = -29.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(774); C5H6(62), C7H10(774); C2H4(115)+C5H6(62)(+M)=>C7H10(774)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.055e-01 -1.755e+00 -1.320e-01 8.550e-03 / CHEB/ 4.348e+00 1.222e+00 -1.312e-01 -6.298e-02 / CHEB/ 7.156e-01 3.602e-01 5.392e-02 -1.433e-02 / CHEB/ 1.794e-02 2.287e-02 5.593e-02 8.962e-04 / CHEB/ -3.097e-02 -3.902e-02 3.148e-02 9.620e-03 / CHEB/ 2.058e-03 -3.735e-02 3.898e-03 8.514e-03 /

4917.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	-1.1	-0.0	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-5.5	-1.8	-0.4	+0.3

Chebyshev(coeffs=[[2.31783,-1.83109,-0.131873,0.0152047],[3.53535,1.1892,-0.139786,-0.0646103],[0.493797,0.385808,0.0424676,-0.0177681],[-0.0311352,0.0533401,0.0505937,-0.000576065],[-0.041646,-0.0219044,0.0325687,0.00764132],[-0.00703158,-0.0355816,0.00750575,0.0071363]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.48
S298 (cal/mol*K) = -56.23
G298 (kcal/mol) = -44.72

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(616); C5H6(62), C7H10(616); C2H4(115)+C5H6(62)(+M)=>C7H10(616)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.318e+00 -1.831e+00 -1.319e-01 1.520e-02 / CHEB/ 3.535e+00 1.189e+00 -1.398e-01 -6.461e-02 / CHEB/ 4.938e-01 3.858e-01 4.247e-02 -1.777e-02 / CHEB/ -3.114e-02 5.334e-02 5.059e-02 -5.761e-04 / CHEB/ -4.165e-02 -2.190e-02 3.257e-02 7.641e-03 / CHEB/ -7.032e-03 -3.558e-02 7.506e-03 7.136e-03 /

4918.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-3.2	-1.2	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-3.7	-1.4	-0.3

Chebyshev(coeffs=[[-1.04811,-1.64369,-0.135935,-0.00129383],[5.75605,1.22967,-0.118009,-0.0561648],[0.956509,0.315224,0.0702263,-0.0111242],[0.062533,-0.013014,0.060224,0.00262699],[-0.00757071,-0.0534722,0.0266712,0.0132242],[-0.0164012,-0.0316217,-0.00195706,0.00942688]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.68
S298 (cal/mol*K) = -42.48
G298 (kcal/mol) = -10.02

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(775); C5H6(62), C7H10(775); C2H4(115)+C5H6(62)(+M)=>C7H10(775)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.048e+00 -1.644e+00 -1.359e-01 -1.294e-03 / CHEB/ 5.756e+00 1.230e+00 -1.180e-01 -5.616e-02 / CHEB/ 9.565e-01 3.152e-01 7.023e-02 -1.112e-02 / CHEB/ 6.253e-02 -1.301e-02 6.022e-02 2.627e-03 / CHEB/ -7.571e-03 -5.347e-02 2.667e-02 1.322e-02 / CHEB/ -1.640e-02 -3.162e-02 -1.957e-03 9.427e-03 /

4919.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-3.4	-1.4	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-3.9	-1.6	-0.5

Chebyshev(coeffs=[[-1.1734,-1.64437,-0.13612,-0.00126569],[5.65142,1.22917,-0.118356,-0.0562519],[0.990595,0.314513,0.0700925,-0.0111426],[0.07923,-0.0129971,0.06016,0.00258012],[-0.0310438,-0.0528104,0.0266167,0.0131449],[-0.00863455,-0.0316506,-0.00188426,0.00944371]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.43
S298 (cal/mol*K) = -42.02
G298 (kcal/mol) = -9.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(776); C5H6(62), C7H10(776); C2H4(115)+C5H6(62)(+M)=>C7H10(776)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.173e+00 -1.644e+00 -1.361e-01 -1.266e-03 / CHEB/ 5.651e+00 1.229e+00 -1.184e-01 -5.625e-02 / CHEB/ 9.906e-01 3.145e-01 7.009e-02 -1.114e-02 / CHEB/ 7.923e-02 -1.300e-02 6.016e-02 2.580e-03 / CHEB/ -3.104e-02 -5.281e-02 2.662e-02 1.314e-02 / CHEB/ -8.635e-03 -3.165e-02 -1.884e-03 9.444e-03 /

4920.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-2.9	-1.5	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-3.6	-1.8	-1.0

Chebyshev(coeffs=[[0.0059566,-1.75858,-0.132522,0.00873653],[4.36777,1.21779,-0.132306,-0.0629285],[0.704408,0.360161,0.0529455,-0.0145371],[0.00850178,0.0246249,0.0554488,0.000657496],[-0.0333604,-0.0375616,0.0315279,0.00943035],[-0.00797004,-0.0367389,0.0041835,0.00841384]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.58
S298 (cal/mol*K) = -40.57
G298 (kcal/mol) = -18.49

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(366); C5H6(62), C7H10(366); C2H4(115)+C5H6(62)(+M)=>C7H10(366)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.957e-03 -1.759e+00 -1.325e-01 8.737e-03 / CHEB/ 4.368e+00 1.218e+00 -1.323e-01 -6.293e-02 / CHEB/ 7.044e-01 3.602e-01 5.295e-02 -1.454e-02 / CHEB/ 8.502e-03 2.462e-02 5.545e-02 6.575e-04 / CHEB/ -3.336e-02 -3.756e-02 3.153e-02 9.430e-03 / CHEB/ -7.970e-03 -3.674e-02 4.184e-03 8.414e-03 /

4921.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	-1.4	-0.6	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-2.1	-0.9	-0.5

Chebyshev(coeffs=[[2.06324,-1.89159,-0.163378,0.00275427],[3.26422,1.18837,-0.13163,-0.0579178],[0.353353,0.370733,0.0371241,-0.0168687],[-0.101966,0.0550728,0.0502226,6.14261e-05],[-0.072705,-0.0115441,0.0362077,0.00905671],[-0.0188413,-0.0266074,0.0108156,0.00794281]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.03
S298 (cal/mol*K) = -47.52
G298 (kcal/mol) = -33.87

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(777); C5H6(62), C7H10(777); C2H4(115)+C5H6(62)(+M)=>C7H10(777)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.063e+00 -1.892e+00 -1.634e-01 2.754e-03 / CHEB/ 3.264e+00 1.188e+00 -1.316e-01 -5.792e-02 / CHEB/ 3.534e-01 3.707e-01 3.712e-02 -1.687e-02 / CHEB/ -1.020e-01 5.507e-02 5.022e-02 6.143e-05 / CHEB/ -7.271e-02 -1.154e-02 3.621e-02 9.057e-03 / CHEB/ -1.884e-02 -2.661e-02 1.082e-02 7.943e-03 /

4922.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-3.7	-2.4	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-4.3	-2.7	-2.0

Chebyshev(coeffs=[[-0.474367,-1.7943,-0.132021,0.0119385],[3.95315,1.20636,-0.136067,-0.0640677],[0.602137,0.373819,0.0476999,-0.0160973],[0.00378816,0.0381026,0.0532396,0.000130365],[-0.0200404,-0.0309362,0.0323211,0.00852745],[-0.0112785,-0.0367594,0.00595924,0.0078042]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.13
S298 (cal/mol*K) = -50.73
G298 (kcal/mol) = -21.01

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(778); C5H6(62), C7H10(778); C2H4(115)+C5H6(62)(+M)=>C7H10(778)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.744e-01 -1.794e+00 -1.320e-01 1.194e-02 / CHEB/ 3.953e+00 1.206e+00 -1.361e-01 -6.407e-02 / CHEB/ 6.021e-01 3.738e-01 4.770e-02 -1.610e-02 / CHEB/ 3.788e-03 3.810e-02 5.324e-02 1.304e-04 / CHEB/ -2.004e-02 -3.094e-02 3.232e-02 8.527e-03 / CHEB/ -1.128e-02 -3.676e-02 5.959e-03 7.804e-03 /

4923.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-3.8	-2.5	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-4.4	-2.8	-2.1

Chebyshev(coeffs=[[-0.535378,-1.79262,-0.131871,0.0118291],[3.91945,1.20788,-0.13567,-0.0640681],[0.572971,0.374129,0.0480649,-0.0160526],[-0.0111953,0.0378646,0.0534188,0.000168457],[-0.0190613,-0.0314229,0.0323148,0.0085915],[0.00166674,-0.0373046,0.00585427,0.00786972]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.88
S298 (cal/mol*K) = -50.73
G298 (kcal/mol) = -20.76

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(622); C5H6(62), C7H10(622); C2H4(115)+C5H6(62)(+M)=>C7H10(622)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.354e-01 -1.793e+00 -1.319e-01 1.183e-02 / CHEB/ 3.919e+00 1.208e+00 -1.357e-01 -6.407e-02 / CHEB/ 5.730e-01 3.741e-01 4.806e-02 -1.605e-02 / CHEB/ -1.120e-02 3.786e-02 5.342e-02 1.685e-04 / CHEB/ -1.906e-02 -3.142e-02 3.231e-02 8.591e-03 / CHEB/ 1.667e-03 -3.730e-02 5.854e-03 7.870e-03 /

4924.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	-2.8	-1.5	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-3.4	-1.7	-1.0

Chebyshev(coeffs=[[0.205334,-1.75643,-0.13255,0.00854699],[4.19819,1.21842,-0.13206,-0.0628471],[0.667208,0.359339,0.0532718,-0.0144475],[-0.00311487,0.0238209,0.0555767,0.000692458],[-0.0373033,-0.0379553,0.0314696,0.00949206],[-0.00950713,-0.0367103,0.00407052,0.00844752]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.33
S298 (cal/mol*K) = -40.11
G298 (kcal/mol) = -18.38

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(463); C5H6(62), C7H10(463); C2H4(115)+C5H6(62)(+M)=>C7H10(463)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.053e-01 -1.756e+00 -1.326e-01 8.547e-03 / CHEB/ 4.198e+00 1.218e+00 -1.321e-01 -6.285e-02 / CHEB/ 6.672e-01 3.593e-01 5.327e-02 -1.445e-02 / CHEB/ -3.115e-03 2.382e-02 5.558e-02 6.925e-04 / CHEB/ -3.730e-02 -3.796e-02 3.147e-02 9.492e-03 / CHEB/ -9.507e-03 -3.671e-02 4.071e-03 8.448e-03 /

4925.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-3.9	-2.9	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-4.6	-3.2	-2.6

Chebyshev(coeffs=[[-0.932325,-1.82795,-0.157671,-0.000516062],[4.01532,1.23128,-0.119373,-0.0565599],[0.465071,0.379206,0.0547826,-0.0117466],[-0.116705,0.0462342,0.0580106,0.00182369],[-0.0506269,-0.027238,0.0334943,0.00887028],[0.0332386,-0.0373698,0.00573016,0.00797985]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.13
S298 (cal/mol*K) = -50.73
G298 (kcal/mol) = -21.01

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(619); C5H6(62), C7H10(619); C2H4(115)+C5H6(62)(+M)=>C7H10(619)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.323e-01 -1.828e+00 -1.577e-01 -5.161e-04 / CHEB/ 4.015e+00 1.231e+00 -1.194e-01 -5.656e-02 / CHEB/ 4.651e-01 3.792e-01 5.478e-02 -1.175e-02 / CHEB/ -1.167e-01 4.623e-02 5.801e-02 1.824e-03 / CHEB/ -5.063e-02 -2.724e-02 3.349e-02 8.870e-03 / CHEB/ 3.324e-02 -3.737e-02 5.730e-03 7.980e-03 /

4926.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-4.4	-3.0	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-5.1	-3.3	-2.5

Chebyshev(coeffs=[[-1.25247,-1.77941,-0.13211,0.0106458],[4.04243,1.21267,-0.134456,-0.0637521],[0.682952,0.368252,0.0499494,-0.0153959],[0.0278183,0.0319669,0.0542634,0.000420508],[-0.0413395,-0.0339666,0.0320467,0.00888837],[-0.00409392,-0.0369418,0.00523101,0.00807675]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.13
S298 (cal/mol*K) = -52.10
G298 (kcal/mol) = -20.60

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(779); C5H6(62), C7H10(779); C2H4(115)+C5H6(62)(+M)=>C7H10(779)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.252e+00 -1.779e+00 -1.321e-01 1.065e-02 / CHEB/ 4.042e+00 1.213e+00 -1.345e-01 -6.375e-02 / CHEB/ 6.830e-01 3.683e-01 4.995e-02 -1.540e-02 / CHEB/ 2.782e-02 3.197e-02 5.426e-02 4.205e-04 / CHEB/ -4.134e-02 -3.397e-02 3.205e-02 8.888e-03 / CHEB/ -4.094e-03 -3.694e-02 5.231e-03 8.077e-03 /

4927.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-2.4	-1.2	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-3.0	-1.5	-0.8

Chebyshev(coeffs=[[0.779756,-1.76782,-0.132417,0.00954617],[3.90005,1.2149,-0.133357,-0.0632537],[0.599459,0.363618,0.0515498,-0.0149271],[-0.0195985,0.0281015,0.054885,0.000504578],[-0.0422212,-0.0358233,0.0317586,0.00917041],[-0.0104721,-0.0368177,0.00466091,0.00826542]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.98
S298 (cal/mol*K) = -39.39
G298 (kcal/mol) = -21.24

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(780); C5H6(62), C7H10(780); C2H4(115)+C5H6(62)(+M)=>C7H10(780)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.798e-01 -1.768e+00 -1.324e-01 9.546e-03 / CHEB/ 3.900e+00 1.215e+00 -1.334e-01 -6.325e-02 / CHEB/ 5.995e-01 3.636e-01 5.155e-02 -1.493e-02 / CHEB/ -1.960e-02 2.810e-02 5.489e-02 5.046e-04 / CHEB/ -4.222e-02 -3.582e-02 3.176e-02 9.170e-03 / CHEB/ -1.047e-02 -3.682e-02 4.661e-03 8.265e-03 /

4928.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	-1.3	-0.2	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-5.8	-1.9	-0.5	+0.1

Chebyshev(coeffs=[[2.06473,-1.80089,-0.136697,0.0100215],[3.61235,1.20518,-0.135494,-0.0633257],[0.515431,0.371134,0.0477154,-0.0155876],[-0.0425293,0.0383968,0.0535767,0.00028491],[-0.0497205,-0.0288654,0.032932,0.00870441],[-0.0114522,-0.035075,0.00642928,0.00791516]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.18
S298 (cal/mol*K) = -39.05
G298 (kcal/mol) = -23.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(781); C5H6(62), C7H10(781); C2H4(115)+C5H6(62)(+M)=>C7H10(781)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.065e+00 -1.801e+00 -1.367e-01 1.002e-02 / CHEB/ 3.612e+00 1.205e+00 -1.355e-01 -6.333e-02 / CHEB/ 5.154e-01 3.711e-01 4.772e-02 -1.559e-02 / CHEB/ -4.253e-02 3.840e-02 5.358e-02 2.849e-04 / CHEB/ -4.972e-02 -2.887e-02 3.293e-02 8.704e-03 / CHEB/ -1.145e-02 -3.507e-02 6.429e-03 7.915e-03 /

4929.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	-4.0	-1.8	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-4.4	-1.9	-0.8

Chebyshev(coeffs=[[-2.82612,-1.49726,-0.177386,-0.0246833],[7.22208,1.16879,-0.0673407,-0.0311765],[0.825015,0.264316,0.0860911,-0.0149141],[0.0298533,-0.0416806,0.0594979,0.00841213],[-0.0315593,-0.0509786,0.0184034,0.018028],[-0.0243724,-0.0170127,-0.00663507,0.00769225]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.82
S298 (cal/mol*K) = -14.95
G298 (kcal/mol) = 14.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(610); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>CH2(137)+C6H8(610)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.826e+00 -1.497e+00 -1.774e-01 -2.468e-02 / CHEB/ 7.222e+00 1.169e+00 -6.734e-02 -3.118e-02 / CHEB/ 8.250e-01 2.643e-01 8.609e-02 -1.491e-02 / CHEB/ 2.985e-02 -4.168e-02 5.950e-02 8.412e-03 / CHEB/ -3.156e-02 -5.098e-02 1.840e-02 1.803e-02 / CHEB/ -2.437e-02 -1.701e-02 -6.635e-03 7.692e-03 /

4930.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.2	+2.6	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-0.5	+2.3	+3.0	+2.9

Chebyshev(coeffs=[[6.11694,-0.0958792,-0.203333,-0.00362401],[2.17963,1.08734,-0.128463,-0.0437896],[0.170227,0.348311,0.00627087,-0.025372],[-0.185115,0.0916512,0.0364106,-0.00162165],[-0.189876,0.0287652,0.0344584,0.00935031],[-0.106494,-0.00460735,0.0138753,0.00729461]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -101.17
S298 (cal/mol*K) = -51.22
G298 (kcal/mol) = -85.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(608); C5H6(62), C7H10(608); C2H4(115)+C5H6(62)(+M)=>C7H10(608)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.117e+00 -9.588e-02 -2.033e-01 -3.624e-03 / CHEB/ 2.180e+00 1.087e+00 -1.285e-01 -4.379e-02 / CHEB/ 1.702e-01 3.483e-01 6.271e-03 -2.537e-02 / CHEB/ -1.851e-01 9.165e-02 3.641e-02 -1.622e-03 / CHEB/ -1.899e-01 2.877e-02 3.446e-02 9.350e-03 / CHEB/ -1.065e-01 -4.607e-03 1.388e-02 7.295e-03 /

4931.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-4.3	-1.5	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-4.7	-1.6	-0.1

Chebyshev(coeffs=[[-4.19998,-1.3558,-0.174393,-0.0164271],[9.0299,1.07845,-0.0564981,-0.0406137],[0.982649,0.245562,0.0974852,-0.0125632],[0.101542,-0.0585331,0.0540037,0.0133854],[-0.0309368,-0.0521367,0.00935732,0.0178989],[-0.0220232,-0.0115171,-0.00945731,0.0054341]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.73
S298 (cal/mol*K) = -29.40
G298 (kcal/mol) = 22.49

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(782); C5H6(62), C7H10(782); C2H4(115)+C5H6(62)(+M)=>C7H10(782)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.200e+00 -1.356e+00 -1.744e-01 -1.643e-02 / CHEB/ 9.030e+00 1.078e+00 -5.650e-02 -4.061e-02 / CHEB/ 9.826e-01 2.456e-01 9.749e-02 -1.256e-02 / CHEB/ 1.015e-01 -5.853e-02 5.400e-02 1.339e-02 / CHEB/ -3.094e-02 -5.214e-02 9.357e-03 1.790e-02 / CHEB/ -2.202e-02 -1.152e-02 -9.457e-03 5.434e-03 /

4932.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-2.6	-0.4	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-3.1	-0.6	+0.6

Chebyshev(coeffs=[[-0.934954,-1.58168,-0.140221,-0.00665157],[6.49783,1.21465,-0.109082,-0.0506911],[1.03136,0.293855,0.0785794,-0.0110842],[0.0726837,-0.0275748,0.0607966,0.00407692],[-0.011285,-0.056974,0.0230122,0.0152578],[-0.0190841,-0.0271288,-0.0047125,0.00915112]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.10
S298 (cal/mol*K) = -31.47
G298 (kcal/mol) = 6.28

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(783); C5H6(62), C7H10(783); C2H4(115)+C5H6(62)(+M)=>C7H10(783)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.350e-01 -1.582e+00 -1.402e-01 -6.652e-03 / CHEB/ 6.498e+00 1.215e+00 -1.091e-01 -5.069e-02 / CHEB/ 1.031e+00 2.939e-01 7.858e-02 -1.108e-02 / CHEB/ 7.268e-02 -2.757e-02 6.080e-02 4.077e-03 / CHEB/ -1.128e-02 -5.697e-02 2.301e-02 1.526e-02 / CHEB/ -1.908e-02 -2.713e-02 -4.712e-03 9.151e-03 /

4933.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+2.2	+4.0	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-3.3	+1.7	+3.8	+4.7

Chebyshev(coeffs=[[4.91168,-1.71133,-0.131697,0.00515429],[4.94029,1.23866,-0.124888,-0.0612967],[0.869898,0.345461,0.0612543,-0.0124089],[0.0530975,0.00650262,0.0586579,0.00199098],[-0.0198254,-0.047242,0.0300629,0.0110804],[-0.00722604,-0.0364918,0.00135893,0.00908314]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.59
S298 (cal/mol*K) = -31.93
G298 (kcal/mol) = -15.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(784); C5H6(62), C7H10(784); C2H4(115)+C5H6(62)(+M)=>C7H10(784)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.912e+00 -1.711e+00 -1.317e-01 5.154e-03 / CHEB/ 4.940e+00 1.239e+00 -1.249e-01 -6.130e-02 / CHEB/ 8.699e-01 3.455e-01 6.125e-02 -1.241e-02 / CHEB/ 5.310e-02 6.503e-03 5.866e-02 1.991e-03 / CHEB/ -1.983e-02 -4.724e-02 3.006e-02 1.108e-02 / CHEB/ -7.226e-03 -3.649e-02 1.359e-03 9.083e-03 /

4934.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+2.2	+4.0	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-3.3	+1.7	+3.7	+4.7

Chebyshev(coeffs=[[4.87053,-1.70987,-0.131725,0.00503032],[4.9582,1.23893,-0.124706,-0.06122],[0.8737,0.344853,0.0614827,-0.0123527],[0.0537726,0.00597903,0.0587272,0.00201791],[-0.0196558,-0.0474604,0.0300001,0.0111278],[-0.00728619,-0.0364262,0.00127374,0.00909846]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.34
S298 (cal/mol*K) = -31.93
G298 (kcal/mol) = -14.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(785); C5H6(62), C7H10(785); C2H4(115)+C5H6(62)(+M)=>C7H10(785)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.871e+00 -1.710e+00 -1.317e-01 5.030e-03 / CHEB/ 4.958e+00 1.239e+00 -1.247e-01 -6.122e-02 / CHEB/ 8.737e-01 3.449e-01 6.148e-02 -1.235e-02 / CHEB/ 5.377e-02 5.979e-03 5.873e-02 2.018e-03 / CHEB/ -1.966e-02 -4.746e-02 3.000e-02 1.113e-02 / CHEB/ -7.286e-03 -3.643e-02 1.274e-03 9.098e-03 /

4935.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	+0.3	+2.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.2	-0.3	+1.8	+2.7

Chebyshev(coeffs=[[2.97842,-1.71635,-0.132187,0.00539325],[4.8768,1.23416,-0.126151,-0.0613749],[0.841997,0.346156,0.0600941,-0.0127106],[0.042644,0.00872358,0.0581728,0.0017011],[-0.0234808,-0.0457823,0.03022,0.0108457],[-0.00791601,-0.0363246,0.00173903,0.00901635]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.34
S298 (cal/mol*K) = -31.93
G298 (kcal/mol) = -14.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(786); C5H6(62), C7H10(786); C2H4(115)+C5H6(62)(+M)=>C7H10(786)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.978e+00 -1.716e+00 -1.322e-01 5.393e-03 / CHEB/ 4.877e+00 1.234e+00 -1.262e-01 -6.137e-02 / CHEB/ 8.420e-01 3.462e-01 6.009e-02 -1.271e-02 / CHEB/ 4.264e-02 8.724e-03 5.817e-02 1.701e-03 / CHEB/ -2.348e-02 -4.578e-02 3.022e-02 1.085e-02 / CHEB/ -7.916e-03 -3.632e-02 1.739e-03 9.016e-03 /

4936.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	+0.3	+2.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.2	-0.2	+1.8	+2.7

Chebyshev(coeffs=[[3.01897,-1.7178,-0.132154,0.0055184],[4.85861,1.23391,-0.126323,-0.0614501],[0.837945,0.34677,0.0598722,-0.0127662],[0.0418658,0.00924748,0.0581034,0.00167593],[-0.0235965,-0.0455678,0.0302783,0.0107999],[-0.00771236,-0.0363984,0.00181973,0.00900081]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.59
S298 (cal/mol*K) = -31.93
G298 (kcal/mol) = -15.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(787); C5H6(62), C7H10(787); C2H4(115)+C5H6(62)(+M)=>C7H10(787)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.019e+00 -1.718e+00 -1.322e-01 5.518e-03 / CHEB/ 4.859e+00 1.234e+00 -1.263e-01 -6.145e-02 / CHEB/ 8.379e-01 3.468e-01 5.987e-02 -1.277e-02 / CHEB/ 4.187e-02 9.247e-03 5.810e-02 1.676e-03 / CHEB/ -2.360e-02 -4.557e-02 3.028e-02 1.080e-02 / CHEB/ -7.712e-03 -3.640e-02 1.820e-03 9.001e-03 /

4937.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+1.8	+2.4	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-2.1	+1.0	+2.0	+2.3

Chebyshev(coeffs=[[5.55994,-1.90919,-0.133185,0.0218696],[2.73395,1.1325,-0.148333,-0.0636204],[0.222555,0.396483,0.0313448,-0.0207937],[-0.108111,0.081983,0.0436869,-0.00231807],[-0.0635278,0.000345109,0.0310289,0.00597892],[-0.0113389,-0.0267876,0.0091198,0.00555926]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -94.89
S298 (cal/mol*K) = -53.34
G298 (kcal/mol) = -79.00

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(788); C5H6(62), C7H10(788); C2H4(115)+C5H6(62)(+M)=>C7H10(788)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.560e+00 -1.909e+00 -1.332e-01 2.187e-02 / CHEB/ 2.734e+00 1.132e+00 -1.483e-01 -6.362e-02 / CHEB/ 2.226e-01 3.965e-01 3.134e-02 -2.079e-02 / CHEB/ -1.081e-01 8.198e-02 4.369e-02 -2.318e-03 / CHEB/ -6.353e-02 3.451e-04 3.103e-02 5.979e-03 / CHEB/ -1.134e-02 -2.679e-02 9.120e-03 5.559e-03 /

4956.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+3.1	+3.8	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+2.9	+3.7	+4.2

Chebyshev(coeffs=[[8.11927,-0.416677,-0.247722,-0.101737],[1.4699,0.238877,0.134187,0.0474788],[0.489832,0.0900943,0.053241,0.0216241],[0.12199,0.0565369,0.0330184,0.0130296],[-0.00456664,-0.0034188,0.000922549,0.00309064],[-0.0226895,-0.0174442,-0.00863457,-0.00192695]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.60
S298 (cal/mol*K) = -9.40
G298 (kcal/mol) = -28.80

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(158); C2H4(72), C2H4(115); C5H7(210)+C2H4(72)(+M)=>C2H4(115)+C5H7(158)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.119e+00 -4.167e-01 -2.477e-01 -1.017e-01 / CHEB/ 1.470e+00 2.389e-01 1.342e-01 4.748e-02 / CHEB/ 4.898e-01 9.009e-02 5.324e-02 2.162e-02 / CHEB/ 1.220e-01 5.654e-02 3.302e-02 1.303e-02 / CHEB/ -4.567e-03 -3.419e-03 9.225e-04 3.091e-03 / CHEB/ -2.269e-02 -1.744e-02 -8.635e-03 -1.927e-03 /

4957.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+2.7	+3.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+2.5	+2.9	+3.0

Chebyshev(coeffs=[[8.23635,-0.445726,-0.262844,-0.105986],[0.546317,0.233915,0.130724,0.0455352],[0.203041,0.10531,0.0604428,0.0229252],[0.0694872,0.0675908,0.0382528,0.0140096],[-0.00205031,-0.000944515,0.00244104,0.00374775],[-0.0188125,-0.019117,-0.00897615,-0.00151014]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.88
S298 (cal/mol*K) = -50.56
G298 (kcal/mol) = -48.82

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(789); C2H4(72), C7H11(789); C5H7(210)+C2H4(72)(+M)=>C7H11(789)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.236e+00 -4.457e-01 -2.628e-01 -1.060e-01 / CHEB/ 5.463e-01 2.339e-01 1.307e-01 4.554e-02 / CHEB/ 2.030e-01 1.053e-01 6.044e-02 2.293e-02 / CHEB/ 6.949e-02 6.759e-02 3.825e-02 1.401e-02 / CHEB/ -2.050e-03 -9.445e-04 2.441e-03 3.748e-03 / CHEB/ -1.881e-02 -1.912e-02 -8.976e-03 -1.510e-03 /

4958.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-1.8	+0.8	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-1.9	+0.8	+2.1

Chebyshev(coeffs=[[-1.80379,-0.181591,-0.117967,-0.0580119],[9.33462,0.0778166,0.0492287,0.022974],[0.494603,0.0519369,0.0327305,0.015139],[0.127741,0.0333257,0.0215495,0.0104968],[-0.00569589,-0.00193061,-0.000238084,0.000823832],[-0.0237895,-0.00970116,-0.00572481,-0.00227454]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.56
S298 (cal/mol*K) = -6.18
G298 (kcal/mol) = 27.40

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H5(156); C2H4(72), C3H6(276); C5H7(210)+C2H4(72)(+M)=>C4H5(156)+C3H6(276)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.804e+00 -1.816e-01 -1.180e-01 -5.801e-02 / CHEB/ 9.335e+00 7.782e-02 4.923e-02 2.297e-02 / CHEB/ 4.946e-01 5.194e-02 3.273e-02 1.514e-02 / CHEB/ 1.277e-01 3.333e-02 2.155e-02 1.050e-02 / CHEB/ -5.696e-03 -1.931e-03 -2.381e-04 8.238e-04 / CHEB/ -2.379e-02 -9.701e-03 -5.725e-03 -2.275e-03 /

4959.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-5.0	-1.8	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-5.1	-1.9	-0.1

Chebyshev(coeffs=[[-5.84152,-0.172548,-0.112468,-0.0556496],[10.8389,0.0714709,0.0454126,0.0213762],[0.666514,0.0504037,0.0318758,0.0148477],[0.183394,0.0324684,0.0210498,0.0103045],[0.0144553,-0.00174543,-0.000192354,0.000780463],[-0.0165657,-0.00937383,-0.00556128,-0.00223871]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.42
S298 (cal/mol*K) = -19.60
G298 (kcal/mol) = 35.26

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(169); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.842e+00 -1.725e-01 -1.125e-01 -5.565e-02 / CHEB/ 1.084e+01 7.147e-02 4.541e-02 2.138e-02 / CHEB/ 6.665e-01 5.040e-02 3.188e-02 1.485e-02 / CHEB/ 1.834e-01 3.247e-02 2.105e-02 1.030e-02 / CHEB/ 1.446e-02 -1.745e-03 -1.924e-04 7.805e-04 / CHEB/ -1.657e-02 -9.374e-03 -5.561e-03 -2.239e-03 /

4960.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-2.4	+0.7	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-2.5	+0.7	+2.3

Chebyshev(coeffs=[[-3.77891,-0.154671,-0.101481,-0.0508242],[11.5187,0.0596085,0.0381989,0.0182804],[0.460128,0.0469504,0.0299155,0.0141444],[0.131767,0.0305551,0.0199163,0.00984967],[0.00114874,-0.0013684,-9.15694e-05,0.000701334],[-0.0207811,-0.00866955,-0.00520101,-0.00215038]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.47
S298 (cal/mol*K) = 0.04
G298 (kcal/mol) = 33.46

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(158); C2H4(72), C2H4(72); C5H7(210)+C2H4(72)(+M)=>C5H7(158)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.779e+00 -1.547e-01 -1.015e-01 -5.082e-02 / CHEB/ 1.152e+01 5.961e-02 3.820e-02 1.828e-02 / CHEB/ 4.601e-01 4.695e-02 2.992e-02 1.414e-02 / CHEB/ 1.318e-01 3.056e-02 1.992e-02 9.850e-03 / CHEB/ 1.149e-03 -1.368e-03 -9.157e-05 7.013e-04 / CHEB/ -2.078e-02 -8.670e-03 -5.201e-03 -2.150e-03 /

4961.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.4	-6.7	-2.8	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-17.5	-6.8	-2.8	-0.7

Chebyshev(coeffs=[[-10.218,-0.125763,-0.0834045,-0.042594],[14.8573,0.0424597,0.0275884,0.0135561],[0.478038,0.0402476,0.0259901,0.0126153],[0.148745,0.0267722,0.0176188,0.00887037],[0.0137075,-0.000788305,6.43806e-05,0.000577055],[-0.0148913,-0.00736684,-0.00450827,-0.00195155]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.47
S298 (cal/mol*K) = -11.47
G298 (kcal/mol) = 47.88

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(58); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.022e+01 -1.258e-01 -8.340e-02 -4.259e-02 / CHEB/ 1.486e+01 4.246e-02 2.759e-02 1.356e-02 / CHEB/ 4.780e-01 4.025e-02 2.599e-02 1.262e-02 / CHEB/ 1.487e-01 2.677e-02 1.762e-02 8.870e-03 / CHEB/ 1.371e-02 -7.883e-04 6.438e-05 5.771e-04 / CHEB/ -1.489e-02 -7.367e-03 -4.508e-03 -1.952e-03 /

4962.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.4	-6.8	-3.1	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-6.9	-3.1	-1.1

Chebyshev(coeffs=[[-9.19993,-0.141531,-0.0933019,-0.047135],[13.3062,0.0523759,0.0337691,0.0163507],[0.570094,0.0439649,0.0281877,0.0134919],[0.188212,0.0286833,0.0187844,0.00937215],[0.0399195,-0.00130246,-0.000147805,0.000584311],[-0.00799851,-0.00813238,-0.00492633,-0.00208368]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.22
S298 (cal/mol*K) = -19.72
G298 (kcal/mol) = 43.09

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(55); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.200e+00 -1.415e-01 -9.330e-02 -4.714e-02 / CHEB/ 1.331e+01 5.238e-02 3.377e-02 1.635e-02 / CHEB/ 5.701e-01 4.396e-02 2.819e-02 1.349e-02 / CHEB/ 1.882e-01 2.868e-02 1.878e-02 9.372e-03 / CHEB/ 3.992e-02 -1.302e-03 -1.478e-04 5.843e-04 / CHEB/ -7.999e-03 -8.132e-03 -4.926e-03 -2.084e-03 /

4963.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-10.2	-5.4	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-23.8	-10.3	-5.4	-2.9

Chebyshev(coeffs=[[-16.3917,-0.0963388,-0.0646162,-0.0336716],[18.989,0.0275988,0.0182106,0.00920886],[0.398151,0.0322337,0.0211247,0.0105474],[0.132179,0.022001,0.0146395,0.00752009],[0.0156517,-0.000320622,0.000163272,0.00043516],[-0.0118141,-0.00585741,-0.00366888,-0.00167121]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.52
S298 (cal/mol*K) = -14.10
G298 (kcal/mol) = 62.72

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(172); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.639e+01 -9.634e-02 -6.462e-02 -3.367e-02 / CHEB/ 1.899e+01 2.760e-02 1.821e-02 9.209e-03 / CHEB/ 3.982e-01 3.223e-02 2.112e-02 1.055e-02 / CHEB/ 1.322e-01 2.200e-02 1.464e-02 7.520e-03 / CHEB/ 1.565e-02 -3.206e-04 1.633e-04 4.352e-04 / CHEB/ -1.181e-02 -5.857e-03 -3.669e-03 -1.671e-03 /

4964.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-10.2	-5.4	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-23.8	-10.3	-5.4	-2.9

H298 (kcal/mol) = 58.52
S298 (cal/mol*K) = -14.10
G298 (kcal/mol) = 62.72

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(177); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.639e+01 -9.634e-02 -6.462e-02 -3.367e-02 / CHEB/ 1.899e+01 2.760e-02 1.821e-02 9.209e-03 / CHEB/ 3.982e-01 3.223e-02 2.112e-02 1.055e-02 / CHEB/ 1.322e-01 2.200e-02 1.464e-02 7.520e-03 / CHEB/ 1.565e-02 -3.206e-04 1.633e-04 4.352e-04 / CHEB/ -1.181e-02 -5.857e-03 -3.669e-03 -1.671e-03 /

4965.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.3	-7.0	-2.6	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-7.0	-2.6	-0.3

Chebyshev(coeffs=[[-12.053,-0.105721,-0.0706503,-0.036578],[17.2694,0.0320633,0.0210482,0.0105432],[0.370719,0.0348997,0.0227619,0.0112614],[0.122493,0.023621,0.0156601,0.00799128],[0.0100941,-0.000453143,0.000139954,0.00048246],[-0.0146257,-0.00635592,-0.00395023,-0.00176947]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.51
S298 (cal/mol*K) = -6.11
G298 (kcal/mol) = 46.33

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(790); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(790)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.205e+01 -1.057e-01 -7.065e-02 -3.658e-02 / CHEB/ 1.727e+01 3.206e-02 2.105e-02 1.054e-02 / CHEB/ 3.707e-01 3.490e-02 2.276e-02 1.126e-02 / CHEB/ 1.225e-01 2.362e-02 1.566e-02 7.991e-03 / CHEB/ 1.009e-02 -4.531e-04 1.400e-04 4.825e-04 / CHEB/ -1.463e-02 -6.356e-03 -3.950e-03 -1.769e-03 /

4966.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-10.4	-5.6	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-10.4	-5.6	-3.1

Chebyshev(coeffs=[[-16.151,-0.0999278,-0.0669216,-0.0347792],[18.4384,0.0302206,0.0198986,0.0100234],[0.460761,0.0331992,0.0217237,0.0108147],[0.153091,0.02239,0.0148838,0.00763211],[0.0255031,-0.000552399,3.62077e-05,0.000394816],[-0.0093776,-0.00608135,-0.00380179,-0.00172469]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.22
S298 (cal/mol*K) = -17.14
G298 (kcal/mol) = 61.32

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(791); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(791)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.615e+01 -9.993e-02 -6.692e-02 -3.478e-02 / CHEB/ 1.844e+01 3.022e-02 1.990e-02 1.002e-02 / CHEB/ 4.608e-01 3.320e-02 2.172e-02 1.081e-02 / CHEB/ 1.531e-01 2.239e-02 1.488e-02 7.632e-03 / CHEB/ 2.550e-02 -5.524e-04 3.621e-05 3.948e-04 / CHEB/ -9.378e-03 -6.081e-03 -3.802e-03 -1.725e-03 /

4993.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+1.0	+1.3	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+0.4	+1.1	+1.3

Chebyshev(coeffs=[[5.46683,-1.46981,-0.604044,-0.125261],[1.60125,1.01724,0.283046,-0.0111595],[0.263336,0.170393,0.144546,0.051583],[0.0373068,0.110545,0.0614796,0.0239694],[-0.0199864,0.0466959,0.0200852,0.00674287],[-0.0415248,-0.0110104,-0.000429315,0.00249574]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.59
S298 (cal/mol*K) = -34.99
G298 (kcal/mol) = -42.17

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(792); C2H4(72), C7H11(792); C5H7(210)+C2H4(72)(+M)=>C7H11(792)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.467e+00 -1.470e+00 -6.040e-01 -1.253e-01 / CHEB/ 1.601e+00 1.017e+00 2.830e-01 -1.116e-02 / CHEB/ 2.633e-01 1.704e-01 1.445e-01 5.158e-02 / CHEB/ 3.731e-02 1.105e-01 6.148e-02 2.397e-02 / CHEB/ -1.999e-02 4.670e-02 2.009e-02 6.743e-03 / CHEB/ -4.152e-02 -1.101e-02 -4.293e-04 2.496e-03 /

4994.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+1.6	+2.1	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+1.1	+1.8	+2.1

Chebyshev(coeffs=[[6.02318,-1.46586,-0.60307,-0.125379],[1.79091,1.01768,0.283922,-0.0108275],[0.305574,0.168488,0.14412,0.0518236],[0.0479223,0.109585,0.0610754,0.023986],[-0.0169159,0.0464876,0.0199688,0.00670407],[-0.0403968,-0.0110073,-0.000473321,0.00245554]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.59
S298 (cal/mol*K) = -34.99
G298 (kcal/mol) = -42.17

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(793); C2H4(72), C7H11(793); C5H7(210)+C2H4(72)(+M)=>C7H11(793)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.023e+00 -1.466e+00 -6.031e-01 -1.254e-01 / CHEB/ 1.791e+00 1.018e+00 2.839e-01 -1.083e-02 / CHEB/ 3.056e-01 1.685e-01 1.441e-01 5.182e-02 / CHEB/ 4.792e-02 1.096e-01 6.108e-02 2.399e-02 / CHEB/ -1.692e-02 4.649e-02 1.997e-02 6.704e-03 / CHEB/ -4.040e-02 -1.101e-02 -4.733e-04 2.456e-03 /

4995.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-4.8	-2.6	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-5.1	-2.7	-1.6

Chebyshev(coeffs=[[-4.0811,-0.899094,-0.468934,-0.14964],[7.90135,0.677698,0.297961,0.0530523],[0.537927,0.0569635,0.0691817,0.0471991],[0.0873944,0.0791908,0.043061,0.0176022],[-0.015455,0.0346145,0.0178262,0.00528779],[-0.0321095,-0.0118351,-0.00423806,0.000113983]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.34
S298 (cal/mol*K) = -37.78
G298 (kcal/mol) = -7.08

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(794); C2H4(72), C7H11(794); C5H7(210)+C2H4(72)(+M)=>C7H11(794)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.081e+00 -8.991e-01 -4.689e-01 -1.496e-01 / CHEB/ 7.901e+00 6.777e-01 2.980e-01 5.305e-02 / CHEB/ 5.379e-01 5.696e-02 6.918e-02 4.720e-02 / CHEB/ 8.739e-02 7.919e-02 4.306e-02 1.760e-02 / CHEB/ -1.546e-02 3.461e-02 1.783e-02 5.288e-03 / CHEB/ -3.211e-02 -1.184e-02 -4.238e-03 1.140e-04 /

4996.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.5	+4.7	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+3.9	+4.4	+4.6

Chebyshev(coeffs=[[9.44433,-1.26734,-0.477768,-0.0831456],[0.951648,0.710827,0.123048,-0.0427031],[0.187051,0.230741,0.148255,0.0258438],[0.0563048,0.140551,0.0795584,0.0315554],[-0.00500742,0.0467324,0.0225201,0.0102484],[-0.0325847,-0.00886749,0.00131658,0.00307582]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.59
S298 (cal/mol*K) = -34.76
G298 (kcal/mol) = -42.23

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(718); C2H4(72), C7H11(718); C5H7(210)+C2H4(72)(+M)=>C7H11(718)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.444e+00 -1.267e+00 -4.778e-01 -8.315e-02 / CHEB/ 9.516e-01 7.108e-01 1.230e-01 -4.270e-02 / CHEB/ 1.871e-01 2.307e-01 1.483e-01 2.584e-02 / CHEB/ 5.630e-02 1.406e-01 7.956e-02 3.156e-02 / CHEB/ -5.007e-03 4.673e-02 2.252e-02 1.025e-02 / CHEB/ -3.258e-02 -8.867e-03 1.317e-03 3.076e-03 /

4997.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+1.8	+2.0	+2.0
log₁₀(k(10 bar)/[mole,m,s])	+0.1	+1.2	+1.7	+1.9

Chebyshev(coeffs=[[6.59666,-1.5313,-0.618699,-0.122988],[1.13927,1.00838,0.269862,-0.0155105],[0.153824,0.202681,0.151517,0.0477414],[0.0391799,0.128397,0.0683274,0.0234566],[-0.00888556,0.05034,0.0220803,0.0073246],[-0.0375431,-0.0118007,0.000122875,0.00318191]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.94
S298 (cal/mol*K) = -36.48
G298 (kcal/mol) = -39.07

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(795); C2H4(72), C7H11(795); C5H7(210)+C2H4(72)(+M)=>C7H11(795)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.597e+00 -1.531e+00 -6.187e-01 -1.230e-01 / CHEB/ 1.139e+00 1.008e+00 2.699e-01 -1.551e-02 / CHEB/ 1.538e-01 2.027e-01 1.515e-01 4.774e-02 / CHEB/ 3.918e-02 1.284e-01 6.833e-02 2.346e-02 / CHEB/ -8.886e-03 5.034e-02 2.208e-02 7.325e-03 / CHEB/ -3.754e-02 -1.180e-02 1.229e-04 3.182e-03 /

4998.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.6	+0.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-1.9	+0.2	+1.2

Chebyshev(coeffs=[[-1.34667,-0.775821,-0.425929,-0.150058],[8.39192,0.56917,0.272202,0.0630238],[0.202142,0.050546,0.0565407,0.0407164],[0.017166,0.0784123,0.0433906,0.0170357],[-0.0297458,0.032351,0.0175102,0.00566884],[-0.0364025,-0.0114471,-0.00464967,-0.000245747]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.41
S298 (cal/mol*K) = 4.10
G298 (kcal/mol) = 22.19

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H6(796); C2H4(72), C2H5(419); C5H7(210)+C2H4(72)(+M)=>C2H5(419)+C5H6(796)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.347e+00 -7.758e-01 -4.259e-01 -1.501e-01 / CHEB/ 8.392e+00 5.692e-01 2.722e-01 6.302e-02 / CHEB/ 2.021e-01 5.055e-02 5.654e-02 4.072e-02 / CHEB/ 1.717e-02 7.841e-02 4.339e-02 1.704e-02 / CHEB/ -2.975e-02 3.235e-02 1.751e-02 5.669e-03 / CHEB/ -3.640e-02 -1.145e-02 -4.650e-03 -2.457e-04 /

4999.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-5.6	-2.8	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-5.9	-2.9	-1.4

Chebyshev(coeffs=[[-7.48303,-0.598995,-0.351097,-0.141115],[11.8191,0.425399,0.225869,0.0701162],[0.260233,0.0370932,0.0392339,0.0302067],[0.0555845,0.0728958,0.0416817,0.0163717],[-0.00976654,0.0281756,0.016308,0.00616864],[-0.0262975,-0.0104627,-0.00495255,-0.000885165]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.41
S298 (cal/mol*K) = -8.02
G298 (kcal/mol) = 36.80

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(597); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(597)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.483e+00 -5.990e-01 -3.511e-01 -1.411e-01 / CHEB/ 1.182e+01 4.254e-01 2.259e-01 7.012e-02 / CHEB/ 2.602e-01 3.709e-02 3.923e-02 3.021e-02 / CHEB/ 5.558e-02 7.290e-02 4.168e-02 1.637e-02 / CHEB/ -9.767e-03 2.818e-02 1.631e-02 6.169e-03 / CHEB/ -2.630e-02 -1.046e-02 -4.953e-03 -8.852e-04 /

5000.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-2.0	+0.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-2.3	+0.0	+1.1

Chebyshev(coeffs=[[-2.06716,-0.747915,-0.415038,-0.149379],[8.94958,0.546258,0.265826,0.0647838],[0.223993,0.0484379,0.0536902,0.0391777],[0.0274448,0.0777968,0.0432377,0.0169031],[-0.0253135,0.0317391,0.01736,0.00574609],[-0.0344454,-0.0113513,-0.00473406,-0.000343725]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.78
S298 (cal/mol*K) = 0.02
G298 (kcal/mol) = 24.77

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(797); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>CH3(423)+C6H8(797)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.067e+00 -7.479e-01 -4.150e-01 -1.494e-01 / CHEB/ 8.950e+00 5.463e-01 2.658e-01 6.478e-02 / CHEB/ 2.240e-01 4.844e-02 5.369e-02 3.918e-02 / CHEB/ 2.744e-02 7.780e-02 4.324e-02 1.690e-02 / CHEB/ -2.531e-02 3.174e-02 1.736e-02 5.746e-03 / CHEB/ -3.445e-02 -1.135e-02 -4.734e-03 -3.437e-04 /

5001.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-5.6	-2.6	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-5.8	-2.7	-1.2

Chebyshev(coeffs=[[-7.41768,-0.600919,-0.351985,-0.141276],[11.8575,0.426946,0.226445,0.0700955],[0.27713,0.0372366,0.039412,0.0303298],[0.0603673,0.0729794,0.0417116,0.0163772],[-0.00826852,0.028226,0.0163249,0.0061638],[-0.0258104,-0.0104786,-0.00495247,-0.000878226]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.41
S298 (cal/mol*K) = -7.79
G298 (kcal/mol) = 36.73

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(798); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(798)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.418e+00 -6.009e-01 -3.520e-01 -1.413e-01 / CHEB/ 1.186e+01 4.269e-01 2.264e-01 7.010e-02 / CHEB/ 2.771e-01 3.724e-02 3.941e-02 3.033e-02 / CHEB/ 6.037e-02 7.298e-02 4.171e-02 1.638e-02 / CHEB/ -8.269e-03 2.823e-02 1.632e-02 6.164e-03 / CHEB/ -2.581e-02 -1.048e-02 -4.952e-03 -8.782e-04 /

5002.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.7	-5.5	-2.3	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-5.7	-2.4	-0.7

Chebyshev(coeffs=[[-8.02431,-0.554099,-0.329549,-0.136434],[12.9304,0.395612,0.21506,0.0710003],[0.339912,0.0320123,0.0344733,0.0273142],[0.0844108,0.0692862,0.0400045,0.0159059],[0.00505978,0.0260739,0.0153801,0.00608357],[-0.0204256,-0.010341,-0.00509599,-0.0011081]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.06
S298 (cal/mol*K) = -9.51
G298 (kcal/mol) = 39.89

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(799); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(799)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.024e+00 -5.541e-01 -3.295e-01 -1.364e-01 / CHEB/ 1.293e+01 3.956e-01 2.151e-01 7.100e-02 / CHEB/ 3.399e-01 3.201e-02 3.447e-02 2.731e-02 / CHEB/ 8.441e-02 6.929e-02 4.000e-02 1.591e-02 / CHEB/ 5.060e-03 2.607e-02 1.538e-02 6.084e-03 / CHEB/ -2.043e-02 -1.034e-02 -5.096e-03 -1.108e-03 /

5003.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.6	-12.2	-7.1	-4.6
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-12.3	-7.2	-4.6

Chebyshev(coeffs=[[-20.3885,-0.218857,-0.145189,-0.074192],[21.7076,0.125279,0.0812723,0.0398258],[0.0898993,0.0188073,0.0138506,0.00833837],[0.0229861,0.0419861,0.0271577,0.0132361],[-0.00430156,0.0139022,0.00926787,0.00477541],[-0.0135822,-0.00498628,-0.00307707,-0.00135518]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.66
S298 (cal/mol*K) = -10.81
G298 (kcal/mol) = 71.88

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(800); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(800)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.039e+01 -2.189e-01 -1.452e-01 -7.419e-02 / CHEB/ 2.171e+01 1.253e-01 8.127e-02 3.983e-02 / CHEB/ 8.990e-02 1.881e-02 1.385e-02 8.338e-03 / CHEB/ 2.299e-02 4.199e-02 2.716e-02 1.324e-02 / CHEB/ -4.302e-03 1.390e-02 9.268e-03 4.775e-03 / CHEB/ -1.358e-02 -4.986e-03 -3.077e-03 -1.355e-03 /

5004.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-1.5	-0.5	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-4.8	-2.0	-0.7	-0.1

Chebyshev(coeffs=[[2.10536,-1.34757,-0.574447,-0.128945],[3.17774,1.01163,0.306872,0.000611766],[0.577919,0.116288,0.129556,0.0575331],[0.0820952,0.0890819,0.050433,0.023276],[-0.0123934,0.0418206,0.0174819,0.00551439],[-0.0365763,-0.0116936,-0.00171299,0.00147202]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.54
S298 (cal/mol*K) = -43.20
G298 (kcal/mol) = -9.67

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(801); C2H4(72), C7H11(801); C5H7(210)+C2H4(72)(+M)=>C7H11(801)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.105e+00 -1.348e+00 -5.744e-01 -1.289e-01 / CHEB/ 3.178e+00 1.012e+00 3.069e-01 6.118e-04 / CHEB/ 5.779e-01 1.163e-01 1.296e-01 5.753e-02 / CHEB/ 8.210e-02 8.908e-02 5.043e-02 2.328e-02 / CHEB/ -1.239e-02 4.182e-02 1.748e-02 5.514e-03 / CHEB/ -3.658e-02 -1.169e-02 -1.713e-03 1.472e-03 /

5005.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-7.4	-4.0	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-7.6	-4.1	-2.4

Chebyshev(coeffs=[[-10.8079,-0.462656,-0.284258,-0.125571],[14.2342,0.316701,0.181139,0.0677752],[0.136243,0.0276515,0.0273998,0.0212575],[0.0302338,0.065343,0.0387154,0.0159745],[-0.0120036,0.0241573,0.0147578,0.00634818],[-0.0238222,-0.00902596,-0.0047447,-0.00132548]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.43
S298 (cal/mol*K) = -4.57
G298 (kcal/mol) = 44.79

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(538); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(538)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.081e+01 -4.627e-01 -2.843e-01 -1.256e-01 / CHEB/ 1.423e+01 3.167e-01 1.811e-01 6.778e-02 / CHEB/ 1.362e-01 2.765e-02 2.740e-02 2.126e-02 / CHEB/ 3.023e-02 6.534e-02 3.872e-02 1.597e-02 / CHEB/ -1.200e-02 2.416e-02 1.476e-02 6.348e-03 / CHEB/ -2.382e-02 -9.026e-03 -4.745e-03 -1.325e-03 /

5006.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+0.8	+1.6	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-2.1	+0.3	+1.4	+1.9

Chebyshev(coeffs=[[4.74466,-1.39841,-0.586599,-0.127391],[2.6393,1.01862,0.297777,-0.00462698],[0.48745,0.137214,0.136176,0.0554726],[0.0658352,0.0963116,0.0546999,0.0238339],[-0.0224346,0.0438828,0.0184405,0.00601102],[-0.0406861,-0.0111722,-0.00115595,0.001851]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.20
S298 (cal/mol*K) = -37.48
G298 (kcal/mol) = -41.03

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(802); C2H4(72), C7H11(802); C5H7(210)+C2H4(72)(+M)=>C7H11(802)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.745e+00 -1.398e+00 -5.866e-01 -1.274e-01 / CHEB/ 2.639e+00 1.019e+00 2.978e-01 -4.627e-03 / CHEB/ 4.874e-01 1.372e-01 1.362e-01 5.547e-02 / CHEB/ 6.584e-02 9.631e-02 5.470e-02 2.383e-02 / CHEB/ -2.243e-02 4.388e-02 1.844e-02 6.011e-03 / CHEB/ -4.069e-02 -1.117e-02 -1.156e-03 1.851e-03 /

5007.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-0.7	+1.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-1.0	+1.4	+2.6

Chebyshev(coeffs=[[-0.793353,-0.771264,-0.424174,-0.149964],[9.01794,0.565424,0.271187,0.063326],[0.324045,0.0502032,0.0560721,0.0404684],[0.0536954,0.078317,0.0433679,0.0170132],[-0.0174869,0.0322519,0.0174865,0.00568121],[-0.0320212,-0.0114328,-0.0046643,-0.000261608]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.55
S298 (cal/mol*K) = 3.40
G298 (kcal/mol) = 14.54

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H9(803); C2H4(72), C3H2(804); C5H7(210)+C2H4(72)(+M)=>C3H2(804)+C4H9(803)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.934e-01 -7.713e-01 -4.242e-01 -1.500e-01 / CHEB/ 9.018e+00 5.654e-01 2.712e-01 6.333e-02 / CHEB/ 3.240e-01 5.020e-02 5.607e-02 4.047e-02 / CHEB/ 5.370e-02 7.832e-02 4.337e-02 1.701e-02 / CHEB/ -1.749e-02 3.225e-02 1.749e-02 5.681e-03 / CHEB/ -3.202e-02 -1.143e-02 -4.664e-03 -2.616e-04 /

5008.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.6	-15.5	-8.9	-5.6
log₁₀(k(10 bar)/[mole,m,s])	-35.6	-15.5	-8.9	-5.6

Chebyshev(coeffs=[[-28.0009,-0.10092,-0.0688647,-0.0369805],[28.465,0.0397008,0.027078,0.0145281],[-0.0351594,0.0168491,0.01138,0.00600319],[-0.0212246,0.0238567,0.0160777,0.00844819],[-0.014688,0.00692949,0.00478152,0.00261649],[-0.0125318,-0.00248744,-0.0016058,-0.000777994]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.66
S298 (cal/mol*K) = 0.68
G298 (kcal/mol) = 82.46

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H10(806); C2H4(72), C2H(805); C5H7(210)+C2H4(72)(+M)=>C5H10(806)+C2H(805)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.800e+01 -1.009e-01 -6.886e-02 -3.698e-02 / CHEB/ 2.846e+01 3.970e-02 2.708e-02 1.453e-02 / CHEB/ -3.516e-02 1.685e-02 1.138e-02 6.003e-03 / CHEB/ -2.122e-02 2.386e-02 1.608e-02 8.448e-03 / CHEB/ -1.469e-02 6.929e-03 4.782e-03 2.616e-03 / CHEB/ -1.253e-02 -2.487e-03 -1.606e-03 -7.780e-04 /

5009.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.2	-8.4	-4.7	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-8.5	-4.7	-2.8

Chebyshev(coeffs=[[-12.3854,-0.436119,-0.270343,-0.121533],[15.2807,0.29571,0.171539,0.0663533],[0.222722,0.026071,0.0253343,0.0195243],[0.0572894,0.0634658,0.0379116,0.0158692],[-0.00186006,0.0232555,0.0143568,0.0063242],[-0.0195298,-0.00867527,-0.00465062,-0.0013903]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.43
S298 (cal/mol*K) = -8.76
G298 (kcal/mol) = 49.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(807); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(807)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.239e+01 -4.361e-01 -2.703e-01 -1.215e-01 / CHEB/ 1.528e+01 2.957e-01 1.715e-01 6.635e-02 / CHEB/ 2.227e-01 2.607e-02 2.533e-02 1.952e-02 / CHEB/ 5.729e-02 6.347e-02 3.791e-02 1.587e-02 / CHEB/ -1.860e-03 2.326e-02 1.436e-02 6.324e-03 / CHEB/ -1.953e-02 -8.675e-03 -4.651e-03 -1.390e-03 /

5046.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+2.4	+3.2	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+1.7	+2.8	+3.1

Chebyshev(coeffs=[[5.69632,-1.95294,-0.198666,-0.0137695],[3.39841,1.20276,-0.115246,-0.0464437],[0.31973,0.344399,0.0225192,-0.0217137],[-0.129115,0.049662,0.0471346,-7.60972e-05],[-0.0868663,-0.00930321,0.0377023,0.010557],[-0.0276122,-0.023969,0.0124788,0.00896413]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -86.18
S298 (cal/mol*K) = -43.07
G298 (kcal/mol) = -73.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(808); C5H6(62), C7H10(808); C2H4(115)+C5H6(62)(+M)=>C7H10(808)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.696e+00 -1.953e+00 -1.987e-01 -1.377e-02 / CHEB/ 3.398e+00 1.203e+00 -1.152e-01 -4.644e-02 / CHEB/ 3.197e-01 3.444e-01 2.252e-02 -2.171e-02 / CHEB/ -1.291e-01 4.966e-02 4.713e-02 -7.610e-05 / CHEB/ -8.687e-02 -9.303e-03 3.770e-02 1.056e-02 / CHEB/ -2.761e-02 -2.397e-02 1.248e-02 8.964e-03 /

5047.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+0.2	+1.4	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-4.9	-0.5	+1.0	+1.5

Chebyshev(coeffs=[[2.99758,-1.87331,-0.197138,-0.0195742],[4.24088,1.23664,-0.10741,-0.0449572],[0.527335,0.321246,0.0329132,-0.0190427],[-0.0972961,0.0221814,0.0521424,0.000610061],[-0.0862122,-0.0250681,0.036771,0.0118697],[-0.032234,-0.0260007,0.00925899,0.0100068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.70
S298 (cal/mol*K) = -22.31
G298 (kcal/mol) = -19.06

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(809); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(809)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.998e+00 -1.873e+00 -1.971e-01 -1.957e-02 / CHEB/ 4.241e+00 1.237e+00 -1.074e-01 -4.496e-02 / CHEB/ 5.273e-01 3.212e-01 3.291e-02 -1.904e-02 / CHEB/ -9.730e-02 2.218e-02 5.214e-02 6.101e-04 / CHEB/ -8.621e-02 -2.507e-02 3.677e-02 1.187e-02 / CHEB/ -3.223e-02 -2.600e-02 9.259e-03 1.001e-02 /

5048.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-1.4	+0.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-2.0	-0.1	+0.5

Chebyshev(coeffs=[[0.514598,-1.69513,-0.19944,-0.0324104],[5.57783,1.23396,-0.087582,-0.0344528],[0.646751,0.264108,0.0568323,-0.0170454],[-0.108376,-0.0226291,0.0579375,0.00264192],[-0.0932225,-0.0431428,0.0292464,0.0166026],[-0.0452226,-0.0191861,0.00103043,0.0106746]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.93
S298 (cal/mol*K) = -10.59
G298 (kcal/mol) = 2.22

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H7(810); C2H4(115), CH3(423); C2H4(115)+C5H6(62)(+M)=>CH3(423)+C6H7(810)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.146e-01 -1.695e+00 -1.994e-01 -3.241e-02 / CHEB/ 5.578e+00 1.234e+00 -8.758e-02 -3.445e-02 / CHEB/ 6.468e-01 2.641e-01 5.683e-02 -1.705e-02 / CHEB/ -1.084e-01 -2.263e-02 5.794e-02 2.642e-03 / CHEB/ -9.322e-02 -4.314e-02 2.925e-02 1.660e-02 / CHEB/ -4.522e-02 -1.919e-02 1.030e-03 1.067e-02 /

5049.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	-1.2	+0.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-1.9	-0.2	+0.4

Chebyshev(coeffs=[[1.39422,-1.84001,-0.195501,-0.0215852],[4.59165,1.2538,-0.10221,-0.044108],[0.626031,0.313768,0.0384148,-0.0179267],[-0.0741812,0.0111912,0.0544332,0.00121451],[-0.0806943,-0.031561,0.0359657,0.0127011],[-0.0327045,-0.0264915,0.00746453,0.0103559]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.67
S298 (cal/mol*K) = -28.91
G298 (kcal/mol) = -13.06

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(811); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(811)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.394e+00 -1.840e+00 -1.955e-01 -2.159e-02 / CHEB/ 4.592e+00 1.254e+00 -1.022e-01 -4.411e-02 / CHEB/ 6.260e-01 3.138e-01 3.841e-02 -1.793e-02 / CHEB/ -7.418e-02 1.119e-02 5.443e-02 1.215e-03 / CHEB/ -8.069e-02 -3.156e-02 3.597e-02 1.270e-02 / CHEB/ -3.270e-02 -2.649e-02 7.465e-03 1.036e-02 /

5050.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-5.1	-3.1	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-5.6	-3.3	-2.4

Chebyshev(coeffs=[[-4.11037,-1.59987,-0.205975,-0.0381139],[7.13636,1.18905,-0.0735681,-0.0274077],[0.779098,0.246142,0.0670615,-0.0191543],[-0.0583905,-0.0383609,0.0574749,0.00562752],[-0.0807376,-0.0450367,0.0240368,0.0185938],[-0.0458358,-0.0135931,-0.00192016,0.0096214]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.83
S298 (cal/mol*K) = -21.99
G298 (kcal/mol) = 14.38

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(812); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(812)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.110e+00 -1.600e+00 -2.060e-01 -3.811e-02 / CHEB/ 7.136e+00 1.189e+00 -7.357e-02 -2.741e-02 / CHEB/ 7.791e-01 2.461e-01 6.706e-02 -1.915e-02 / CHEB/ -5.839e-02 -3.836e-02 5.747e-02 5.628e-03 / CHEB/ -8.074e-02 -4.504e-02 2.404e-02 1.859e-02 / CHEB/ -4.584e-02 -1.359e-02 -1.920e-03 9.621e-03 /

5051.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-2.7	-0.9	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-3.3	-1.2	-0.4

Chebyshev(coeffs=[[-1.05471,-1.70461,-0.199012,-0.0317491],[6.12077,1.23706,-0.0887669,-0.0352043],[0.784079,0.266505,0.0556786,-0.0169206],[-0.0674956,-0.0208611,0.0578654,0.00244038],[-0.0795684,-0.0427017,0.0297509,0.0163466],[-0.0398344,-0.0197352,0.0013923,0.0107357]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.37
S298 (cal/mol*K) = -23.09
G298 (kcal/mol) = 5.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(813); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(813)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.055e+00 -1.705e+00 -1.990e-01 -3.175e-02 / CHEB/ 6.121e+00 1.237e+00 -8.877e-02 -3.520e-02 / CHEB/ 7.841e-01 2.665e-01 5.568e-02 -1.692e-02 / CHEB/ -6.750e-02 -2.086e-02 5.787e-02 2.440e-03 / CHEB/ -7.957e-02 -4.270e-02 2.975e-02 1.635e-02 / CHEB/ -3.983e-02 -1.974e-02 1.392e-03 1.074e-02 /

5052.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-2.7	-0.9	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-3.3	-1.2	-0.4

H298 (kcal/mol) = -1.37
S298 (cal/mol*K) = -23.09
G298 (kcal/mol) = 5.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(814); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(814)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.055e+00 -1.705e+00 -1.990e-01 -3.175e-02 / CHEB/ 6.121e+00 1.237e+00 -8.877e-02 -3.520e-02 / CHEB/ 7.841e-01 2.665e-01 5.568e-02 -1.692e-02 / CHEB/ -6.750e-02 -2.086e-02 5.787e-02 2.440e-03 / CHEB/ -7.957e-02 -4.270e-02 2.975e-02 1.635e-02 / CHEB/ -3.983e-02 -1.974e-02 1.392e-03 1.074e-02 /

5053.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-0.9	+0.4	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-1.6	+0.0	+0.6

Chebyshev(coeffs=[[1.7005,-1.83803,-0.196734,-0.0221124],[4.52721,1.24568,-0.103645,-0.0436529],[0.582389,0.309509,0.0378146,-0.0180389],[-0.0939453,0.011163,0.0540196,0.000890048],[-0.0868617,-0.0305078,0.0357814,0.0126637],[-0.0343772,-0.0256196,0.00754225,0.0104002]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.96
S298 (cal/mol*K) = -41.20
G298 (kcal/mol) = -11.68

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(815); C5H6(62), C7H10(815); C2H4(115)+C5H6(62)(+M)=>C7H10(815)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.700e+00 -1.838e+00 -1.967e-01 -2.211e-02 / CHEB/ 4.527e+00 1.246e+00 -1.036e-01 -4.365e-02 / CHEB/ 5.824e-01 3.095e-01 3.781e-02 -1.804e-02 / CHEB/ -9.395e-02 1.116e-02 5.402e-02 8.900e-04 / CHEB/ -8.686e-02 -3.051e-02 3.578e-02 1.266e-02 / CHEB/ -3.438e-02 -2.562e-02 7.542e-03 1.040e-02 /

5054.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-0.9	+0.3	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-1.6	+0.0	+0.5

Chebyshev(coeffs=[[1.71705,-1.84192,-0.196761,-0.0218317],[4.49058,1.24491,-0.10406,-0.0438177],[0.575833,0.310841,0.0372729,-0.0181402],[-0.0944663,0.0123315,0.0538282,0.000860037],[-0.0868826,-0.0299589,0.035907,0.0125705],[-0.0341698,-0.0256969,0.007735,0.0103609]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.63
S298 (cal/mol*K) = -41.68
G298 (kcal/mol) = -12.21

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(816); C5H6(62), C7H10(816); C2H4(115)+C5H6(62)(+M)=>C7H10(816)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.717e+00 -1.842e+00 -1.968e-01 -2.183e-02 / CHEB/ 4.491e+00 1.245e+00 -1.041e-01 -4.382e-02 / CHEB/ 5.758e-01 3.108e-01 3.727e-02 -1.814e-02 / CHEB/ -9.447e-02 1.233e-02 5.383e-02 8.600e-04 / CHEB/ -8.688e-02 -2.996e-02 3.591e-02 1.257e-02 / CHEB/ -3.417e-02 -2.570e-02 7.735e-03 1.036e-02 /

5055.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-5.3	-4.4	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-6.1	-4.8	-4.5

Chebyshev(coeffs=[[-2.14247,-1.93891,-0.198663,-0.0148889],[3.57186,1.20803,-0.114393,-0.0462445],[0.363747,0.339357,0.0240279,-0.0211954],[-0.123715,0.0443335,0.0479444,-8.94459e-07],[-0.0898359,-0.0121574,0.037621,0.0107052],[-0.0301073,-0.0243026,0.0120151,0.00914773]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.41
S298 (cal/mol*K) = -55.53
G298 (kcal/mol) = -44.86

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(817); C5H6(62), C7H10(817); C2H4(115)+C5H6(62)(+M)=>C7H10(817)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.142e+00 -1.939e+00 -1.987e-01 -1.489e-02 / CHEB/ 3.572e+00 1.208e+00 -1.144e-01 -4.624e-02 / CHEB/ 3.637e-01 3.394e-01 2.403e-02 -2.120e-02 / CHEB/ -1.237e-01 4.433e-02 4.794e-02 -8.945e-07 / CHEB/ -8.984e-02 -1.216e-02 3.762e-02 1.071e-02 / CHEB/ -3.011e-02 -2.430e-02 1.202e-02 9.148e-03 /

5056.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-3.1	-1.6	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-3.7	-1.9	-1.2

Chebyshev(coeffs=[[-0.976325,-1.76847,-0.196584,-0.0269947],[5.32307,1.25328,-0.0955299,-0.0400325],[0.712967,0.286408,0.0478367,-0.0166707],[-0.0909809,-0.00751133,0.0569317,0.00158359],[-0.0990115,-0.0384353,0.0329324,0.0145161],[-0.02383,-0.023657,0.00398542,0.0108695]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.63
S298 (cal/mol*K) = -41.68
G298 (kcal/mol) = -12.21

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(818); C5H6(62), C7H10(818); C2H4(115)+C5H6(62)(+M)=>C7H10(818)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.763e-01 -1.768e+00 -1.966e-01 -2.699e-02 / CHEB/ 5.323e+00 1.253e+00 -9.553e-02 -4.003e-02 / CHEB/ 7.130e-01 2.864e-01 4.784e-02 -1.667e-02 / CHEB/ -9.098e-02 -7.511e-03 5.693e-02 1.584e-03 / CHEB/ -9.901e-02 -3.844e-02 3.293e-02 1.452e-02 / CHEB/ -2.383e-02 -2.366e-02 3.985e-03 1.087e-02 /

5057.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-2.8	-2.0	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-3.6	-2.3	-2.0

Chebyshev(coeffs=[[0.400692,-1.93435,-0.198532,-0.0152138],[3.51534,1.21049,-0.113912,-0.0462023],[0.353514,0.338315,0.0246294,-0.0210428],[-0.12806,0.0427656,0.0482599,4.56964e-05],[-0.0916843,-0.0131682,0.0376063,0.0107733],[-0.0309861,-0.0245407,0.011852,0.00920936]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -47.96
S298 (cal/mol*K) = -48.19
G298 (kcal/mol) = -33.60

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(819); C5H6(62), C7H10(819); C2H4(115)+C5H6(62)(+M)=>C7H10(819)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.007e-01 -1.934e+00 -1.985e-01 -1.521e-02 / CHEB/ 3.515e+00 1.210e+00 -1.139e-01 -4.620e-02 / CHEB/ 3.535e-01 3.383e-01 2.463e-02 -2.104e-02 / CHEB/ -1.281e-01 4.277e-02 4.826e-02 4.570e-05 / CHEB/ -9.168e-02 -1.317e-02 3.761e-02 1.077e-02 / CHEB/ -3.099e-02 -2.454e-02 1.185e-02 9.209e-03 /

5058.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-4.2	-3.1	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-4.9	-3.5	-3.0

Chebyshev(coeffs=[[-1.07304,-1.91087,-0.197683,-0.0168076],[3.80779,1.22397,-0.111106,-0.0459771],[0.456349,0.333131,0.0279372,-0.0202457],[-0.0927182,0.0343902,0.0499413,0.000360481],[-0.0872708,-0.0185127,0.0374672,0.01118],[-0.0312067,-0.0256001,0.0109251,0.0095183]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.13
S298 (cal/mol*K) = -50.73
G298 (kcal/mol) = -21.01

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(618); C5H6(62), C7H10(618); C2H4(115)+C5H6(62)(+M)=>C7H10(618)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.073e+00 -1.911e+00 -1.977e-01 -1.681e-02 / CHEB/ 3.808e+00 1.224e+00 -1.111e-01 -4.598e-02 / CHEB/ 4.563e-01 3.331e-01 2.794e-02 -2.025e-02 / CHEB/ -9.272e-02 3.439e-02 4.994e-02 3.605e-04 / CHEB/ -8.727e-02 -1.851e-02 3.747e-02 1.118e-02 / CHEB/ -3.121e-02 -2.560e-02 1.093e-02 9.518e-03 /

5059.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-2.6	-1.7	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-3.3	-2.1	-1.7

Chebyshev(coeffs=[[0.579798,-1.93082,-0.198082,-0.0153794],[3.62693,1.21425,-0.113007,-0.0462239],[0.348265,0.339427,0.0253802,-0.0209744],[-0.146102,0.042534,0.0486433,0.000101357],[-0.0918278,-0.0139647,0.037637,0.0108528],[-0.0206962,-0.0254009,0.0116978,0.00927707]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -47.25
S298 (cal/mol*K) = -48.10
G298 (kcal/mol) = -32.92

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(820); C5H6(62), C7H10(820); C2H4(115)+C5H6(62)(+M)=>C7H10(820)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.798e-01 -1.931e+00 -1.981e-01 -1.538e-02 / CHEB/ 3.627e+00 1.214e+00 -1.130e-01 -4.622e-02 / CHEB/ 3.483e-01 3.394e-01 2.538e-02 -2.097e-02 / CHEB/ -1.461e-01 4.253e-02 4.864e-02 1.014e-04 / CHEB/ -9.183e-02 -1.396e-02 3.764e-02 1.085e-02 / CHEB/ -2.070e-02 -2.540e-02 1.170e-02 9.277e-03 /

5060.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	-1.8	-1.1	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-2.6	-1.5	-1.2

Chebyshev(coeffs=[[1.61027,-1.97287,-0.199355,-0.0123727],[3.21252,1.18981,-0.117384,-0.0464281],[0.264322,0.347681,0.0199357,-0.0223602],[-0.143939,0.0565635,0.0456618,-0.000316988],[-0.0921451,-0.00428357,0.0375814,0.0102912],[-0.028073,-0.0223301,0.0130581,0.00869975]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.21
S298 (cal/mol*K) = -52.09
G298 (kcal/mol) = -42.69

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(461); C5H6(62), C7H10(461); C2H4(115)+C5H6(62)(+M)=>C7H10(461)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.610e+00 -1.973e+00 -1.994e-01 -1.237e-02 / CHEB/ 3.213e+00 1.190e+00 -1.174e-01 -4.643e-02 / CHEB/ 2.643e-01 3.477e-01 1.994e-02 -2.236e-02 / CHEB/ -1.439e-01 5.656e-02 4.566e-02 -3.170e-04 / CHEB/ -9.215e-02 -4.284e-03 3.758e-02 1.029e-02 / CHEB/ -2.807e-02 -2.233e-02 1.306e-02 8.700e-03 /

5061.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-4.3	-3.3	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-5.0	-3.6	-3.2

Chebyshev(coeffs=[[-1.29802,-1.9066,-0.197808,-0.0171926],[3.90801,1.22396,-0.110966,-0.0457942],[0.450422,0.331214,0.0283486,-0.020114],[-0.108294,0.033264,0.0501102,0.000316663],[-0.087498,-0.0189631,0.0373719,0.0112283],[-0.0309354,-0.0255832,0.0107569,0.00958161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -37.48
S298 (cal/mol*K) = -50.61
G298 (kcal/mol) = -22.40

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(821); C5H6(62), C7H10(821); C2H4(115)+C5H6(62)(+M)=>C7H10(821)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.298e+00 -1.907e+00 -1.978e-01 -1.719e-02 / CHEB/ 3.908e+00 1.224e+00 -1.110e-01 -4.579e-02 / CHEB/ 4.504e-01 3.312e-01 2.835e-02 -2.011e-02 / CHEB/ -1.083e-01 3.326e-02 5.011e-02 3.167e-04 / CHEB/ -8.750e-02 -1.896e-02 3.737e-02 1.123e-02 / CHEB/ -3.094e-02 -2.558e-02 1.076e-02 9.582e-03 /

5062.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+3.1	+3.6	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+2.3	+3.1	+3.2

Chebyshev(coeffs=[[6.77005,-2.0278,-0.201217,-0.00847516],[2.705,1.14908,-0.122796,-0.0457955],[0.107787,0.352596,0.0133264,-0.0239648],[-0.179011,0.074125,0.0415184,-0.00093502],[-0.0999475,0.0101676,0.0366508,0.00975176],[-0.0306109,-0.0158699,0.0140041,0.00800957]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -100.82
S298 (cal/mol*K) = -51.53
G298 (kcal/mol) = -85.47

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(822); C5H6(62), C7H10(822); C2H4(115)+C5H6(62)(+M)=>C7H10(822)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.770e+00 -2.028e+00 -2.012e-01 -8.475e-03 / CHEB/ 2.705e+00 1.149e+00 -1.228e-01 -4.580e-02 / CHEB/ 1.078e-01 3.526e-01 1.333e-02 -2.396e-02 / CHEB/ -1.790e-01 7.412e-02 4.152e-02 -9.350e-04 / CHEB/ -9.995e-02 1.017e-02 3.665e-02 9.752e-03 / CHEB/ -3.061e-02 -1.587e-02 1.400e-02 8.010e-03 /

5063.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+0.5	+1.2	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-3.8	-0.3	+0.8	+1.1

Chebyshev(coeffs=[[3.87053,-1.9695,-0.198656,-0.0124372],[3.23742,1.1958,-0.116144,-0.0465812],[0.287978,0.349978,0.0208383,-0.0223177],[-0.13072,0.0561372,0.0461692,-0.000175109],[-0.0880369,-0.00546258,0.0377227,0.0103984],[-0.0281093,-0.0231398,0.012977,0.00874353]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -101.58
S298 (cal/mol*K) = -57.92
G298 (kcal/mol) = -84.32

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(454); C5H6(62), C7H10(454); C2H4(115)+C5H6(62)(+M)=>C7H10(454)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.871e+00 -1.969e+00 -1.987e-01 -1.244e-02 / CHEB/ 3.237e+00 1.196e+00 -1.161e-01 -4.658e-02 / CHEB/ 2.880e-01 3.500e-01 2.084e-02 -2.232e-02 / CHEB/ -1.307e-01 5.614e-02 4.617e-02 -1.751e-04 / CHEB/ -8.804e-02 -5.463e-03 3.772e-02 1.040e-02 / CHEB/ -2.811e-02 -2.314e-02 1.298e-02 8.744e-03 /

5064.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-4.4	-2.0	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-4.8	-2.2	-1.2

Chebyshev(coeffs=[[-4.16836,-1.4732,-0.220172,-0.040142],[8.45584,1.11778,-0.0461073,-0.0255094],[0.7505,0.225189,0.0785835,-0.0192125],[-0.0447502,-0.0537731,0.0540355,0.010898],[-0.0939772,-0.042742,0.0165873,0.0195219],[-0.0431558,-0.00642393,-0.00460639,0.0074754]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.20
S298 (cal/mol*K) = -29.96
G298 (kcal/mol) = 21.13

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(823); C5H6(62), C7H10(823); C2H4(115)+C5H6(62)(+M)=>C7H10(823)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.168e+00 -1.473e+00 -2.202e-01 -4.014e-02 / CHEB/ 8.456e+00 1.118e+00 -4.611e-02 -2.551e-02 / CHEB/ 7.505e-01 2.252e-01 7.858e-02 -1.921e-02 / CHEB/ -4.475e-02 -5.377e-02 5.404e-02 1.090e-02 / CHEB/ -9.398e-02 -4.274e-02 1.659e-02 1.952e-02 / CHEB/ -4.316e-02 -6.424e-03 -4.606e-03 7.475e-03 /

5065.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-2.8	-0.9	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-3.3	-1.2	-0.3

Chebyshev(coeffs=[[-1.0551,-1.70181,-0.19817,-0.031664],[6.10879,1.24361,-0.0875628,-0.0353706],[0.800489,0.265765,0.0567003,-0.0165421],[-0.0584312,-0.022983,0.0582394,0.0027178],[-0.0733581,-0.0440038,0.0295315,0.016493],[-0.0430483,-0.0196128,0.00102985,0.0107046]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.63
S298 (cal/mol*K) = -32.33
G298 (kcal/mol) = 5.00

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(824); C5H6(62), C7H10(824); C2H4(115)+C5H6(62)(+M)=>C7H10(824)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.055e+00 -1.702e+00 -1.982e-01 -3.166e-02 / CHEB/ 6.109e+00 1.244e+00 -8.756e-02 -3.537e-02 / CHEB/ 8.005e-01 2.658e-01 5.670e-02 -1.654e-02 / CHEB/ -5.843e-02 -2.298e-02 5.824e-02 2.718e-03 / CHEB/ -7.336e-02 -4.400e-02 2.953e-02 1.649e-02 / CHEB/ -4.305e-02 -1.961e-02 1.030e-03 1.070e-02 /

5066.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+3.3	+3.9	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+2.5	+3.5	+3.7

Chebyshev(coeffs=[[6.74541,-1.98763,-0.199842,-0.0113196],[3.07277,1.17985,-0.11888,-0.0463567],[0.227372,0.349672,0.0180986,-0.0228206],[-0.148123,0.061343,0.0445718,-0.000471794],[-0.0922336,-0.000620353,0.0374269,0.0101299],[-0.029987,-0.0208073,0.0134097,0.00850146]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.04
S298 (cal/mol*K) = -37.08
G298 (kcal/mol) = -48.99

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(825); C5H6(62), C7H10(825); C2H4(115)+C5H6(62)(+M)=>C7H10(825)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.745e+00 -1.988e+00 -1.998e-01 -1.132e-02 / CHEB/ 3.073e+00 1.180e+00 -1.189e-01 -4.636e-02 / CHEB/ 2.274e-01 3.497e-01 1.810e-02 -2.282e-02 / CHEB/ -1.481e-01 6.134e-02 4.457e-02 -4.718e-04 / CHEB/ -9.223e-02 -6.204e-04 3.743e-02 1.013e-02 / CHEB/ -2.999e-02 -2.081e-02 1.341e-02 8.501e-03 /

5067.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+2.5	+3.9	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+1.9	+3.6	+4.2

Chebyshev(coeffs=[[5.06715,-1.82991,-0.194992,-0.0221717],[4.70196,1.25873,-0.100561,-0.0437979],[0.656661,0.311319,0.0401325,-0.0175789],[-0.0668593,0.0078206,0.0551002,0.0014218],[-0.0788415,-0.0334477,0.0356553,0.0129731],[-0.0328909,-0.0265037,0.00687985,0.0104443]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.87
S298 (cal/mol*K) = -31.11
G298 (kcal/mol) = -16.60

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(826); C5H6(62), C7H10(826); C2H4(115)+C5H6(62)(+M)=>C7H10(826)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.067e+00 -1.830e+00 -1.950e-01 -2.217e-02 / CHEB/ 4.702e+00 1.259e+00 -1.006e-01 -4.380e-02 / CHEB/ 6.567e-01 3.113e-01 4.013e-02 -1.758e-02 / CHEB/ -6.686e-02 7.821e-03 5.510e-02 1.422e-03 / CHEB/ -7.884e-02 -3.345e-02 3.566e-02 1.297e-02 / CHEB/ -3.289e-02 -2.650e-02 6.880e-03 1.044e-02 /

5068.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-2.1	-0.7	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-2.7	-1.1	-0.5

Chebyshev(coeffs=[[0.520049,-1.83703,-0.196152,-0.0220185],[4.62559,1.24949,-0.102763,-0.0437511],[0.602228,0.311032,0.0383692,-0.0179561],[-0.0921792,0.0110255,0.0542988,0.00101991],[-0.0841875,-0.031101,0.0357936,0.0127195],[-0.0302085,-0.0261454,0.00739494,0.0104087]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.59
S298 (cal/mol*K) = -31.93
G298 (kcal/mol) = -15.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(827); C5H6(62), C7H10(827); C2H4(115)+C5H6(62)(+M)=>C7H10(827)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.200e-01 -1.837e+00 -1.962e-01 -2.202e-02 / CHEB/ 4.626e+00 1.249e+00 -1.028e-01 -4.375e-02 / CHEB/ 6.022e-01 3.110e-01 3.837e-02 -1.796e-02 / CHEB/ -9.218e-02 1.103e-02 5.430e-02 1.020e-03 / CHEB/ -8.419e-02 -3.110e-02 3.579e-02 1.272e-02 / CHEB/ -3.021e-02 -2.615e-02 7.395e-03 1.041e-02 /

5069.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+0.6	+1.9	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-4.8	-0.1	+1.6	+2.2

Chebyshev(coeffs=[[3.17563,-1.83681,-0.19563,-0.0218615],[4.62742,1.25343,-0.102076,-0.0439315],[0.62959,0.312154,0.0387532,-0.0178552],[-0.075244,0.0102502,0.054528,0.0011996],[-0.0813123,-0.0318428,0.0358425,0.0127656],[-0.0330775,-0.0263002,0.00732283,0.0103905]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.87
S298 (cal/mol*K) = -31.11
G298 (kcal/mol) = -16.60

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(828); C5H6(62), C7H10(828); C2H4(115)+C5H6(62)(+M)=>C7H10(828)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.176e+00 -1.837e+00 -1.956e-01 -2.186e-02 / CHEB/ 4.627e+00 1.253e+00 -1.021e-01 -4.393e-02 / CHEB/ 6.296e-01 3.122e-01 3.875e-02 -1.786e-02 / CHEB/ -7.524e-02 1.025e-02 5.453e-02 1.200e-03 / CHEB/ -8.131e-02 -3.184e-02 3.584e-02 1.277e-02 / CHEB/ -3.308e-02 -2.630e-02 7.323e-03 1.039e-02 /

5070.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+2.0	+2.5	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+1.2	+2.0	+2.1

Chebyshev(coeffs=[[5.69808,-2.0357,-0.201709,-0.0079759],[2.64964,1.14114,-0.12388,-0.0455751],[0.0844121,0.351447,0.0122423,-0.0241142],[-0.187148,0.075911,0.040816,-0.00103868],[-0.101787,0.0122876,0.0364046,0.00966863],[-0.0302278,-0.014577,0.0140502,0.0079167]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -94.76
S298 (cal/mol*K) = -54.88
G298 (kcal/mol) = -78.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(829); C5H6(62), C7H10(829); C2H4(115)+C5H6(62)(+M)=>C7H10(829)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.698e+00 -2.036e+00 -2.017e-01 -7.976e-03 / CHEB/ 2.650e+00 1.141e+00 -1.239e-01 -4.558e-02 / CHEB/ 8.441e-02 3.514e-01 1.224e-02 -2.411e-02 / CHEB/ -1.871e-01 7.591e-02 4.082e-02 -1.039e-03 / CHEB/ -1.018e-01 1.229e-02 3.640e-02 9.669e-03 / CHEB/ -3.023e-02 -1.458e-02 1.405e-02 7.917e-03 /

5093.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+1.6	+2.7	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+1.3	+2.6	+3.3

Chebyshev(coeffs=[[5.88048,-0.688715,-0.383927,-0.14159],[2.59851,0.472955,0.248365,0.0768408],[0.694761,0.0561033,0.0377082,0.0211868],[0.168385,0.0771807,0.038153,0.0100365],[0.00794367,0.0197785,0.0135663,0.0067434],[-0.0259745,-0.013873,-0.00520485,0.000209401]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.86
S298 (cal/mol*K) = -14.36
G298 (kcal/mol) = -15.58

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(583); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(583)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.880e+00 -6.887e-01 -3.839e-01 -1.416e-01 / CHEB/ 2.599e+00 4.730e-01 2.484e-01 7.684e-02 / CHEB/ 6.948e-01 5.610e-02 3.771e-02 2.119e-02 / CHEB/ 1.684e-01 7.718e-02 3.815e-02 1.004e-02 / CHEB/ 7.944e-03 1.978e-02 1.357e-02 6.743e-03 / CHEB/ -2.597e-02 -1.387e-02 -5.205e-03 2.094e-04 /

5094.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.4	+4.8	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+3.2	+4.1	+4.6	+4.9

Chebyshev(coeffs=[[9.51415,-0.754624,-0.416318,-0.149769],[1.04749,0.466859,0.24293,0.0724458],[0.259377,0.0807287,0.0496056,0.0241263],[0.0897669,0.0931285,0.0447946,0.0111277],[0.0017258,0.0259031,0.0163021,0.00736485],[-0.0261277,-0.013612,-0.00441796,0.00101951]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.60
S298 (cal/mol*K) = -4.80
G298 (kcal/mol) = -43.17

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H5(830); C2H4(72), C3H6(551); C5H7(210)+C2H4(72)(+M)=>C3H6(551)+C4H5(830)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.514e+00 -7.546e-01 -4.163e-01 -1.498e-01 / CHEB/ 1.047e+00 4.669e-01 2.429e-01 7.245e-02 / CHEB/ 2.594e-01 8.073e-02 4.961e-02 2.413e-02 / CHEB/ 8.977e-02 9.313e-02 4.479e-02 1.113e-02 / CHEB/ 1.726e-03 2.590e-02 1.630e-02 7.365e-03 / CHEB/ -2.613e-02 -1.361e-02 -4.418e-03 1.020e-03 /

5095.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-1.9	+0.7	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-2.0	+0.6	+2.0

Chebyshev(coeffs=[[-1.46573,-0.40978,-0.244701,-0.105467],[8.67255,0.250975,0.144075,0.0583999],[0.626456,0.046601,0.0283053,0.0120931],[0.139354,0.0608088,0.0346646,0.0127844],[-0.00537557,0.0121649,0.00868698,0.00496129],[-0.0270717,-0.0107552,-0.00526872,-0.00118978]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.76
S298 (cal/mol*K) = 5.20
G298 (kcal/mol) = 19.21

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H5(830); C2H4(72), C3H6(552); C5H7(210)+C2H4(72)(+M)=>C3H6(552)+C4H5(830)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.466e+00 -4.098e-01 -2.447e-01 -1.055e-01 / CHEB/ 8.673e+00 2.510e-01 1.441e-01 5.840e-02 / CHEB/ 6.265e-01 4.660e-02 2.831e-02 1.209e-02 / CHEB/ 1.394e-01 6.081e-02 3.466e-02 1.278e-02 / CHEB/ -5.376e-03 1.216e-02 8.687e-03 4.961e-03 / CHEB/ -2.707e-02 -1.076e-02 -5.269e-03 -1.190e-03 /

5096.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.0	-6.6	-3.3	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-15.2	-6.7	-3.4	-1.6

Chebyshev(coeffs=[[-8.00697,-0.335526,-0.204508,-0.0913686],[11.5684,0.194365,0.114251,0.0487229],[0.635503,0.0447847,0.0272956,0.0113099],[0.166102,0.0546879,0.032271,0.0129945],[0.0139428,0.00983596,0.00707214,0.00417305],[-0.0190519,-0.00979818,-0.00507391,-0.00143438]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.11
S298 (cal/mol*K) = -12.96
G298 (kcal/mol) = 34.97

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(582); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(582)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.007e+00 -3.355e-01 -2.045e-01 -9.137e-02 / CHEB/ 1.157e+01 1.944e-01 1.143e-01 4.872e-02 / CHEB/ 6.355e-01 4.478e-02 2.730e-02 1.131e-02 / CHEB/ 1.661e-01 5.469e-02 3.227e-02 1.299e-02 / CHEB/ 1.394e-02 9.836e-03 7.072e-03 4.173e-03 / CHEB/ -1.905e-02 -9.798e-03 -5.074e-03 -1.434e-03 /

5097.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-3.0	-0.2	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-3.1	-0.3	+1.2

Chebyshev(coeffs=[[-2.92009,-0.397666,-0.238223,-0.103299],[9.28942,0.24083,0.138771,0.056783],[0.66372,0.0466713,0.0283088,0.0119667],[0.154486,0.0600271,0.0344075,0.0128701],[0.000557552,0.011852,0.00845797,0.0048505],[-0.0248151,-0.0105942,-0.00523281,-0.00122697]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.13
S298 (cal/mol*K) = 1.74
G298 (kcal/mol) = 21.61

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(831); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>CH3(423)+C6H8(831)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.920e+00 -3.977e-01 -2.382e-01 -1.033e-01 / CHEB/ 9.289e+00 2.408e-01 1.388e-01 5.678e-02 / CHEB/ 6.637e-01 4.667e-02 2.831e-02 1.197e-02 / CHEB/ 1.545e-01 6.003e-02 3.441e-02 1.287e-02 / CHEB/ 5.576e-04 1.185e-02 8.458e-03 4.850e-03 / CHEB/ -2.482e-02 -1.059e-02 -5.233e-03 -1.227e-03 /

5098.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-4.6	-1.5	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-4.8	-1.6	+0.1

Chebyshev(coeffs=[[-5.77639,-0.346734,-0.210688,-0.0936576],[11.1202,0.199651,0.116981,0.0496215],[0.608057,0.0459526,0.0278707,0.01149],[0.154158,0.0562907,0.0330072,0.013094],[0.0053722,0.0105824,0.00752307,0.00436066],[-0.022036,-0.00983534,-0.00503328,-0.00136527]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.96
S298 (cal/mol*K) = -6.46
G298 (kcal/mol) = 31.88

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(832); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(832)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.776e+00 -3.467e-01 -2.107e-01 -9.366e-02 / CHEB/ 1.112e+01 1.997e-01 1.170e-01 4.962e-02 / CHEB/ 6.081e-01 4.595e-02 2.787e-02 1.149e-02 / CHEB/ 1.542e-01 5.629e-02 3.301e-02 1.309e-02 / CHEB/ 5.372e-03 1.058e-02 7.523e-03 4.361e-03 / CHEB/ -2.204e-02 -9.835e-03 -5.033e-03 -1.365e-03 /

5099.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-4.8	-1.6	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-4.9	-1.7	-0.0

Chebyshev(coeffs=[[-5.87633,-0.348344,-0.211565,-0.0939746],[11.1033,0.200915,0.117656,0.049855],[0.620018,0.045999,0.0278959,0.0115038],[0.157207,0.0564225,0.0330606,0.013091],[0.00620581,0.0106216,0.00755208,0.00437691],[-0.0217879,-0.00986159,-0.00504089,-0.00136145]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.76
S298 (cal/mol*K) = -7.34
G298 (kcal/mol) = 31.94

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(833); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(833)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.876e+00 -3.483e-01 -2.116e-01 -9.397e-02 / CHEB/ 1.110e+01 2.009e-01 1.177e-01 4.986e-02 / CHEB/ 6.200e-01 4.600e-02 2.790e-02 1.150e-02 / CHEB/ 1.572e-01 5.642e-02 3.306e-02 1.309e-02 / CHEB/ 6.206e-03 1.062e-02 7.552e-03 4.377e-03 / CHEB/ -2.179e-02 -9.862e-03 -5.041e-03 -1.361e-03 /

5100.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+0.5	+1.4	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+0.2	+1.2	+1.8

Chebyshev(coeffs=[[5.1838,-0.716822,-0.397774,-0.145103],[1.92316,0.472922,0.247234,0.0751931],[0.51771,0.0662643,0.0426908,0.0225076],[0.137507,0.082812,0.0404458,0.0103971],[0.00400119,0.0218965,0.0145239,0.00696505],[-0.0272203,-0.0137763,-0.0048759,0.000540267]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -75.94
S298 (cal/mol*K) = -53.40
G298 (kcal/mol) = -60.03

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(834); C2H4(72), C7H11(834); C5H7(210)+C2H4(72)(+M)=>C7H11(834)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.184e+00 -7.168e-01 -3.978e-01 -1.451e-01 / CHEB/ 1.923e+00 4.729e-01 2.472e-01 7.519e-02 / CHEB/ 5.177e-01 6.626e-02 4.269e-02 2.251e-02 / CHEB/ 1.375e-01 8.281e-02 4.045e-02 1.040e-02 / CHEB/ 4.001e-03 2.190e-02 1.452e-02 6.965e-03 / CHEB/ -2.722e-02 -1.378e-02 -4.876e-03 5.403e-04 /

5101.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+1.7	+2.0	+2.2
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+1.3	+1.9	+2.1

Chebyshev(coeffs=[[6.7943,-0.756961,-0.417474,-0.150071],[0.993081,0.465983,0.242414,0.072209],[0.240171,0.0814486,0.0499306,0.0241822],[0.0844472,0.0938443,0.0450955,0.0111742],[0.000561435,0.0262466,0.016454,0.00739797],[-0.0262723,-0.0135479,-0.00436538,0.00105573]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.49
S298 (cal/mol*K) = -51.66
G298 (kcal/mol) = -52.10

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(835); C2H4(72), C7H11(835); C5H7(210)+C2H4(72)(+M)=>C7H11(835)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.794e+00 -7.570e-01 -4.175e-01 -1.501e-01 / CHEB/ 9.931e-01 4.660e-01 2.424e-01 7.221e-02 / CHEB/ 2.402e-01 8.145e-02 4.993e-02 2.418e-02 / CHEB/ 8.445e-02 9.384e-02 4.510e-02 1.117e-02 / CHEB/ 5.614e-04 2.625e-02 1.645e-02 7.398e-03 / CHEB/ -2.627e-02 -1.355e-02 -4.365e-03 1.056e-03 /

5102.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.4	-8.9	-4.6	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-9.0	-4.7	-2.5

Chebyshev(coeffs=[[-14.2644,-0.20475,-0.131005,-0.0629971],[17.4656,0.0982315,0.0614081,0.0284952],[0.235816,0.0361714,0.02271,0.010269],[0.0743971,0.0405347,0.0253793,0.0116542],[-0.00189573,0.00697137,0.00481685,0.00266667],[-0.0181521,-0.00683005,-0.00388814,-0.00142836]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.35
S298 (cal/mol*K) = 1.62
G298 (kcal/mol) = 53.86

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(836); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(836)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.426e+01 -2.047e-01 -1.310e-01 -6.300e-02 / CHEB/ 1.747e+01 9.823e-02 6.141e-02 2.850e-02 / CHEB/ 2.358e-01 3.617e-02 2.271e-02 1.027e-02 / CHEB/ 7.440e-02 4.053e-02 2.538e-02 1.165e-02 / CHEB/ -1.896e-03 6.971e-03 4.817e-03 2.667e-03 / CHEB/ -1.815e-02 -6.830e-03 -3.888e-03 -1.428e-03 /

5103.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+0.2	+1.4	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-2.3	-0.0	+1.3	+2.0

Chebyshev(coeffs=[[4.49915,-0.686114,-0.382758,-0.141416],[2.6437,0.469928,0.246918,0.0765464],[0.683828,0.0545939,0.0368609,0.0208613],[0.157852,0.0772511,0.0382154,0.01006],[0.00391979,0.0200779,0.01371,0.0067848],[-0.027187,-0.0136412,-0.00511704,0.00021521]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.40
S298 (cal/mol*K) = -37.71
G298 (kcal/mol) = -44.17

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(837); C2H4(72), C7H11(837); C5H7(210)+C2H4(72)(+M)=>C7H11(837)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.499e+00 -6.861e-01 -3.828e-01 -1.414e-01 / CHEB/ 2.644e+00 4.699e-01 2.469e-01 7.655e-02 / CHEB/ 6.838e-01 5.459e-02 3.686e-02 2.086e-02 / CHEB/ 1.579e-01 7.725e-02 3.822e-02 1.006e-02 / CHEB/ 3.920e-03 2.008e-02 1.371e-02 6.785e-03 / CHEB/ -2.719e-02 -1.364e-02 -5.117e-03 2.152e-04 /

5104.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-5.3	-1.7	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-5.4	-1.8	+0.1

Chebyshev(coeffs=[[-7.72425,-0.298846,-0.184369,-0.0838992],[13.1476,0.163285,0.0974413,0.0425508],[0.548738,0.0438202,0.0267355,0.0110967],[0.149279,0.0519311,0.031121,0.0130282],[0.00963078,0.00941112,0.00665105,0.0038426],[-0.0188881,-0.00897489,-0.0047591,-0.00145455]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.90
S298 (cal/mol*K) = -1.82
G298 (kcal/mol) = 29.44

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(838); C2H4(72), C2H4(495); C5H7(210)+C2H4(72)(+M)=>C2H4(495)+C5H7(838)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.724e+00 -2.988e-01 -1.844e-01 -8.390e-02 / CHEB/ 1.315e+01 1.633e-01 9.744e-02 4.255e-02 / CHEB/ 5.487e-01 4.382e-02 2.674e-02 1.110e-02 / CHEB/ 1.493e-01 5.193e-02 3.112e-02 1.303e-02 / CHEB/ 9.631e-03 9.411e-03 6.651e-03 3.843e-03 / CHEB/ -1.889e-02 -8.975e-03 -4.759e-03 -1.455e-03 /

5105.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.5	-8.0	-3.5	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-20.7	-8.1	-3.6	-1.3

Chebyshev(coeffs=[[-13.3031,-0.213473,-0.136075,-0.0650415],[17.5273,0.10397,0.0646717,0.0297972],[0.384624,0.0370202,0.0231609,0.0103692],[0.117033,0.0417484,0.0260359,0.0118649],[0.0109648,0.00720885,0.00499198,0.00277644],[-0.0141247,-0.00705341,-0.00398954,-0.00144379]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.51
S298 (cal/mol*K) = -0.98
G298 (kcal/mol) = 44.80

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(839); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>CH3(423)+C6H8(839)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.330e+01 -2.135e-01 -1.361e-01 -6.504e-02 / CHEB/ 1.753e+01 1.040e-01 6.467e-02 2.980e-02 / CHEB/ 3.846e-01 3.702e-02 2.316e-02 1.037e-02 / CHEB/ 1.170e-01 4.175e-02 2.604e-02 1.186e-02 / CHEB/ 1.096e-02 7.209e-03 4.992e-03 2.776e-03 / CHEB/ -1.412e-02 -7.053e-03 -3.990e-03 -1.444e-03 /

5106.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.1	-11.7	-6.9	-4.4
log₁₀(k(10 bar)/[mole,m,s])	-25.2	-11.8	-6.9	-4.4

Chebyshev(coeffs=[[-17.7413,-0.194915,-0.1252,-0.060597],[18.7571,0.0954996,0.0599519,0.027982],[0.440458,0.0345551,0.0218587,0.0100485],[0.13045,0.0384073,0.0241972,0.0112473],[0.0165341,0.00613969,0.00429195,0.00241727],[-0.0110465,-0.00676241,-0.00389301,-0.00147019]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.79
S298 (cal/mol*K) = -12.70
G298 (kcal/mol) = 60.57

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(840); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(840)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.774e+01 -1.949e-01 -1.252e-01 -6.060e-02 / CHEB/ 1.876e+01 9.550e-02 5.995e-02 2.798e-02 / CHEB/ 4.405e-01 3.456e-02 2.186e-02 1.005e-02 / CHEB/ 1.304e-01 3.841e-02 2.420e-02 1.125e-02 / CHEB/ 1.653e-02 6.140e-03 4.292e-03 2.417e-03 / CHEB/ -1.105e-02 -6.762e-03 -3.893e-03 -1.470e-03 /

5108.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+2.7	+3.7	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+1.7	+3.2	+3.5

Chebyshev(coeffs=[[4.58276,-2.55959,-0.466744,-0.00581069],[5.01324,1.71779,0.0388457,-0.0993179],[0.361687,0.374147,0.105612,0.0102986],[-0.224109,0.00813636,0.0465411,0.00394751],[-0.153843,-0.0306739,0.0281094,0.00592717],[-0.0584211,-0.018023,0.0056772,0.00762333]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -98.40
S298 (cal/mol*K) = -46.61
G298 (kcal/mol) = -84.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(841); C5H6(62), C7H10(841); C2H4(115)+C5H6(62)(+M)=>C7H10(841)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.583e+00 -2.560e+00 -4.667e-01 -5.811e-03 / CHEB/ 5.013e+00 1.718e+00 3.885e-02 -9.932e-02 / CHEB/ 3.617e-01 3.741e-01 1.056e-01 1.030e-02 / CHEB/ -2.241e-01 8.136e-03 4.654e-02 3.948e-03 / CHEB/ -1.538e-01 -3.067e-02 2.811e-02 5.927e-03 / CHEB/ -5.842e-02 -1.802e-02 5.677e-03 7.623e-03 /

5113.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	-0.6	-0.3	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-1.7	-0.9	-0.4	-0.2

Chebyshev(coeffs=[[4.50644,-0.610909,-0.346178,-0.129282],[1.06851,0.257206,0.144642,0.0526567],[0.172099,0.146133,0.0729779,0.0193168],[0.0585741,0.109514,0.0563097,0.0158506],[0.00518122,0.0230591,0.0161972,0.00806216],[-0.013852,-0.0141809,-0.00404787,0.00153917]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.00
S298 (cal/mol*K) = -35.11
G298 (kcal/mol) = -21.54

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(397); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(397)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.506e+00 -6.109e-01 -3.462e-01 -1.293e-01 / CHEB/ 1.069e+00 2.572e-01 1.446e-01 5.266e-02 / CHEB/ 1.721e-01 1.461e-01 7.298e-02 1.932e-02 / CHEB/ 5.857e-02 1.095e-01 5.631e-02 1.585e-02 / CHEB/ 5.181e-03 2.306e-02 1.620e-02 8.062e-03 / CHEB/ -1.385e-02 -1.418e-02 -4.048e-03 1.539e-03 /

5114.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	-0.7	-0.4	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-1.9	-1.0	-0.5	-0.3

Chebyshev(coeffs=[[4.37989,-0.610085,-0.345753,-0.12916],[1.08992,0.25755,0.144809,0.0526961],[0.178117,0.145848,0.0728424,0.0192857],[0.0595733,0.109176,0.0561692,0.0158394],[0.00517217,0.0228752,0.0161226,0.00806016],[-0.0139091,-0.0142223,-0.00407206,0.00153227]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.64
S298 (cal/mol*K) = -37.69
G298 (kcal/mol) = -19.41

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(21); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>C7H10(21)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.380e+00 -6.101e-01 -3.458e-01 -1.292e-01 / CHEB/ 1.090e+00 2.575e-01 1.448e-01 5.270e-02 / CHEB/ 1.781e-01 1.458e-01 7.284e-02 1.929e-02 / CHEB/ 5.957e-02 1.092e-01 5.617e-02 1.584e-02 / CHEB/ 5.172e-03 2.288e-02 1.612e-02 8.060e-03 / CHEB/ -1.391e-02 -1.422e-02 -4.072e-03 1.532e-03 /

5115.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	-2.1	-1.7	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-3.6	-2.4	-1.9	-1.6

Chebyshev(coeffs=[[2.76695,-0.601395,-0.341296,-0.127905],[1.33721,0.259059,0.145388,0.0526925],[0.23258,0.141602,0.0707158,0.0186981],[0.0567888,0.105564,0.0546395,0.0156827],[-0.00450188,0.021386,0.0155335,0.00806428],[-0.0177972,-0.0142573,-0.00414968,0.00148088]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.77
S298 (cal/mol*K) = -56.42
G298 (kcal/mol) = -46.96

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(398); C2H4(72), C7H11(398); C5H7(210)+C2H4(72)(+M)=>C7H11(398)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.767e+00 -6.014e-01 -3.413e-01 -1.279e-01 / CHEB/ 1.337e+00 2.591e-01 1.454e-01 5.269e-02 / CHEB/ 2.326e-01 1.416e-01 7.072e-02 1.870e-02 / CHEB/ 5.679e-02 1.056e-01 5.464e-02 1.568e-02 / CHEB/ -4.502e-03 2.139e-02 1.553e-02 8.064e-03 / CHEB/ -1.780e-02 -1.426e-02 -4.150e-03 1.481e-03 /

5116.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	-0.6	-0.4	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-1.7	-0.9	-0.5	-0.3

Chebyshev(coeffs=[[4.51486,-0.615221,-0.348406,-0.129926],[0.957897,0.255037,0.143562,0.0523773],[0.138278,0.147381,0.0735489,0.0194297],[0.0514344,0.111244,0.0570192,0.0158977],[0.00429742,0.0240817,0.016612,0.00807395],[-0.013934,-0.0138921,-0.0038909,0.00157771]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.47
S298 (cal/mol*K) = -57.15
G298 (kcal/mol) = -51.44

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(399); C2H4(72), C7H11(399); C5H7(210)+C2H4(72)(+M)=>C7H11(399)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.515e+00 -6.152e-01 -3.484e-01 -1.299e-01 / CHEB/ 9.579e-01 2.550e-01 1.436e-01 5.238e-02 / CHEB/ 1.383e-01 1.474e-01 7.355e-02 1.943e-02 / CHEB/ 5.143e-02 1.112e-01 5.702e-02 1.590e-02 / CHEB/ 4.297e-03 2.408e-02 1.661e-02 8.074e-03 / CHEB/ -1.393e-02 -1.389e-02 -3.891e-03 1.578e-03 /

5117.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	-0.4	-0.7	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-0.9	-0.8	-0.8	-0.9

Chebyshev(coeffs=[[5.02637,-0.646961,-0.364676,-0.134509],[0.19345,0.233743,0.132904,0.0495773],[-0.129056,0.153404,0.0760604,0.0197139],[-0.0195127,0.123928,0.0621126,0.0161433],[-0.00994659,0.0328043,0.020098,0.00815605],[-0.0167371,-0.0106715,-0.00233686,0.00183679]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.87
S298 (cal/mol*K) = -58.53
G298 (kcal/mol) = -49.43

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(400); C2H4(72), C7H11(400); C5H7(210)+C2H4(72)(+M)=>C7H11(400)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.026e+00 -6.470e-01 -3.647e-01 -1.345e-01 / CHEB/ 1.935e-01 2.337e-01 1.329e-01 4.958e-02 / CHEB/ -1.291e-01 1.534e-01 7.606e-02 1.971e-02 / CHEB/ -1.951e-02 1.239e-01 6.211e-02 1.614e-02 / CHEB/ -9.947e-03 3.280e-02 2.010e-02 8.156e-03 / CHEB/ -1.674e-02 -1.067e-02 -2.337e-03 1.837e-03 /

5118.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.3	-10.1	-7.0	-5.4
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-10.2	-7.1	-5.5

Chebyshev(coeffs=[[-11.5556,-0.277609,-0.167363,-0.0710005],[11.6095,0.114796,0.0652215,0.0237764],[0.319615,0.087373,0.0488777,0.0173376],[0.137403,0.0476716,0.0296557,0.0134312],[0.0244035,0.000488587,0.00365098,0.00451159],[-0.00803536,-0.0114908,-0.00540142,-0.000930533]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.23
S298 (cal/mol*K) = -24.49
G298 (kcal/mol) = 42.53

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(48); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.156e+01 -2.776e-01 -1.674e-01 -7.100e-02 / CHEB/ 1.161e+01 1.148e-01 6.522e-02 2.378e-02 / CHEB/ 3.196e-01 8.737e-02 4.888e-02 1.734e-02 / CHEB/ 1.374e-01 4.767e-02 2.966e-02 1.343e-02 / CHEB/ 2.440e-02 4.886e-04 3.651e-03 4.512e-03 / CHEB/ -8.035e-03 -1.149e-02 -5.401e-03 -9.305e-04 /

5119.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-9.4	-6.3	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-17.9	-9.5	-6.4	-4.7

Chebyshev(coeffs=[[-10.9268,-0.277609,-0.167363,-0.0710005],[11.7215,0.114796,0.0652215,0.0237764],[0.344357,0.087373,0.0488777,0.0173376],[0.144688,0.0476716,0.0296557,0.0134312],[0.0268154,0.000488587,0.00365098,0.00451159],[-0.00718565,-0.0114908,-0.00540142,-0.000930533]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.23
S298 (cal/mol*K) = -24.49
G298 (kcal/mol) = 42.53

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(49); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.093e+01 -2.776e-01 -1.674e-01 -7.100e-02 / CHEB/ 1.172e+01 1.148e-01 6.522e-02 2.378e-02 / CHEB/ 3.444e-01 8.737e-02 4.888e-02 1.734e-02 / CHEB/ 1.447e-01 4.767e-02 2.966e-02 1.343e-02 / CHEB/ 2.682e-02 4.886e-04 3.651e-03 4.512e-03 / CHEB/ -7.186e-03 -1.149e-02 -5.401e-03 -9.305e-04 /

5120.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-8.8	-6.0	-4.5
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-8.9	-6.1	-4.5

Chebyshev(coeffs=[[-9.4238,-0.308928,-0.183881,-0.0759985],[10.328,0.132366,0.0740826,0.0260598],[0.3924,0.0942681,0.0518299,0.0176176],[0.148677,0.0519694,0.0319757,0.0141558],[0.0250024,0.00110499,0.00442794,0.0051057],[-0.00791655,-0.0123868,-0.00563425,-0.000789106]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.53
S298 (cal/mol*K) = -25.22
G298 (kcal/mol) = 38.05

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(50); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.424e+00 -3.089e-01 -1.839e-01 -7.600e-02 / CHEB/ 1.033e+01 1.324e-01 7.408e-02 2.606e-02 / CHEB/ 3.924e-01 9.427e-02 5.183e-02 1.762e-02 / CHEB/ 1.487e-01 5.197e-02 3.198e-02 1.416e-02 / CHEB/ 2.500e-02 1.105e-03 4.428e-03 5.106e-03 / CHEB/ -7.917e-03 -1.239e-02 -5.634e-03 -7.891e-04 /

5121.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-8.8	-6.0	-4.5
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-8.9	-6.1	-4.5

H298 (kcal/mol) = 30.53
S298 (cal/mol*K) = -25.22
G298 (kcal/mol) = 38.05

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(51); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.424e+00 -3.089e-01 -1.839e-01 -7.600e-02 / CHEB/ 1.033e+01 1.324e-01 7.408e-02 2.606e-02 / CHEB/ 3.924e-01 9.427e-02 5.183e-02 1.762e-02 / CHEB/ 1.487e-01 5.197e-02 3.198e-02 1.416e-02 / CHEB/ 2.500e-02 1.105e-03 4.428e-03 5.106e-03 / CHEB/ -7.917e-03 -1.239e-02 -5.634e-03 -7.891e-04 /

5122.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.8	-9.1	-6.2	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-9.2	-6.3	-4.7

Chebyshev(coeffs=[[-10.0254,-0.298443,-0.178357,-0.0743236],[10.7808,0.126291,0.0710004,0.0252373],[0.374951,0.0921407,0.0509416,0.0175556],[0.148267,0.0505797,0.0312349,0.0139348],[0.0259284,0.000859987,0.00415493,0.00491207],[-0.0077755,-0.0121019,-0.00556367,-0.000837527]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.13
S298 (cal/mol*K) = -25.22
G298 (kcal/mol) = 39.65

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(52); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.003e+01 -2.984e-01 -1.784e-01 -7.432e-02 / CHEB/ 1.078e+01 1.263e-01 7.100e-02 2.524e-02 / CHEB/ 3.750e-01 9.214e-02 5.094e-02 1.756e-02 / CHEB/ 1.483e-01 5.058e-02 3.123e-02 1.393e-02 / CHEB/ 2.593e-02 8.600e-04 4.155e-03 4.912e-03 / CHEB/ -7.775e-03 -1.210e-02 -5.564e-03 -8.375e-04 /

5123.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-8.8	-5.9	-4.4
log₁₀(k(10 bar)/[mole,m,s])	-16.7	-9.0	-6.0	-4.4

Chebyshev(coeffs=[[-9.72338,-0.301612,-0.180027,-0.0748294],[10.7482,0.128049,0.0718881,0.025469],[0.40276,0.0928422,0.0512407,0.0175832],[0.155609,0.0510269,0.0314736,0.0140067],[0.0280521,0.000921289,0.00423225,0.00497055],[-0.00707427,-0.0121931,-0.00558675,-0.000822581]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.63
S298 (cal/mol*K) = -26.60
G298 (kcal/mol) = 39.56

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(401); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(401)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.723e+00 -3.016e-01 -1.800e-01 -7.483e-02 / CHEB/ 1.075e+01 1.280e-01 7.189e-02 2.547e-02 / CHEB/ 4.028e-01 9.284e-02 5.124e-02 1.758e-02 / CHEB/ 1.556e-01 5.103e-02 3.147e-02 1.401e-02 / CHEB/ 2.805e-02 9.213e-04 4.232e-03 4.971e-03 / CHEB/ -7.074e-03 -1.219e-02 -5.587e-03 -8.226e-04 /

5124.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.0	-13.6	-9.7	-7.7
log₁₀(k(10 bar)/[mole,m,s])	-24.2	-13.7	-9.8	-7.7

Chebyshev(coeffs=[[-16.9974,-0.223766,-0.138423,-0.0618814],[14.7241,0.0904823,0.0532543,0.021148],[0.398723,0.0728175,0.0422561,0.0163601],[0.163046,0.0388298,0.0246893,0.0116729],[0.037641,-0.000798073,0.00203052,0.00318811],[-0.00156911,-0.00991729,-0.00501678,-0.00123075]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.93
S298 (cal/mol*K) = -34.24
G298 (kcal/mol) = 55.14

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(403); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(403)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.700e+01 -2.238e-01 -1.384e-01 -6.188e-02 / CHEB/ 1.472e+01 9.048e-02 5.325e-02 2.115e-02 / CHEB/ 3.987e-01 7.282e-02 4.226e-02 1.636e-02 / CHEB/ 1.630e-01 3.883e-02 2.469e-02 1.167e-02 / CHEB/ 3.764e-02 -7.981e-04 2.031e-03 3.188e-03 / CHEB/ -1.569e-03 -9.917e-03 -5.017e-03 -1.231e-03 /

5127.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+1.5	+2.4	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+0.7	+1.9	+2.2

Chebyshev(coeffs=[[3.88773,-2.0156,-0.299715,0.0200885],[4.45011,1.14121,-0.144741,-0.0964129],[0.327675,0.379608,0.121971,-0.012614],[-0.21188,0.0235412,0.0774204,0.0187212],[-0.117935,-0.00310713,0.0244235,0.0100247],[-0.0426529,0.0170399,0.00601104,0.00130759]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.52
S298 (cal/mol*K) = -1.48
G298 (kcal/mol) = -2.08

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H7(585); C2H4(115), CH3(423); C2H4(115)+C5H6(62)(+M)=>CH3(423)+C6H7(585)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.888e+00 -2.016e+00 -2.997e-01 2.009e-02 / CHEB/ 4.450e+00 1.141e+00 -1.447e-01 -9.641e-02 / CHEB/ 3.277e-01 3.796e-01 1.220e-01 -1.261e-02 / CHEB/ -2.119e-01 2.354e-02 7.742e-02 1.872e-02 / CHEB/ -1.179e-01 -3.107e-03 2.442e-02 1.002e-02 / CHEB/ -4.265e-02 1.704e-02 6.011e-03 1.308e-03 /

5128.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-3.6	-1.5	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-4.1	-1.7	-0.9

Chebyshev(coeffs=[[-5.09088,-1.54716,-0.440083,-0.00981235],[10.5498,1.14636,0.144781,-0.095394],[0.0151106,0.208243,0.131969,0.0225169],[-0.197375,-0.0389954,0.0356915,0.0290377],[-0.114864,-0.00315619,0.00335755,0.00836995],[-0.0487922,0.0187387,0.00260467,-0.000592068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.25
S298 (cal/mol*K) = 4.18
G298 (kcal/mol) = 29.00

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H5(586); C2H4(115), C2H5(419); C2H4(115)+C5H6(62)(+M)=>C5H5(586)+C2H5(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.091e+00 -1.547e+00 -4.401e-01 -9.812e-03 / CHEB/ 1.055e+01 1.146e+00 1.448e-01 -9.539e-02 / CHEB/ 1.511e-02 2.082e-01 1.320e-01 2.252e-02 / CHEB/ -1.974e-01 -3.900e-02 3.569e-02 2.904e-02 / CHEB/ -1.149e-01 -3.156e-03 3.358e-03 8.370e-03 / CHEB/ -4.879e-02 1.874e-02 2.605e-03 -5.921e-04 /

5129.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-7.8	-4.8	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-8.2	-5.0	-3.7

Chebyshev(coeffs=[[-11.0233,-1.36457,-0.460554,-0.0290273],[13.4434,1.04351,0.215442,-0.0748838],[0.144177,0.173558,0.11692,0.030784],[-0.136865,-0.0427381,0.0214616,0.027049],[-0.089028,-0.000426722,0.00103026,0.00527764],[-0.0386845,0.0176772,0.00342345,-0.000958588]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.93
S298 (cal/mol*K) = -9.46
G298 (kcal/mol) = 41.74

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(587); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(587)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.102e+01 -1.365e+00 -4.606e-01 -2.903e-02 / CHEB/ 1.344e+01 1.044e+00 2.154e-01 -7.488e-02 / CHEB/ 1.442e-01 1.736e-01 1.169e-01 3.078e-02 / CHEB/ -1.369e-01 -4.274e-02 2.146e-02 2.705e-02 / CHEB/ -8.903e-02 -4.267e-04 1.030e-03 5.278e-03 / CHEB/ -3.868e-02 1.768e-02 3.423e-03 -9.586e-04 /

5130.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-1.9	+0.0	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-2.5	-0.3	+0.5

Chebyshev(coeffs=[[-2.48756,-1.70718,-0.405623,0.000664311],[9.14028,1.21553,0.0637329,-0.101311],[0.180532,0.246549,0.140933,0.011838],[-0.176423,-0.0319744,0.0499297,0.0280564],[-0.111267,-0.00560717,0.00719611,0.0109785],[-0.047173,0.0190617,0.00223909,0.000333909]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.84
S298 (cal/mol*K) = 4.89
G298 (kcal/mol) = 21.38

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H7(439); C2H4(115), C3H3(588); C2H4(115)+C5H6(62)(+M)=>C3H3(588)+C4H7(439)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.488e+00 -1.707e+00 -4.056e-01 6.643e-04 / CHEB/ 9.140e+00 1.216e+00 6.373e-02 -1.013e-01 / CHEB/ 1.805e-01 2.465e-01 1.409e-01 1.184e-02 / CHEB/ -1.764e-01 -3.197e-02 4.993e-02 2.806e-02 / CHEB/ -1.113e-01 -5.607e-03 7.196e-03 1.098e-02 / CHEB/ -4.717e-02 1.906e-02 2.239e-03 3.339e-04 /

5131.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-4.4	-1.2	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-4.9	-1.4	+0.4

Chebyshev(coeffs=[[-6.2812,-1.54437,-0.433105,-0.0132065],[11.9004,1.1818,0.142352,-0.10237],[0.657272,0.220548,0.131411,0.0169556],[0.112554,-0.0653213,0.0278601,0.0282342],[0.0295277,-0.0370165,-0.00906362,0.0087269],[0.00618432,-0.000338041,-0.00574183,-0.00081313]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.73
S298 (cal/mol*K) = -10.56
G298 (kcal/mol) = 32.87

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(589); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(589)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.281e+00 -1.544e+00 -4.331e-01 -1.321e-02 / CHEB/ 1.190e+01 1.182e+00 1.424e-01 -1.024e-01 / CHEB/ 6.573e-01 2.205e-01 1.314e-01 1.696e-02 / CHEB/ 1.126e-01 -6.532e-02 2.786e-02 2.823e-02 / CHEB/ 2.953e-02 -3.702e-02 -9.064e-03 8.727e-03 / CHEB/ 6.184e-03 -3.380e-04 -5.742e-03 -8.131e-04 /

5132.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-2.6	-0.7	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-3.2	-1.0	-0.2

Chebyshev(coeffs=[[-2.60163,-1.82032,-0.372327,0.00498242],[8.32848,1.23918,-0.00463685,-0.0992761],[0.386156,0.283468,0.14276,0.00309665],[-0.144634,-0.0226239,0.060813,0.0254885],[-0.101079,-0.00716632,0.0115017,0.0121396],[-0.042222,0.01883,0.00249382,0.00126595]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.64
S298 (cal/mol*K) = -8.58
G298 (kcal/mol) = 20.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(590); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(590)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.602e+00 -1.820e+00 -3.723e-01 4.982e-03 / CHEB/ 8.328e+00 1.239e+00 -4.637e-03 -9.928e-02 / CHEB/ 3.862e-01 2.835e-01 1.428e-01 3.097e-03 / CHEB/ -1.446e-01 -2.262e-02 6.081e-02 2.549e-02 / CHEB/ -1.011e-01 -7.166e-03 1.150e-02 1.214e-02 / CHEB/ -4.222e-02 1.883e-02 2.494e-03 1.266e-03 /

5133.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-4.2	-2.2	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-4.8	-2.6	-1.7

Chebyshev(coeffs=[[-4.32631,-1.79586,-0.376221,0.00408359],[8.55764,1.24706,0.00921048,-0.0996927],[0.388943,0.277032,0.14526,0.00503438],[-0.134984,-0.0264838,0.0589734,0.0265036],[-0.0964167,-0.00824032,0.00983238,0.012172],[-0.0248891,0.0178374,0.0019779,0.00107925]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.49
S298 (cal/mol*K) = -14.52
G298 (kcal/mol) = 22.81

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(591); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(591)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.326e+00 -1.796e+00 -3.762e-01 4.084e-03 / CHEB/ 8.558e+00 1.247e+00 9.210e-03 -9.969e-02 / CHEB/ 3.889e-01 2.770e-01 1.453e-01 5.034e-03 / CHEB/ -1.350e-01 -2.648e-02 5.897e-02 2.650e-02 / CHEB/ -9.642e-02 -8.240e-03 9.832e-03 1.217e-02 / CHEB/ -2.489e-02 1.784e-02 1.978e-03 1.079e-03 /

5134.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-4.0	-1.7	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-4.6	-1.9	-0.6

Chebyshev(coeffs=[[-3.59936,-1.80603,-0.358873,0.000706231],[8.25778,1.28979,-0.00481692,-0.10675],[0.684071,0.31133,0.144106,-0.00342297],[0.0541614,-0.0405515,0.0562307,0.0239106],[0.0161876,-0.042208,0.00119229,0.0131681],[0.0163997,-0.0063351,-0.00668577,0.00205928]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.85
S298 (cal/mol*K) = -27.69
G298 (kcal/mol) = 17.10

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(592); C5H6(62), C7H10(592); C2H4(115)+C5H6(62)(+M)=>C7H10(592)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.599e+00 -1.806e+00 -3.589e-01 7.062e-04 / CHEB/ 8.258e+00 1.290e+00 -4.817e-03 -1.068e-01 / CHEB/ 6.841e-01 3.113e-01 1.441e-01 -3.423e-03 / CHEB/ 5.416e-02 -4.055e-02 5.623e-02 2.391e-02 / CHEB/ 1.619e-02 -4.221e-02 1.192e-03 1.317e-02 / CHEB/ 1.640e-02 -6.335e-03 -6.686e-03 2.059e-03 /

5135.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+1.6	+2.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+0.7	+1.9	+2.3

Chebyshev(coeffs=[[4.264,-2.05105,-0.289428,0.0241037],[4.07682,1.09924,-0.16523,-0.0947348],[0.33594,0.391809,0.111424,-0.0164386],[-0.195919,0.0391608,0.0785282,0.0174363],[-0.113418,0.00145872,0.0270103,0.00943847],[-0.0397224,0.017042,0.00719849,0.000645164]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.97
S298 (cal/mol*K) = -26.19
G298 (kcal/mol) = -6.17

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(593); C5H6(62), C7H10(593); C2H4(115)+C5H6(62)(+M)=>C7H10(593)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.264e+00 -2.051e+00 -2.894e-01 2.410e-02 / CHEB/ 4.077e+00 1.099e+00 -1.652e-01 -9.473e-02 / CHEB/ 3.359e-01 3.918e-01 1.114e-01 -1.644e-02 / CHEB/ -1.959e-01 3.916e-02 7.853e-02 1.744e-02 / CHEB/ -1.134e-01 1.459e-03 2.701e-02 9.438e-03 / CHEB/ -3.972e-02 1.704e-02 7.198e-03 6.452e-04 /

5136.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-5.0	-2.8	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-5.6	-3.1	-2.1

Chebyshev(coeffs=[[-6.10628,-1.68836,-0.410446,-0.000231753],[10.0192,1.20901,0.0741866,-0.101236],[0.315549,0.241409,0.140184,0.0132348],[-0.132784,-0.0330807,0.0481774,0.0283262],[-0.0965496,-0.0053245,0.00663121,0.0107052],[-0.0421163,0.0190596,0.00224956,0.000196618]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.85
S298 (cal/mol*K) = -27.69
G298 (kcal/mol) = 17.10

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(594); C5H6(62), C7H10(594); C2H4(115)+C5H6(62)(+M)=>C7H10(594)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.106e+00 -1.688e+00 -4.104e-01 -2.318e-04 / CHEB/ 1.002e+01 1.209e+00 7.419e-02 -1.012e-01 / CHEB/ 3.155e-01 2.414e-01 1.402e-01 1.323e-02 / CHEB/ -1.328e-01 -3.308e-02 4.818e-02 2.833e-02 / CHEB/ -9.655e-02 -5.325e-03 6.631e-03 1.071e-02 / CHEB/ -4.212e-02 1.906e-02 2.250e-03 1.966e-04 /

5137.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-3.7	-2.3	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-4.4	-2.7	-2.1

Chebyshev(coeffs=[[-2.47381,-1.93029,-0.33223,0.0111448],[6.34601,1.21533,-0.0823095,-0.097228],[0.399347,0.334797,0.137304,-0.00506654],[-0.179503,-0.00463782,0.0713055,0.0216257],[-0.109214,-0.00745088,0.0178905,0.0116976],[-0.0426267,0.0180095,0.00375688,0.00195506]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.85
S298 (cal/mol*K) = -24.29
G298 (kcal/mol) = 9.09

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(595); C5H6(62), C7H10(595); C2H4(115)+C5H6(62)(+M)=>C7H10(595)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.474e+00 -1.930e+00 -3.322e-01 1.114e-02 / CHEB/ 6.346e+00 1.215e+00 -8.231e-02 -9.723e-02 / CHEB/ 3.993e-01 3.348e-01 1.373e-01 -5.067e-03 / CHEB/ -1.795e-01 -4.638e-03 7.131e-02 2.163e-02 / CHEB/ -1.092e-01 -7.451e-03 1.789e-02 1.170e-02 / CHEB/ -4.263e-02 1.801e-02 3.757e-03 1.955e-03 /

5138.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-4.4	-3.0	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-5.2	-3.5	-2.9

Chebyshev(coeffs=[[-2.69298,-1.98647,-0.309971,0.0168073],[5.66022,1.17184,-0.124855,-0.0970848],[0.491021,0.365755,0.128898,-0.00968259],[-0.166365,0.012105,0.0757085,0.0196541],[-0.102647,-0.00545319,0.0221657,0.0106272],[-0.0384922,0.0173197,0.00511414,0.00171345]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.55
S298 (cal/mol*K) = -33.58
G298 (kcal/mol) = 2.46

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(596); C5H6(62), C7H10(596); C2H4(115)+C5H6(62)(+M)=>C7H10(596)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.693e+00 -1.986e+00 -3.100e-01 1.681e-02 / CHEB/ 5.660e+00 1.172e+00 -1.249e-01 -9.708e-02 / CHEB/ 4.910e-01 3.658e-01 1.289e-01 -9.683e-03 / CHEB/ -1.664e-01 1.211e-02 7.571e-02 1.965e-02 / CHEB/ -1.026e-01 -5.453e-03 2.217e-02 1.063e-02 / CHEB/ -3.849e-02 1.732e-02 5.114e-03 1.713e-03 /

5139.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-2.5	-1.5	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-3.4	-2.0	-1.6

Chebyshev(coeffs=[[-0.288893,-2.02067,-0.298091,0.020664],[4.7244,1.13548,-0.14793,-0.09623],[0.40373,0.381699,0.120585,-0.013153],[-0.188186,0.0256913,0.0776557,0.0185525],[-0.110207,-0.0025768,0.0248077,0.00992939],[-0.0397146,0.0170095,0.00617598,0.00122062]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.72
S298 (cal/mol*K) = -28.77
G298 (kcal/mol) = -3.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(597); C5H6(62), C7H10(597); C2H4(115)+C5H6(62)(+M)=>C7H10(597)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.889e-01 -2.021e+00 -2.981e-01 2.066e-02 / CHEB/ 4.724e+00 1.135e+00 -1.479e-01 -9.623e-02 / CHEB/ 4.037e-01 3.817e-01 1.206e-01 -1.315e-02 / CHEB/ -1.882e-01 2.569e-02 7.766e-02 1.855e-02 / CHEB/ -1.102e-01 -2.577e-03 2.481e-02 9.929e-03 / CHEB/ -3.971e-02 1.701e-02 6.176e-03 1.221e-03 /

5140.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-4.1	-2.8	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-4.9	-3.3	-2.7

Chebyshev(coeffs=[[-2.56574,-1.9702,-0.316251,0.015031],[5.76852,1.18681,-0.112812,-0.0972125],[0.447948,0.357013,0.131951,-0.00821118],[-0.176993,0.00652348,0.074555,0.0201882],[-0.106536,-0.00631755,0.0208902,0.0109748],[-0.0404672,0.0175203,0.00466463,0.00185581]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.65
S298 (cal/mol*K) = -32.48
G298 (kcal/mol) = 11.33

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(598); C5H6(62), C7H10(598); C2H4(115)+C5H6(62)(+M)=>C7H10(598)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.566e+00 -1.970e+00 -3.163e-01 1.503e-02 / CHEB/ 5.769e+00 1.187e+00 -1.128e-01 -9.721e-02 / CHEB/ 4.479e-01 3.570e-01 1.320e-01 -8.211e-03 / CHEB/ -1.770e-01 6.523e-03 7.455e-02 2.019e-02 / CHEB/ -1.065e-01 -6.318e-03 2.089e-02 1.097e-02 / CHEB/ -4.047e-02 1.752e-02 4.665e-03 1.856e-03 /

5141.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-1.8	-1.0	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-2.8	-1.6	-1.3

Chebyshev(coeffs=[[1.14782,-2.10204,-0.27844,0.0298355],[3.63893,1.03297,-0.188157,-0.0909045],[0.303385,0.399007,0.0941835,-0.0216719],[-0.175472,0.0619613,0.0775317,0.0150364],[-0.105127,0.0115137,0.0300333,0.00883621],[-0.0355293,0.0184478,0.00897385,-0.000309253]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.10
S298 (cal/mol*K) = -35.13
G298 (kcal/mol) = -12.63

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(599); C5H6(62), C7H10(599); C2H4(115)+C5H6(62)(+M)=>C7H10(599)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.148e+00 -2.102e+00 -2.784e-01 2.984e-02 / CHEB/ 3.639e+00 1.033e+00 -1.882e-01 -9.090e-02 / CHEB/ 3.034e-01 3.990e-01 9.418e-02 -2.167e-02 / CHEB/ -1.755e-01 6.196e-02 7.753e-02 1.504e-02 / CHEB/ -1.051e-01 1.151e-02 3.003e-02 8.836e-03 / CHEB/ -3.553e-02 1.845e-02 8.974e-03 -3.093e-04 /

5142.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-6.5	-3.9	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-16.7	-6.9	-4.1	-3.0

Chebyshev(coeffs=[[-9.30632,-1.38286,-0.459455,-0.0268491],[12.6393,1.05452,0.209455,-0.0774773],[0.0172183,0.176794,0.118574,0.0301472],[-0.176213,-0.042507,0.0227834,0.0273738],[-0.102722,-0.000689101,0.00118397,0.00557198],[-0.0436573,0.0178123,0.00333586,-0.000953602]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.23
S298 (cal/mol*K) = -3.29
G298 (kcal/mol) = 38.21

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(600); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>CH2(137)+C6H8(600)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.306e+00 -1.383e+00 -4.595e-01 -2.685e-02 / CHEB/ 1.264e+01 1.055e+00 2.095e-01 -7.748e-02 / CHEB/ 1.722e-02 1.768e-01 1.186e-01 3.015e-02 / CHEB/ -1.762e-01 -4.251e-02 2.278e-02 2.737e-02 / CHEB/ -1.027e-01 -6.891e-04 1.184e-03 5.572e-03 / CHEB/ -4.366e-02 1.781e-02 3.336e-03 -9.536e-04 /

5143.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	-0.6	+0.1	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-5.5	-1.6	-0.5	-0.2

Chebyshev(coeffs=[[2.32453,-2.10264,-0.278332,0.0299023],[3.60608,1.03216,-0.188387,-0.0908515],[0.296535,0.39902,0.0939767,-0.0217285],[-0.177145,0.0622162,0.0775014,0.0150046],[-0.10563,0.0116521,0.0300615,0.00882987],[-0.0356986,0.0184771,0.00899435,-0.00031931]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.12
S298 (cal/mol*K) = -22.75
G298 (kcal/mol) = -11.33

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(601); C5H6(62), C7H10(601); C2H4(115)+C5H6(62)(+M)=>C7H10(601)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.325e+00 -2.103e+00 -2.783e-01 2.990e-02 / CHEB/ 3.606e+00 1.032e+00 -1.884e-01 -9.085e-02 / CHEB/ 2.965e-01 3.990e-01 9.398e-02 -2.173e-02 / CHEB/ -1.771e-01 6.222e-02 7.750e-02 1.500e-02 / CHEB/ -1.056e-01 1.165e-02 3.006e-02 8.830e-03 / CHEB/ -3.570e-02 1.848e-02 8.994e-03 -3.193e-04 /

5144.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	-0.5	+0.3	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-1.5	-0.3	+0.1

Chebyshev(coeffs=[[2.19795,-2.07907,-0.280871,0.0275611],[3.94335,1.06496,-0.178922,-0.0927056],[0.349422,0.401793,0.102101,-0.01982],[-0.1804,0.0547108,0.0791048,0.0162163],[-0.104971,0.0067361,0.0292088,0.00923644],[-0.031366,0.0165954,0.00813018,0.000139772]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.11
S298 (cal/mol*K) = -38.13
G298 (kcal/mol) = -55.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(602); C5H6(62), C7H10(602); C2H4(115)+C5H6(62)(+M)=>C7H10(602)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.198e+00 -2.079e+00 -2.809e-01 2.756e-02 / CHEB/ 3.943e+00 1.065e+00 -1.789e-01 -9.271e-02 / CHEB/ 3.494e-01 4.018e-01 1.021e-01 -1.982e-02 / CHEB/ -1.804e-01 5.471e-02 7.910e-02 1.622e-02 / CHEB/ -1.050e-01 6.736e-03 2.921e-02 9.236e-03 / CHEB/ -3.137e-02 1.660e-02 8.130e-03 1.398e-04 /

5145.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	+1.5	+3.3	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+0.8	+2.9	+3.8

Chebyshev(coeffs=[[1.82248,-1.8596,-0.352274,0.00669846],[7.75384,1.25098,-0.0350065,-0.0979493],[0.490381,0.304824,0.145517,0.00023349],[-0.134436,-0.0197951,0.0656502,0.0247013],[-0.0982986,-0.00944466,0.0129505,0.0124547],[-0.0413958,0.0180979,0.00232489,0.00158765]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.93
S298 (cal/mol*K) = -12.72
G298 (kcal/mol) = 12.73

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(603); C5H6(62), C7H10(603); C2H4(115)+C5H6(62)(+M)=>C7H10(603)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.822e+00 -1.860e+00 -3.523e-01 6.698e-03 / CHEB/ 7.754e+00 1.251e+00 -3.501e-02 -9.795e-02 / CHEB/ 4.904e-01 3.048e-01 1.455e-01 2.335e-04 / CHEB/ -1.344e-01 -1.980e-02 6.565e-02 2.470e-02 / CHEB/ -9.830e-02 -9.445e-03 1.295e-02 1.245e-02 / CHEB/ -4.140e-02 1.810e-02 2.325e-03 1.588e-03 /

5146.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	-0.4	+1.4	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-1.1	+1.0	+1.8

Chebyshev(coeffs=[[-0.0558832,-1.87083,-0.354913,0.00714788],[7.72127,1.23646,-0.0387374,-0.0979351],[0.448103,0.304731,0.141483,-0.000737433],[-0.143101,-0.0160404,0.0657544,0.0238345],[-0.0996099,-0.00761944,0.0140972,0.012205],[-0.0407113,0.0185484,0.00289039,0.00167124]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.93
S298 (cal/mol*K) = -12.72
G298 (kcal/mol) = 12.73

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(604); C5H6(62), C7H10(604); C2H4(115)+C5H6(62)(+M)=>C7H10(604)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.588e-02 -1.871e+00 -3.549e-01 7.148e-03 / CHEB/ 7.721e+00 1.236e+00 -3.874e-02 -9.794e-02 / CHEB/ 4.481e-01 3.047e-01 1.415e-01 -7.374e-04 / CHEB/ -1.431e-01 -1.604e-02 6.575e-02 2.383e-02 / CHEB/ -9.961e-02 -7.619e-03 1.410e-02 1.220e-02 / CHEB/ -4.071e-02 1.855e-02 2.890e-03 1.671e-03 /

5147.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-0.0	+1.6	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-0.8	+1.2	+2.3

Chebyshev(coeffs=[[1.94475,-1.94167,-0.302181,0.0101243],[5.66031,1.25135,-0.106836,-0.106517],[0.668024,0.393843,0.135754,-0.0152831],[-0.0114102,-0.00147856,0.0720852,0.018474],[-0.00013032,-0.0364669,0.0130114,0.0119192],[0.0209976,-0.00776782,-0.00353629,0.00279738]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.99
S298 (cal/mol*K) = -11.82
G298 (kcal/mol) = 0.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(605); C5H6(62), C7H10(605); C2H4(115)+C5H6(62)(+M)=>C7H10(605)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.945e+00 -1.942e+00 -3.022e-01 1.012e-02 / CHEB/ 5.660e+00 1.251e+00 -1.068e-01 -1.065e-01 / CHEB/ 6.680e-01 3.938e-01 1.358e-01 -1.528e-02 / CHEB/ -1.141e-02 -1.479e-03 7.209e-02 1.847e-02 / CHEB/ -1.303e-04 -3.647e-02 1.301e-02 1.192e-02 / CHEB/ 2.100e-02 -7.768e-03 -3.536e-03 2.797e-03 /

5148.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-4.4	-3.1	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-5.2	-3.5	-2.9

Chebyshev(coeffs=[[-3.21695,-1.91957,-0.336477,0.0102634],[6.31306,1.22092,-0.0741942,-0.0972623],[0.344513,0.328994,0.138335,-0.00428462],[-0.191705,-0.00708932,0.0703509,0.0220308],[-0.113792,-0.00757865,0.0171419,0.0118419],[-0.0445237,0.0181253,0.00356063,0.0019326]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.28
S298 (cal/mol*K) = -34.64
G298 (kcal/mol) = 6.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(606); C5H6(62), C7H10(606); C2H4(115)+C5H6(62)(+M)=>C7H10(606)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.217e+00 -1.920e+00 -3.365e-01 1.026e-02 / CHEB/ 6.313e+00 1.221e+00 -7.419e-02 -9.726e-02 / CHEB/ 3.445e-01 3.290e-01 1.383e-01 -4.285e-03 / CHEB/ -1.917e-01 -7.089e-03 7.035e-02 2.203e-02 / CHEB/ -1.138e-01 -7.579e-03 1.714e-02 1.184e-02 / CHEB/ -4.452e-02 1.813e-02 3.561e-03 1.933e-03 /

5149.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+2.6	+2.8	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+1.4	+2.0	+2.1

Chebyshev(coeffs=[[6.23222,-2.19989,-0.264609,0.0408862],[2.36918,0.89262,-0.217378,-0.080153],[0.000653005,0.380934,0.0613293,-0.0288795],[-0.213742,0.0951894,0.0678614,0.00924928],[-0.10379,0.03751,0.0316251,0.00751694],[-0.0313878,0.0279917,0.0116041,-0.00170407]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -73.60
S298 (cal/mol*K) = -50.59
G298 (kcal/mol) = -58.53

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(607); C5H6(62), C7H10(607); C2H4(115)+C5H6(62)(+M)=>C7H10(607)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.232e+00 -2.200e+00 -2.646e-01 4.089e-02 / CHEB/ 2.369e+00 8.926e-01 -2.174e-01 -8.015e-02 / CHEB/ 6.530e-04 3.809e-01 6.133e-02 -2.888e-02 / CHEB/ -2.137e-01 9.519e-02 6.786e-02 9.249e-03 / CHEB/ -1.038e-01 3.751e-02 3.163e-02 7.517e-03 / CHEB/ -3.139e-02 2.799e-02 1.160e-02 -1.704e-03 /

5153.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+3.3	+5.3	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+2.4	+4.8	+5.7

H298 (kcal/mol) = -65.98
S298 (cal/mol*K) = -36.49
G298 (kcal/mol) = -55.11

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(583); C2H3(100), C7H10(583); C5H7(210)+C2H3(100)(+M)=>C7H10(583)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.904e+00 -2.367e+00 -4.014e-01 1.075e-02 / CHEB/ 8.734e+00 1.522e+00 -3.072e-02 -8.100e-02 / CHEB/ 4.650e-01 4.114e-01 1.226e-01 -2.053e-02 / CHEB/ -1.793e-01 -1.696e-02 7.605e-02 1.263e-02 / CHEB/ -1.341e-01 -5.254e-02 1.055e-02 1.264e-02 / CHEB/ -3.601e-02 7.739e-03 -7.973e-03 2.239e-03 /

5154.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-1.2	+1.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-1.9	+1.3	+2.6

H298 (kcal/mol) = -18.57
S298 (cal/mol*K) = -34.30
G298 (kcal/mol) = -8.34

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(842); C2H3(100), C7H10(842); C5H7(210)+C2H3(100)(+M)=>C7H10(842)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.860e+00 -2.082e+00 -4.353e-01 5.637e-03 / CHEB/ 1.242e+01 1.474e+00 5.368e-02 -9.388e-02 / CHEB/ 3.260e-01 3.295e-01 1.444e-01 -8.855e-03 / CHEB/ -1.617e-01 -5.189e-02 5.952e-02 2.391e-02 / CHEB/ -1.096e-01 -4.956e-02 -3.656e-03 1.267e-02 / CHEB/ -2.374e-02 1.437e-02 -9.185e-03 -2.034e-03 /

5179.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	-2.1	-1.3	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-4.5	-2.7	-1.5	-1.0

Chebyshev(coeffs=[[2.33236,-1.15501,-0.590111,-0.180514],[1.96882,0.61935,0.295422,0.0718115],[0.597158,0.265327,0.134454,0.042183],[0.160857,0.158947,0.0756087,0.0180002],[-0.0125888,0.00197396,0.00549045,0.00483665],[-0.0400119,-0.0404987,-0.0172623,-0.00234142]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.84
S298 (cal/mol*K) = -49.75
G298 (kcal/mol) = -65.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(623); C2H4(72), C7H11(623); C5H7(210)+C2H4(72)(+M)=>C7H11(623)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.332e+00 -1.155e+00 -5.901e-01 -1.805e-01 / CHEB/ 1.969e+00 6.193e-01 2.954e-01 7.181e-02 / CHEB/ 5.972e-01 2.653e-01 1.345e-01 4.218e-02 / CHEB/ 1.609e-01 1.589e-01 7.561e-02 1.800e-02 / CHEB/ -1.259e-02 1.974e-03 5.490e-03 4.837e-03 / CHEB/ -4.001e-02 -4.050e-02 -1.726e-02 -2.341e-03 /

5180.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.2	+2.9	+3.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+2.3	+3.1	+3.5

Chebyshev(coeffs=[[7.85958,-1.20613,-0.610965,-0.182591],[1.12525,0.612299,0.291546,0.0694087],[0.412347,0.29135,0.144121,0.0425089],[0.15443,0.175607,0.0812263,0.0182835],[-0.00185604,0.00550307,0.00702522,0.00530921],[-0.0365278,-0.0424485,-0.0174082,-0.00181464]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -40.06
S298 (cal/mol*K) = -22.32
G298 (kcal/mol) = -33.41

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(808); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(808)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.860e+00 -1.206e+00 -6.110e-01 -1.826e-01 / CHEB/ 1.125e+00 6.123e-01 2.915e-01 6.941e-02 / CHEB/ 4.123e-01 2.914e-01 1.441e-01 4.251e-02 / CHEB/ 1.544e-01 1.756e-01 8.123e-02 1.828e-02 / CHEB/ -1.856e-03 5.503e-03 7.025e-03 5.309e-03 / CHEB/ -3.653e-02 -4.245e-02 -1.741e-02 -1.815e-03 /

5181.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.1	+4.3	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.4	+4.0	+4.2

Chebyshev(coeffs=[[9.19308,-1.23261,-0.622223,-0.184286],[0.707172,0.595997,0.283719,0.0669723],[0.262097,0.298009,0.145855,0.0417863],[0.113219,0.184894,0.0842172,0.0182239],[-0.011601,0.00995056,0.00870433,0.00560449],[-0.0395861,-0.041885,-0.0169532,-0.00144739]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -93.91
S298 (cal/mol*K) = -44.39
G298 (kcal/mol) = -80.69

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(843); C2H4(72), C7H11(843); C5H7(210)+C2H4(72)(+M)=>C7H11(843)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.193e+00 -1.233e+00 -6.222e-01 -1.843e-01 / CHEB/ 7.072e-01 5.960e-01 2.837e-01 6.697e-02 / CHEB/ 2.621e-01 2.980e-01 1.459e-01 4.179e-02 / CHEB/ 1.132e-01 1.849e-01 8.422e-02 1.822e-02 / CHEB/ -1.160e-02 9.951e-03 8.704e-03 5.604e-03 / CHEB/ -3.959e-02 -4.189e-02 -1.695e-02 -1.447e-03 /

5182.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+1.1	+2.0	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+0.6	+1.8	+2.4

Chebyshev(coeffs=[[5.59773,-1.15349,-0.589229,-0.180131],[1.99605,0.624465,0.297876,0.0724171],[0.628682,0.267027,0.135378,0.0425108],[0.177797,0.158151,0.0753811,0.0180583],[-0.00584627,0.000879621,0.00510446,0.00481345],[-0.0377207,-0.0410323,-0.0174576,-0.00236842]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.27
S298 (cal/mol*K) = -42.82
G298 (kcal/mol) = -47.51

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(844); C2H4(72), C7H11(844); C5H7(210)+C2H4(72)(+M)=>C7H11(844)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.598e+00 -1.153e+00 -5.892e-01 -1.801e-01 / CHEB/ 1.996e+00 6.245e-01 2.979e-01 7.242e-02 / CHEB/ 6.287e-01 2.670e-01 1.354e-01 4.251e-02 / CHEB/ 1.778e-01 1.582e-01 7.538e-02 1.806e-02 / CHEB/ -5.846e-03 8.796e-04 5.104e-03 4.813e-03 / CHEB/ -3.772e-02 -4.103e-02 -1.746e-02 -2.368e-03 /

5183.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.7	+4.7	+4.7	+4.6
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+4.1	+4.4	+4.5

Chebyshev(coeffs=[[10.0519,-1.25968,-0.633431,-0.1857],[0.28813,0.581206,0.276883,0.0649616],[0.122777,0.307028,0.148714,0.0413199],[0.0827966,0.195648,0.0878452,0.0182803],[-0.0142969,0.0146761,0.0105391,0.00596893],[-0.0391128,-0.0416251,-0.0165637,-0.0010194]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.47
S298 (cal/mol*K) = -43.92
G298 (kcal/mol) = -56.39

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(845); C2H4(72), C7H11(845); C5H7(210)+C2H4(72)(+M)=>C7H11(845)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.005e+01 -1.260e+00 -6.334e-01 -1.857e-01 / CHEB/ 2.881e-01 5.812e-01 2.769e-01 6.496e-02 / CHEB/ 1.228e-01 3.070e-01 1.487e-01 4.132e-02 / CHEB/ 8.280e-02 1.956e-01 8.785e-02 1.828e-02 / CHEB/ -1.430e-02 1.468e-02 1.054e-02 5.969e-03 / CHEB/ -3.911e-02 -4.163e-02 -1.656e-02 -1.019e-03 /

5184.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.7	+4.6	+4.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+4.0	+4.2	+4.3

Chebyshev(coeffs=[[10.0094,-1.26878,-0.637292,-0.186291],[0.154404,0.57425,0.273643,0.0640621],[0.0699163,0.308358,0.148893,0.0409819],[0.0662825,0.198782,0.0888352,0.018229],[-0.0186575,0.0165138,0.0112273,0.00608476],[-0.0403637,-0.0411977,-0.0163167,-0.000858147]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.47
S298 (cal/mol*K) = -43.92
G298 (kcal/mol) = -56.39

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(846); C2H4(72), C7H11(846); C5H7(210)+C2H4(72)(+M)=>C7H11(846)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.001e+01 -1.269e+00 -6.373e-01 -1.863e-01 / CHEB/ 1.544e-01 5.743e-01 2.736e-01 6.406e-02 / CHEB/ 6.992e-02 3.084e-01 1.489e-01 4.098e-02 / CHEB/ 6.628e-02 1.988e-01 8.884e-02 1.823e-02 / CHEB/ -1.866e-02 1.651e-02 1.123e-02 6.085e-03 / CHEB/ -4.036e-02 -4.120e-02 -1.632e-02 -8.581e-04 /

5185.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	-0.3	+0.8	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-2.8	-0.8	+0.5	+1.3

Chebyshev(coeffs=[[4.11177,-1.1402,-0.583222,-0.178896],[2.22968,0.635367,0.303336,0.0741565],[0.730753,0.265421,0.135377,0.0431022],[0.213747,0.153677,0.0739752,0.0181351],[0.00578989,-0.0018687,0.00407022,0.00469116],[-0.0333385,-0.041794,-0.0178536,-0.00250967]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.07
S298 (cal/mol*K) = -43.24
G298 (kcal/mol) = -45.19

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(847); C2H4(72), C7H11(847); C5H7(210)+C2H4(72)(+M)=>C7H11(847)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.112e+00 -1.140e+00 -5.832e-01 -1.789e-01 / CHEB/ 2.230e+00 6.354e-01 3.033e-01 7.416e-02 / CHEB/ 7.308e-01 2.654e-01 1.354e-01 4.310e-02 / CHEB/ 2.137e-01 1.537e-01 7.398e-02 1.814e-02 / CHEB/ 5.790e-03 -1.869e-03 4.070e-03 4.691e-03 / CHEB/ -3.334e-02 -4.179e-02 -1.785e-02 -2.510e-03 /

5186.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+0.7	+1.9	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-2.3	+0.2	+1.7	+2.4

Chebyshev(coeffs=[[4.75548,-1.10942,-0.570977,-0.178176],[2.74482,0.624223,0.298891,0.0745237],[0.768709,0.247172,0.127994,0.0421504],[0.181049,0.147928,0.0721579,0.0179731],[-0.0121379,-0.000900137,0.00423352,0.0045389],[-0.0380422,-0.0398068,-0.0174716,-0.0027274]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.91
S298 (cal/mol*K) = -16.33
G298 (kcal/mol) = -9.05

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(825); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(825)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.755e+00 -1.109e+00 -5.710e-01 -1.782e-01 / CHEB/ 2.745e+00 6.242e-01 2.989e-01 7.452e-02 / CHEB/ 7.687e-01 2.472e-01 1.280e-01 4.215e-02 / CHEB/ 1.810e-01 1.479e-01 7.216e-02 1.797e-02 / CHEB/ -1.214e-02 -9.001e-04 4.234e-03 4.539e-03 / CHEB/ -3.804e-02 -3.981e-02 -1.747e-02 -2.727e-03 /

5187.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-5.1	-1.7	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-5.4	-1.8	+0.1

Chebyshev(coeffs=[[-7.08247,-0.582494,-0.335029,-0.1353],[12.3161,0.308425,0.162986,0.0593405],[0.707417,0.155663,0.0942519,0.0364893],[0.196859,0.0907323,0.0535433,0.0216081],[0.0154495,-0.00653395,-0.00295622,0.000364316],[-0.0204655,-0.0271669,-0.0149899,-0.0052723]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.93
S298 (cal/mol*K) = -9.78
G298 (kcal/mol) = 35.84

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(151); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.082e+00 -5.825e-01 -3.350e-01 -1.353e-01 / CHEB/ 1.232e+01 3.084e-01 1.630e-01 5.934e-02 / CHEB/ 7.074e-01 1.557e-01 9.425e-02 3.649e-02 / CHEB/ 1.969e-01 9.073e-02 5.354e-02 2.161e-02 / CHEB/ 1.545e-02 -6.534e-03 -2.956e-03 3.643e-04 / CHEB/ -2.047e-02 -2.717e-02 -1.499e-02 -5.272e-03 /

5188.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-8.2	-4.4	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-8.4	-4.5	-2.4

Chebyshev(coeffs=[[-11.4053,-0.504605,-0.297032,-0.123816],[14.251,0.254372,0.137697,0.0506101],[0.587645,0.140298,0.0871254,0.0364247],[0.171376,0.0830263,0.0499235,0.0212806],[0.0105204,-0.00452003,-0.00248478,-0.000380739],[-0.0202502,-0.0242241,-0.0137443,-0.00518119]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.83
S298 (cal/mol*K) = -10.30
G298 (kcal/mol) = 43.90

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(848); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(848)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.141e+01 -5.046e-01 -2.970e-01 -1.238e-01 / CHEB/ 1.425e+01 2.544e-01 1.377e-01 5.061e-02 / CHEB/ 5.876e-01 1.403e-01 8.713e-02 3.642e-02 / CHEB/ 1.714e-01 8.303e-02 4.992e-02 2.128e-02 / CHEB/ 1.052e-02 -4.520e-03 -2.485e-03 -3.807e-04 / CHEB/ -2.025e-02 -2.422e-02 -1.374e-02 -5.181e-03 /

5189.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-5.8	-1.8	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-6.0	-1.9	+0.2

Chebyshev(coeffs=[[-10.3695,-0.413173,-0.25057,-0.109193],[16.1413,0.199407,0.111775,0.0420676],[0.345944,0.11876,0.0761882,0.0351329],[0.10883,0.0716198,0.04404,0.0196873],[-0.00244057,-0.00277894,-0.00195231,-0.000909741],[-0.022592,-0.0206881,-0.0120812,-0.00481568]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.98
S298 (cal/mol*K) = 5.71
G298 (kcal/mol) = 47.28

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(849); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(849)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.037e+01 -4.132e-01 -2.506e-01 -1.092e-01 / CHEB/ 1.614e+01 1.994e-01 1.118e-01 4.207e-02 / CHEB/ 3.459e-01 1.188e-01 7.619e-02 3.513e-02 / CHEB/ 1.088e-01 7.162e-02 4.404e-02 1.969e-02 / CHEB/ -2.441e-03 -2.779e-03 -1.952e-03 -9.097e-04 / CHEB/ -2.259e-02 -2.069e-02 -1.208e-02 -4.816e-03 /

5190.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-5.4	-2.1	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-5.7	-2.2	-0.4

Chebyshev(coeffs=[[-7.23566,-0.597267,-0.342327,-0.137492],[12.0066,0.312007,0.164344,0.0597893],[0.685186,0.159722,0.0959638,0.03656],[0.187415,0.0939171,0.0550054,0.0217502],[0.00813553,-0.00577641,-0.0024754,0.000619223],[-0.0230531,-0.0275299,-0.0150892,-0.00520665]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.63
S298 (cal/mol*K) = -11.40
G298 (kcal/mol) = 35.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(850); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(850)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.236e+00 -5.973e-01 -3.423e-01 -1.375e-01 / CHEB/ 1.201e+01 3.120e-01 1.643e-01 5.979e-02 / CHEB/ 6.852e-01 1.597e-01 9.596e-02 3.656e-02 / CHEB/ 1.874e-01 9.392e-02 5.501e-02 2.175e-02 / CHEB/ 8.136e-03 -5.776e-03 -2.475e-03 6.192e-04 / CHEB/ -2.305e-02 -2.753e-02 -1.509e-02 -5.207e-03 /

5191.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-5.4	-2.1	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-5.7	-2.2	-0.4

H298 (kcal/mol) = 31.63
S298 (cal/mol*K) = -11.40
G298 (kcal/mol) = 35.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(851); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(851)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.236e+00 -5.973e-01 -3.423e-01 -1.375e-01 / CHEB/ 1.201e+01 3.120e-01 1.643e-01 5.979e-02 / CHEB/ 6.852e-01 1.597e-01 9.596e-02 3.656e-02 / CHEB/ 1.874e-01 9.392e-02 5.501e-02 2.175e-02 / CHEB/ 8.136e-03 -5.776e-03 -2.475e-03 6.192e-04 / CHEB/ -2.305e-02 -2.753e-02 -1.509e-02 -5.207e-03 /

5192.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.3	-7.6	-3.6	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-7.8	-3.7	-1.5

Chebyshev(coeffs=[[-11.2183,-0.483458,-0.286463,-0.120528],[14.9185,0.241518,0.131697,0.0485463],[0.589779,0.135499,0.0847871,0.0362776],[0.174342,0.0804338,0.0486383,0.0210117],[0.0133053,-0.00415099,-0.00241213,-0.000559864],[-0.0187765,-0.0234262,-0.0133871,-0.00512347]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.03
S298 (cal/mol*K) = -10.72
G298 (kcal/mol) = 46.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(783); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(783)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.122e+01 -4.835e-01 -2.865e-01 -1.205e-01 / CHEB/ 1.492e+01 2.415e-01 1.317e-01 4.855e-02 / CHEB/ 5.898e-01 1.355e-01 8.479e-02 3.628e-02 / CHEB/ 1.743e-01 8.043e-02 4.864e-02 2.101e-02 / CHEB/ 1.331e-02 -4.151e-03 -2.412e-03 -5.599e-04 / CHEB/ -1.878e-02 -2.343e-02 -1.339e-02 -5.123e-03 /

5193.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.6	-7.4	-3.7	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-17.9	-7.6	-3.8	-1.8

Chebyshev(coeffs=[[-10.6668,-0.489808,-0.289648,-0.121521],[14.2502,0.245368,0.133498,0.0491618],[0.486247,0.136953,0.0855015,0.0363291],[0.14318,0.0812156,0.0490292,0.0210991],[0.00244628,-0.00426448,-0.00243706,-0.000509029],[-0.0227517,-0.0236672,-0.0134963,-0.00514275]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.29
S298 (cal/mol*K) = -2.75
G298 (kcal/mol) = 42.11

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(281); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(281)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.067e+01 -4.898e-01 -2.896e-01 -1.215e-01 / CHEB/ 1.425e+01 2.454e-01 1.335e-01 4.916e-02 / CHEB/ 4.862e-01 1.370e-01 8.550e-02 3.633e-02 / CHEB/ 1.432e-01 8.122e-02 4.903e-02 2.110e-02 / CHEB/ 2.446e-03 -4.264e-03 -2.437e-03 -5.090e-04 / CHEB/ -2.275e-02 -2.367e-02 -1.350e-02 -5.143e-03 /

5194.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.2	+2.8	+3.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+2.2	+2.8	+3.1

Chebyshev(coeffs=[[7.83762,-1.22125,-0.617547,-0.183737],[0.892066,0.600796,0.285974,0.067715],[0.31658,0.293394,0.144279,0.0418924],[0.123646,0.180505,0.0827298,0.0181815],[-0.0106691,0.00838379,0.00808668,0.00546688],[-0.0398798,-0.0417517,-0.0170269,-0.00160413]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -93.91
S298 (cal/mol*K) = -44.39
G298 (kcal/mol) = -80.69

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(852); C2H4(72), C7H11(852); C5H7(210)+C2H4(72)(+M)=>C7H11(852)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.838e+00 -1.221e+00 -6.175e-01 -1.837e-01 / CHEB/ 8.921e-01 6.008e-01 2.860e-01 6.771e-02 / CHEB/ 3.166e-01 2.934e-01 1.443e-01 4.189e-02 / CHEB/ 1.236e-01 1.805e-01 8.273e-02 1.818e-02 / CHEB/ -1.067e-02 8.384e-03 8.087e-03 5.467e-03 / CHEB/ -3.988e-02 -4.175e-02 -1.703e-02 -1.604e-03 /

5195.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+2.3	+2.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+1.7	+2.3	+2.5

Chebyshev(coeffs=[[7.32176,-1.22554,-0.619475,-0.184136],[0.843786,0.596447,0.283866,0.0671006],[0.289122,0.293085,0.143909,0.0416178],[0.110966,0.181621,0.0830256,0.018115],[-0.0160106,0.00927741,0.00840118,0.00550468],[-0.0416826,-0.041402,-0.0168716,-0.00153991]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.22
S298 (cal/mol*K) = -44.34
G298 (kcal/mol) = -43.01

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(853); C2H4(72), C7H11(853); C5H7(210)+C2H4(72)(+M)=>C7H11(853)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.322e+00 -1.226e+00 -6.195e-01 -1.841e-01 / CHEB/ 8.438e-01 5.964e-01 2.839e-01 6.710e-02 / CHEB/ 2.891e-01 2.931e-01 1.439e-01 4.162e-02 / CHEB/ 1.110e-01 1.816e-01 8.303e-02 1.811e-02 / CHEB/ -1.601e-02 9.277e-03 8.401e-03 5.505e-03 / CHEB/ -4.168e-02 -4.140e-02 -1.687e-02 -1.540e-03 /

5196.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-2.2	+0.2	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-2.5	+0.0	+1.4

Chebyshev(coeffs=[[-1.24757,-0.786343,-0.431374,-0.159961],[7.7105,0.437644,0.222386,0.0747033],[0.758515,0.189913,0.106841,0.0369071],[0.170546,0.113117,0.0627123,0.0204924],[-0.00928355,-0.00605676,-0.000859485,0.00260735],[-0.0318009,-0.0329849,-0.0168764,-0.00448828]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.09
S298 (cal/mol*K) = -5.31
G298 (kcal/mol) = 9.68

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(442); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(442)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.248e+00 -7.863e-01 -4.314e-01 -1.600e-01 / CHEB/ 7.710e+00 4.376e-01 2.224e-01 7.470e-02 / CHEB/ 7.585e-01 1.899e-01 1.068e-01 3.691e-02 / CHEB/ 1.705e-01 1.131e-01 6.271e-02 2.049e-02 / CHEB/ -9.284e-03 -6.057e-03 -8.595e-04 2.607e-03 / CHEB/ -3.180e-02 -3.298e-02 -1.688e-02 -4.488e-03 /

5197.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.6	-9.1	-5.1	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-20.0	-9.3	-5.2	-3.1

Chebyshev(coeffs=[[-12.5729,-0.488993,-0.289093,-0.121295],[14.6968,0.249485,0.135696,0.0499557],[0.618945,0.135921,0.0850606,0.0362437],[0.18534,0.0798238,0.048328,0.0209367],[0.0208437,-0.00506739,-0.00285651,-0.000623919],[-0.0167422,-0.0237579,-0.0135597,-0.00518039]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.03
S298 (cal/mol*K) = -13.65
G298 (kcal/mol) = 46.09

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(854); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(854)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.257e+01 -4.890e-01 -2.891e-01 -1.213e-01 / CHEB/ 1.470e+01 2.495e-01 1.357e-01 4.996e-02 / CHEB/ 6.189e-01 1.359e-01 8.506e-02 3.624e-02 / CHEB/ 1.853e-01 7.982e-02 4.833e-02 2.094e-02 / CHEB/ 2.084e-02 -5.067e-03 -2.857e-03 -6.239e-04 / CHEB/ -1.674e-02 -2.376e-02 -1.356e-02 -5.180e-03 /

5235.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-0.6	+1.2	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-1.6	+0.6	+1.4

Chebyshev(coeffs=[[-0.23958,-2.47146,-0.375129,0.0231306],[7.59424,1.45665,-0.0811748,-0.0821722],[0.513726,0.418856,0.091518,-0.0286383],[-0.18173,0.00152206,0.0745009,0.00655892],[-0.147511,-0.0443724,0.019415,0.0116262],[-0.0462444,0.00437947,-0.00524953,0.00353865]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.28
S298 (cal/mol*K) = -11.71
G298 (kcal/mol) = 15.77

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C6H7(855); C2H3(100), CH3(423); C5H7(210)+C2H3(100)(+M)=>CH3(423)+C6H7(855)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.396e-01 -2.471e+00 -3.751e-01 2.313e-02 / CHEB/ 7.594e+00 1.457e+00 -8.117e-02 -8.217e-02 / CHEB/ 5.137e-01 4.189e-01 9.152e-02 -2.864e-02 / CHEB/ -1.817e-01 1.522e-03 7.450e-02 6.559e-03 / CHEB/ -1.475e-01 -4.437e-02 1.941e-02 1.163e-02 / CHEB/ -4.624e-02 4.379e-03 -5.250e-03 3.539e-03 /

5236.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-3.3	-1.2	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-4.3	-1.8	-0.9

Chebyshev(coeffs=[[-3.31393,-2.47029,-0.375338,0.0231073],[8.21437,1.45661,-0.0808277,-0.0822346],[0.646099,0.41861,0.0916462,-0.028617],[-0.142358,0.00132733,0.0744804,0.00659489],[-0.134501,-0.044427,0.0193564,0.0116485],[-0.0416855,0.00440117,-0.00527318,0.00353363]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.77
S298 (cal/mol*K) = -23.81
G298 (kcal/mol) = 21.86

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(856); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(856)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.314e+00 -2.470e+00 -3.753e-01 2.311e-02 / CHEB/ 8.214e+00 1.457e+00 -8.083e-02 -8.223e-02 / CHEB/ 6.461e-01 4.186e-01 9.165e-02 -2.862e-02 / CHEB/ -1.424e-01 1.327e-03 7.448e-02 6.595e-03 / CHEB/ -1.345e-01 -4.443e-02 1.936e-02 1.165e-02 / CHEB/ -4.169e-02 4.401e-03 -5.273e-03 3.534e-03 /

5237.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-1.7	+0.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-2.6	-0.1	+0.9

Chebyshev(coeffs=[[-2.93591,-2.2872,-0.407336,0.0189731],[9.92321,1.43761,-0.0247189,-0.0908787],[0.320947,0.374478,0.109907,-0.024394],[-0.184708,-0.0253197,0.0679647,0.013154],[-0.147343,-0.0491363,0.00979199,0.0140078],[-0.047604,0.00824112,-0.00778726,0.00176993]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.57
S298 (cal/mol*K) = -7.49
G298 (kcal/mol) = 25.80

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C5H7(857); C2H3(100), C2H3(100); C5H7(210)+C2H3(100)(+M)=>C2H3(100)+C5H7(857)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.936e+00 -2.287e+00 -4.073e-01 1.897e-02 / CHEB/ 9.923e+00 1.438e+00 -2.472e-02 -9.088e-02 / CHEB/ 3.209e-01 3.745e-01 1.099e-01 -2.439e-02 / CHEB/ -1.847e-01 -2.532e-02 6.796e-02 1.315e-02 / CHEB/ -1.473e-01 -4.914e-02 9.792e-03 1.401e-02 / CHEB/ -4.760e-02 8.241e-03 -7.787e-03 1.770e-03 /

5238.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	-0.8	+0.9	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-1.9	+0.3	+1.1

Chebyshev(coeffs=[[0.366985,-2.60042,-0.348827,0.0247639],[6.3865,1.46588,-0.118732,-0.074025],[0.801581,0.447791,0.078476,-0.0313676],[-0.150923,0.0259921,0.0756212,0.00341967],[-0.131544,-0.037777,0.0256233,0.00901605],[-0.0359902,0.00121933,-0.00227014,0.00359972]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.46
S298 (cal/mol*K) = -23.37
G298 (kcal/mol) = 10.42

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(858); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(858)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.670e-01 -2.600e+00 -3.488e-01 2.476e-02 / CHEB/ 6.387e+00 1.466e+00 -1.187e-01 -7.402e-02 / CHEB/ 8.016e-01 4.478e-01 7.848e-02 -3.137e-02 / CHEB/ -1.509e-01 2.599e-02 7.562e-02 3.420e-03 / CHEB/ -1.315e-01 -3.778e-02 2.562e-02 9.016e-03 / CHEB/ -3.599e-02 1.219e-03 -2.270e-03 3.600e-03 /

5239.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-4.5	-1.7	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-5.3	-2.1	-0.8

Chebyshev(coeffs=[[-7.18751,-2.13471,-0.428377,0.0143346],[12.3372,1.42074,0.0235201,-0.0968592],[0.377617,0.332225,0.122684,-0.0181477],[-0.138984,-0.0459377,0.0590145,0.0192851],[-0.129897,-0.0500175,0.00164017,0.0139816],[-0.0398401,0.0117461,-0.00862597,-0.000581679]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.47
S298 (cal/mol*K) = -16.40
G298 (kcal/mol) = 37.35

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(859); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(859)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.188e+00 -2.135e+00 -4.284e-01 1.433e-02 / CHEB/ 1.234e+01 1.421e+00 2.352e-02 -9.686e-02 / CHEB/ 3.776e-01 3.322e-01 1.227e-01 -1.815e-02 / CHEB/ -1.390e-01 -4.594e-02 5.901e-02 1.929e-02 / CHEB/ -1.299e-01 -5.002e-02 1.640e-03 1.398e-02 / CHEB/ -3.984e-02 1.175e-02 -8.626e-03 -5.817e-04 /

5240.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.1	-8.2	-5.0	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-8.8	-5.3	-3.8

Chebyshev(coeffs=[[-12.5669,-1.90433,-0.460909,0.00459579],[14.9502,1.33525,0.0973615,-0.101104],[0.129598,0.262288,0.127643,-0.00421779],[-0.175339,-0.0620457,0.0408555,0.0248778],[-0.117621,-0.0417526,-0.0067268,0.0101534],[-0.0323234,0.0165452,-0.00703715,-0.00352671]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.87
S298 (cal/mol*K) = -18.31
G298 (kcal/mol) = 49.32

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(860); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(860)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.257e+01 -1.904e+00 -4.609e-01 4.596e-03 / CHEB/ 1.495e+01 1.335e+00 9.736e-02 -1.011e-01 / CHEB/ 1.296e-01 2.623e-01 1.276e-01 -4.218e-03 / CHEB/ -1.753e-01 -6.205e-02 4.086e-02 2.488e-02 / CHEB/ -1.176e-01 -4.175e-02 -6.727e-03 1.015e-02 / CHEB/ -3.232e-02 1.655e-02 -7.037e-03 -3.527e-03 /

5241.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.1	-8.2	-5.0	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-8.8	-5.3	-3.8

H298 (kcal/mol) = 43.87
S298 (cal/mol*K) = -18.31
G298 (kcal/mol) = 49.32

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(861); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(861)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.257e+01 -1.904e+00 -4.609e-01 4.596e-03 / CHEB/ 1.495e+01 1.335e+00 9.736e-02 -1.011e-01 / CHEB/ 1.296e-01 2.623e-01 1.276e-01 -4.218e-03 / CHEB/ -1.753e-01 -6.205e-02 4.086e-02 2.488e-02 / CHEB/ -1.176e-01 -4.175e-02 -6.727e-03 1.015e-02 / CHEB/ -3.232e-02 1.655e-02 -7.037e-03 -3.527e-03 /

5242.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-7.5	-4.4	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-8.2	-4.8	-3.4

Chebyshev(coeffs=[[-11.3256,-1.98577,-0.451674,0.0087403],[14.0643,1.36382,0.0716728,-0.100595],[0.189156,0.287106,0.126853,-0.00968552],[-0.169867,-0.0565584,0.0474539,0.0233956],[-0.122726,-0.044812,-0.00402495,0.0117737],[-0.0350057,0.0152097,-0.00775687,-0.0026728]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.37
S298 (cal/mol*K) = -18.31
G298 (kcal/mol) = 45.82

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(862); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(862)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.133e+01 -1.986e+00 -4.517e-01 8.740e-03 / CHEB/ 1.406e+01 1.364e+00 7.167e-02 -1.006e-01 / CHEB/ 1.892e-01 2.871e-01 1.269e-01 -9.686e-03 / CHEB/ -1.699e-01 -5.656e-02 4.745e-02 2.340e-02 / CHEB/ -1.227e-01 -4.481e-02 -4.025e-03 1.177e-02 / CHEB/ -3.501e-02 1.521e-02 -7.757e-03 -2.673e-03 /

5243.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-6.9	-3.7	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-19.2	-7.6	-4.1	-2.6

Chebyshev(coeffs=[[-11.0936,-1.93873,-0.457182,0.00644053],[14.6741,1.34779,0.0865855,-0.101052],[0.17482,0.272771,0.127521,-0.00656951],[-0.167084,-0.0599126,0.0436636,0.0243449],[-0.117844,-0.0431051,-0.00565584,0.0108674],[-0.0327007,0.0160355,-0.00736701,-0.00319984]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.57
S298 (cal/mol*K) = -18.73
G298 (kcal/mol) = 48.15

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H9(863); C2H3(100), H(25); C5H7(210)+C2H3(100)(+M)=>H(25)+C7H9(863)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.109e+01 -1.939e+00 -4.572e-01 6.441e-03 / CHEB/ 1.467e+01 1.348e+00 8.659e-02 -1.011e-01 / CHEB/ 1.748e-01 2.728e-01 1.275e-01 -6.570e-03 / CHEB/ -1.671e-01 -5.991e-02 4.366e-02 2.434e-02 / CHEB/ -1.178e-01 -4.311e-02 -5.656e-03 1.087e-02 / CHEB/ -3.270e-02 1.604e-02 -7.367e-03 -3.200e-03 /

5244.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-0.4	+0.9	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-1.6	+0.1	+0.8

Chebyshev(coeffs=[[1.75785,-2.69912,-0.337163,0.0270021],[4.83638,1.41716,-0.141441,-0.0665692],[0.682778,0.458615,0.0622129,-0.0325512],[-0.175553,0.0480128,0.0720634,0.00100183],[-0.132473,-0.0262283,0.0290951,0.00665403],[-0.0349933,0.00250039,0.000968045,0.00282564]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.92
S298 (cal/mol*K) = -34.00
G298 (kcal/mol) = -0.79

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(864); C2H3(100), C7H10(864); C5H7(210)+C2H3(100)(+M)=>C7H10(864)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.758e+00 -2.699e+00 -3.372e-01 2.700e-02 / CHEB/ 4.836e+00 1.417e+00 -1.414e-01 -6.657e-02 / CHEB/ 6.828e-01 4.586e-01 6.221e-02 -3.255e-02 / CHEB/ -1.756e-01 4.801e-02 7.206e-02 1.002e-03 / CHEB/ -1.325e-01 -2.623e-02 2.910e-02 6.654e-03 / CHEB/ -3.499e-02 2.500e-03 9.680e-04 2.826e-03 /

5245.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	-0.5	+0.5	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-1.8	-0.3	+0.2

Chebyshev(coeffs=[[2.29903,-2.7968,-0.326643,0.0298762],[3.83665,1.34574,-0.156783,-0.0588987],[0.595928,0.468207,0.0440404,-0.0325892],[-0.155706,0.0734293,0.0662156,-0.00122043],[-0.120302,-0.0109491,0.0311448,0.00452211],[-0.0259268,0.00589794,0.0041815,0.00172774]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.02
S298 (cal/mol*K) = -42.93
G298 (kcal/mol) = -11.23

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(865); C2H3(100), C7H10(865); C5H7(210)+C2H3(100)(+M)=>C7H10(865)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.299e+00 -2.797e+00 -3.266e-01 2.988e-02 / CHEB/ 3.837e+00 1.346e+00 -1.568e-01 -5.890e-02 / CHEB/ 5.959e-01 4.682e-01 4.404e-02 -3.259e-02 / CHEB/ -1.557e-01 7.343e-02 6.622e-02 -1.220e-03 / CHEB/ -1.203e-01 -1.095e-02 3.114e-02 4.522e-03 / CHEB/ -2.593e-02 5.898e-03 4.181e-03 1.728e-03 /

5246.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	-1.3	-0.1	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-2.6	-0.9	-0.2

Chebyshev(coeffs=[[1.19231,-2.76448,-0.329683,0.0287963],[4.38207,1.37334,-0.152467,-0.0614476],[0.689734,0.466652,0.0501875,-0.0327474],[-0.145942,0.0648531,0.0685787,-0.000521533],[-0.119965,-0.0166117,0.0307154,0.00521021],[-0.0274976,0.00425649,0.00314686,0.00211511]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.70
S298 (cal/mol*K) = -44.41
G298 (kcal/mol) = -5.47

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(866); C2H3(100), C7H10(866); C5H7(210)+C2H3(100)(+M)=>C7H10(866)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.192e+00 -2.764e+00 -3.297e-01 2.880e-02 / CHEB/ 4.382e+00 1.373e+00 -1.525e-01 -6.145e-02 / CHEB/ 6.897e-01 4.667e-01 5.019e-02 -3.275e-02 / CHEB/ -1.459e-01 6.485e-02 6.858e-02 -5.215e-04 / CHEB/ -1.200e-01 -1.661e-02 3.072e-02 5.210e-03 / CHEB/ -2.750e-02 4.256e-03 3.147e-03 2.115e-03 /

5247.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-2.9	-1.9	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-4.1	-2.7	-2.3

Chebyshev(coeffs=[[-0.135023,-2.74039,-0.332214,0.0280693],[3.84577,1.39147,-0.148789,-0.0633381],[0.540394,0.464301,0.0547352,-0.0327575],[-0.201938,0.0584993,0.0700658,3.12656e-05],[-0.139862,-0.0204421,0.0302211,0.00573659],[-0.0356751,0.00338992,0.00234847,0.00239086]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.87
S298 (cal/mol*K) = -48.48
G298 (kcal/mol) = -19.42

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(867); C2H3(100), C7H10(867); C5H7(210)+C2H3(100)(+M)=>C7H10(867)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.350e-01 -2.740e+00 -3.322e-01 2.807e-02 / CHEB/ 3.846e+00 1.391e+00 -1.488e-01 -6.334e-02 / CHEB/ 5.404e-01 4.643e-01 5.474e-02 -3.276e-02 / CHEB/ -2.019e-01 5.850e-02 7.007e-02 3.127e-05 / CHEB/ -1.399e-01 -2.044e-02 3.022e-02 5.737e-03 / CHEB/ -3.568e-02 3.390e-03 2.348e-03 2.391e-03 /

5248.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-2.0	-0.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-3.0	-0.7	+0.2

Chebyshev(coeffs=[[-1.41498,-2.5278,-0.36186,0.0237254],[7.3249,1.47183,-0.0984247,-0.0789986],[0.733475,0.433916,0.0869553,-0.0298685],[-0.144602,0.0109038,0.0759293,0.00516369],[-0.131741,-0.0431122,0.0222234,0.0106446],[-0.0332316,0.00210958,-0.00422762,0.00376338]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.32
S298 (cal/mol*K) = -35.52
G298 (kcal/mol) = 4.26

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(868); C2H3(100), C7H10(868); C5H7(210)+C2H3(100)(+M)=>C7H10(868)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.415e+00 -2.528e+00 -3.619e-01 2.373e-02 / CHEB/ 7.325e+00 1.472e+00 -9.842e-02 -7.900e-02 / CHEB/ 7.335e-01 4.339e-01 8.696e-02 -2.987e-02 / CHEB/ -1.446e-01 1.090e-02 7.593e-02 5.164e-03 / CHEB/ -1.317e-01 -4.311e-02 2.222e-02 1.064e-02 / CHEB/ -3.323e-02 2.110e-03 -4.228e-03 3.763e-03 /

5249.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-1.1	+0.6	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-2.2	-0.0	+0.8

Chebyshev(coeffs=[[0.0647804,-2.60174,-0.352005,0.0253044],[6.42813,1.45007,-0.118516,-0.0740406],[0.748754,0.442777,0.0766316,-0.0310717],[-0.155683,0.0258745,0.0746737,0.00317819],[-0.130975,-0.0362859,0.0254798,0.00886077],[-0.0377524,0.00244121,-0.00206953,0.00353173]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.92
S298 (cal/mol*K) = -34.00
G298 (kcal/mol) = -0.79

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(869); C2H3(100), C7H10(869); C5H7(210)+C2H3(100)(+M)=>C7H10(869)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.478e-02 -2.602e+00 -3.520e-01 2.530e-02 / CHEB/ 6.428e+00 1.450e+00 -1.185e-01 -7.404e-02 / CHEB/ 7.488e-01 4.428e-01 7.663e-02 -3.107e-02 / CHEB/ -1.557e-01 2.587e-02 7.467e-02 3.178e-03 / CHEB/ -1.310e-01 -3.629e-02 2.548e-02 8.861e-03 / CHEB/ -3.775e-02 2.441e-03 -2.070e-03 3.532e-03 /

5250.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-1.9	-0.4	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-3.1	-1.1	-0.3

Chebyshev(coeffs=[[-0.155189,-2.66514,-0.339252,0.0259049],[5.50117,1.44433,-0.134371,-0.0691566],[0.793778,0.459169,0.0686924,-0.0324605],[-0.149372,0.0408285,0.074095,0.0018806],[-0.125271,-0.0314735,0.0282837,0.0075297],[-0.031022,0.000903618,-0.00018007,0.00318179]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.70
S298 (cal/mol*K) = -44.41
G298 (kcal/mol) = -5.47

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(870); C2H3(100), C7H10(870); C5H7(210)+C2H3(100)(+M)=>C7H10(870)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.552e-01 -2.665e+00 -3.393e-01 2.590e-02 / CHEB/ 5.501e+00 1.444e+00 -1.344e-01 -6.916e-02 / CHEB/ 7.938e-01 4.592e-01 6.869e-02 -3.246e-02 / CHEB/ -1.494e-01 4.083e-02 7.410e-02 1.881e-03 / CHEB/ -1.253e-01 -3.147e-02 2.828e-02 7.530e-03 / CHEB/ -3.102e-02 9.036e-04 -1.801e-04 3.182e-03 /

5251.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.8	-8.1	-5.3	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-18.4	-8.8	-5.8	-4.4

Chebyshev(coeffs=[[-10.3684,-2.15615,-0.426318,0.0151686],[11.9723,1.42029,0.0171343,-0.0961983],[0.24087,0.340601,0.120322,-0.0193881],[-0.10454,-0.0432117,0.0602958,0.018419],[-0.0128579,-0.052452,0.00303669,0.0142882],[-0.0365295,0.0107478,-0.00861585,-0.0001288]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.40
S298 (cal/mol*K) = -38.91
G298 (kcal/mol) = 21.99

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(871); C2H3(100), C7H10(871); C5H7(210)+C2H3(100)(+M)=>C7H10(871)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.037e+01 -2.156e+00 -4.263e-01 1.517e-02 / CHEB/ 1.197e+01 1.420e+00 1.713e-02 -9.620e-02 / CHEB/ 2.409e-01 3.406e-01 1.203e-01 -1.939e-02 / CHEB/ -1.045e-01 -4.321e-02 6.030e-02 1.842e-02 / CHEB/ -1.286e-02 -5.245e-02 3.037e-03 1.429e-02 / CHEB/ -3.653e-02 1.075e-02 -8.616e-03 -1.288e-04 /

5252.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-6.6	-4.1	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-7.4	-4.6	-3.5

Chebyshev(coeffs=[[-8.09012,-2.28444,-0.4078,0.0189043],[10.5517,1.43714,-0.0238482,-0.0909978],[0.449456,0.373764,0.11014,-0.0243084],[-0.146174,-0.0256745,0.0678257,0.0132609],[-0.134504,-0.0491611,0.00964969,0.0140225],[-0.0430632,0.00830439,-0.00780958,0.00173227]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.58
S298 (cal/mol*K) = -37.43
G298 (kcal/mol) = 12.73

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(872); C2H3(100), C7H10(872); C5H7(210)+C2H3(100)(+M)=>C7H10(872)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.090e+00 -2.284e+00 -4.078e-01 1.890e-02 / CHEB/ 1.055e+01 1.437e+00 -2.385e-02 -9.100e-02 / CHEB/ 4.495e-01 3.738e-01 1.101e-01 -2.431e-02 / CHEB/ -1.462e-01 -2.567e-02 6.783e-02 1.326e-02 / CHEB/ -1.345e-01 -4.916e-02 9.650e-03 1.402e-02 / CHEB/ -4.306e-02 8.304e-03 -7.810e-03 1.732e-03 /

5253.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-3.0	-1.4	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-4.1	-2.1	-1.4

Chebyshev(coeffs=[[-1.3562,-2.65718,-0.343051,0.0261578],[5.68599,1.43586,-0.132481,-0.0698436],[0.763178,0.451824,0.0690478,-0.0320538],[-0.158195,0.0380508,0.0734815,0.00196397],[-0.128168,-0.0311428,0.0276764,0.00759956],[-0.0352082,0.0022066,-0.000399157,0.00319583]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.32
S298 (cal/mol*K) = -35.52
G298 (kcal/mol) = 4.26

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(374); C2H3(100), C7H10(374); C5H7(210)+C2H3(100)(+M)=>C7H10(374)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.356e+00 -2.657e+00 -3.431e-01 2.616e-02 / CHEB/ 5.686e+00 1.436e+00 -1.325e-01 -6.984e-02 / CHEB/ 7.632e-01 4.518e-01 6.905e-02 -3.205e-02 / CHEB/ -1.582e-01 3.805e-02 7.348e-02 1.964e-03 / CHEB/ -1.282e-01 -3.114e-02 2.768e-02 7.600e-03 / CHEB/ -3.521e-02 2.207e-03 -3.992e-04 3.196e-03 /

5254.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-1.7	-0.7	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-3.0	-1.6	-1.0

Chebyshev(coeffs=[[1.14274,-2.80098,-0.326277,0.0300235],[3.76821,1.34191,-0.157293,-0.0585679],[0.5831,0.468253,0.0432497,-0.032557],[-0.157118,0.0745269,0.0658816,-0.00130594],[-0.120299,-0.0101752,0.0311788,0.0044352],[-0.025689,0.00615389,0.00431055,0.00167655]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.35
S298 (cal/mol*K) = -43.38
G298 (kcal/mol) = -8.42

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(873); C2H3(100), C7H10(873); C5H7(210)+C2H3(100)(+M)=>C7H10(873)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.143e+00 -2.801e+00 -3.263e-01 3.002e-02 / CHEB/ 3.768e+00 1.342e+00 -1.573e-01 -5.857e-02 / CHEB/ 5.831e-01 4.683e-01 4.325e-02 -3.256e-02 / CHEB/ -1.571e-01 7.453e-02 6.588e-02 -1.306e-03 / CHEB/ -1.203e-01 -1.018e-02 3.118e-02 4.435e-03 / CHEB/ -2.569e-02 6.154e-03 4.311e-03 1.677e-03 /

5255.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-6.1	-4.0	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-7.1	-4.5	-3.6

Chebyshev(coeffs=[[-6.43774,-2.42452,-0.383518,0.0221682],[8.71873,1.45414,-0.0670972,-0.0845772],[0.578881,0.408602,0.096538,-0.027755],[-0.146813,-0.00600947,0.0734551,0.00806958],[-0.136895,-0.0462436,0.0170145,0.0124601],[-0.0432496,0.00528694,-0.00611105,0.00326473]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.75
S298 (cal/mol*K) = -37.88
G298 (kcal/mol) = 19.04

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(874); C2H3(100), C7H10(874); C5H7(210)+C2H3(100)(+M)=>C7H10(874)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.438e+00 -2.425e+00 -3.835e-01 2.217e-02 / CHEB/ 8.719e+00 1.454e+00 -6.710e-02 -8.458e-02 / CHEB/ 5.789e-01 4.086e-01 9.654e-02 -2.775e-02 / CHEB/ -1.468e-01 -6.009e-03 7.346e-02 8.070e-03 / CHEB/ -1.369e-01 -4.624e-02 1.701e-02 1.246e-02 / CHEB/ -4.325e-02 5.287e-03 -6.111e-03 3.265e-03 /

5256.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-5.2	-3.3	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-6.2	-3.9	-3.0

Chebyshev(coeffs=[[-4.75007,-2.51999,-0.366414,0.0240312],[7.49224,1.45702,-0.0954643,-0.0794409],[0.679906,0.428533,0.0861704,-0.0295203],[-0.149939,0.00993808,0.0750588,0.00516231],[-0.134893,-0.0418905,0.0217941,0.0106537],[-0.0408447,0.00352312,-0.00419677,0.00366953]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.58
S298 (cal/mol*K) = -37.43
G298 (kcal/mol) = 12.73

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(875); C2H3(100), C7H10(875); C5H7(210)+C2H3(100)(+M)=>C7H10(875)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.750e+00 -2.520e+00 -3.664e-01 2.403e-02 / CHEB/ 7.492e+00 1.457e+00 -9.546e-02 -7.944e-02 / CHEB/ 6.799e-01 4.285e-01 8.617e-02 -2.952e-02 / CHEB/ -1.499e-01 9.938e-03 7.506e-02 5.162e-03 / CHEB/ -1.349e-01 -4.189e-02 2.179e-02 1.065e-02 / CHEB/ -4.084e-02 3.523e-03 -4.197e-03 3.670e-03 /

5257.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-6.6	-4.2	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-7.5	-4.7	-3.7

Chebyshev(coeffs=[[-7.47963,-2.37884,-0.391324,0.0211184],[9.62827,1.45111,-0.0533202,-0.0867335],[0.628258,0.397292,0.101414,-0.0267401],[-0.134633,-0.0131505,0.0719799,0.00971413],[-0.144016,-0.04752,0.0146131,0.0131122],[-0.082097,0.00678676,-0.00684285,0.00282909]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.40
S298 (cal/mol*K) = -38.91
G298 (kcal/mol) = 21.99

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(876); C2H3(100), C7H10(876); C5H7(210)+C2H3(100)(+M)=>C7H10(876)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.480e+00 -2.379e+00 -3.913e-01 2.112e-02 / CHEB/ 9.628e+00 1.451e+00 -5.332e-02 -8.673e-02 / CHEB/ 6.283e-01 3.973e-01 1.014e-01 -2.674e-02 / CHEB/ -1.346e-01 -1.315e-02 7.198e-02 9.714e-03 / CHEB/ -1.440e-01 -4.752e-02 1.461e-02 1.311e-02 / CHEB/ -8.210e-02 6.787e-03 -6.843e-03 2.829e-03 /

5258.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-5.2	-3.2	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-6.2	-3.8	-2.9

Chebyshev(coeffs=[[-4.90003,-2.50691,-0.368768,0.0238017],[7.75926,1.45713,-0.0916325,-0.0802088],[0.688191,0.426057,0.0876106,-0.02928],[-0.142738,0.0075917,0.0749699,0.00551969],[-0.133246,-0.0426131,0.0211653,0.0109245],[-0.0405136,0.00374363,-0.00449622,0.00364993]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.78
S298 (cal/mol*K) = -37.85
G298 (kcal/mol) = 15.06

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(877); C2H3(100), C7H10(877); C5H7(210)+C2H3(100)(+M)=>C7H10(877)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.900e+00 -2.507e+00 -3.688e-01 2.380e-02 / CHEB/ 7.759e+00 1.457e+00 -9.163e-02 -8.021e-02 / CHEB/ 6.882e-01 4.261e-01 8.761e-02 -2.928e-02 / CHEB/ -1.427e-01 7.592e-03 7.497e-02 5.520e-03 / CHEB/ -1.332e-01 -4.261e-02 2.117e-02 1.092e-02 / CHEB/ -4.051e-02 3.744e-03 -4.496e-03 3.650e-03 /

5259.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-3.2	-1.6	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-4.3	-2.3	-1.5

Chebyshev(coeffs=[[-1.74866,-2.62746,-0.347716,0.0256795],[5.98852,1.44478,-0.125248,-0.0721291],[0.738586,0.446961,0.0732957,-0.0315559],[-0.163629,0.0313889,0.0742085,0.00261612],[-0.131698,-0.03407,0.0265373,0.00827611],[-0.0373791,0.00226336,-0.00131678,0.00339933]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.65
S298 (cal/mol*K) = -35.98
G298 (kcal/mol) = 7.07

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(584); C2H3(100), C7H10(584); C5H7(210)+C2H3(100)(+M)=>C7H10(584)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.749e+00 -2.627e+00 -3.477e-01 2.568e-02 / CHEB/ 5.989e+00 1.445e+00 -1.252e-01 -7.213e-02 / CHEB/ 7.386e-01 4.470e-01 7.330e-02 -3.156e-02 / CHEB/ -1.636e-01 3.139e-02 7.421e-02 2.616e-03 / CHEB/ -1.317e-01 -3.407e-02 2.654e-02 8.276e-03 / CHEB/ -3.738e-02 2.263e-03 -1.317e-03 3.399e-03 /

5260.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	-6.0	-3.9	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-7.0	-4.5	-3.5

Chebyshev(coeffs=[[-6.30768,-2.42452,-0.383518,0.0221682],[8.65198,1.45414,-0.0670972,-0.0845772],[0.564141,0.408602,0.096538,-0.027755],[-0.151152,-0.00600947,0.0734551,0.00806958],[-0.138332,-0.0462436,0.0170145,0.0124601],[-0.0437558,0.00528694,-0.00611105,0.00326473]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.75
S298 (cal/mol*K) = -37.88
G298 (kcal/mol) = 19.04

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(878); C2H3(100), C7H10(878); C5H7(210)+C2H3(100)(+M)=>C7H10(878)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.308e+00 -2.425e+00 -3.835e-01 2.217e-02 / CHEB/ 8.652e+00 1.454e+00 -6.710e-02 -8.458e-02 / CHEB/ 5.641e-01 4.086e-01 9.654e-02 -2.775e-02 / CHEB/ -1.512e-01 -6.009e-03 7.346e-02 8.070e-03 / CHEB/ -1.383e-01 -4.624e-02 1.701e-02 1.246e-02 / CHEB/ -4.376e-02 5.287e-03 -6.111e-03 3.265e-03 /

5261.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-4.9	-3.0	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-6.0	-3.7	-2.8

Chebyshev(coeffs=[[-4.30855,-2.53882,-0.363048,0.0243521],[7.26876,1.45638,-0.100907,-0.0782955],[0.702757,0.432046,0.08404,-0.029866],[-0.149758,0.013392,0.0751258,0.00466564],[-0.133748,-0.0407629,0.0226809,0.0102542],[-0.0400353,0.00322363,-0.00374419,0.00367715]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.78
S298 (cal/mol*K) = -37.85
G298 (kcal/mol) = 15.06

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(879); C2H3(100), C7H10(879); C5H7(210)+C2H3(100)(+M)=>C7H10(879)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.309e+00 -2.539e+00 -3.630e-01 2.435e-02 / CHEB/ 7.269e+00 1.456e+00 -1.009e-01 -7.830e-02 / CHEB/ 7.028e-01 4.320e-01 8.404e-02 -2.987e-02 / CHEB/ -1.498e-01 1.339e-02 7.513e-02 4.666e-03 / CHEB/ -1.337e-01 -4.076e-02 2.268e-02 1.025e-02 / CHEB/ -4.004e-02 3.224e-03 -3.744e-03 3.677e-03 /

5262.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+1.4	+2.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+0.2	+2.0	+2.7

Chebyshev(coeffs=[[3.72694,-2.72975,-0.332477,0.0276402],[4.70687,1.40256,-0.146958,-0.064113],[0.783437,0.464951,0.0570484,-0.0327958],[-0.136719,0.0560041,0.0709961,0.000322054],[-0.147516,-0.0219146,0.029991,0.00600873],[-0.0341511,0.0030827,0.00199689,0.00248666]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.00
S298 (cal/mol*K) = -35.10
G298 (kcal/mol) = -1.54

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(880); C2H3(100), C7H10(880); C5H7(210)+C2H3(100)(+M)=>C7H10(880)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.727e+00 -2.730e+00 -3.325e-01 2.764e-02 / CHEB/ 4.707e+00 1.403e+00 -1.470e-01 -6.411e-02 / CHEB/ 7.834e-01 4.650e-01 5.705e-02 -3.280e-02 / CHEB/ -1.367e-01 5.600e-02 7.100e-02 3.221e-04 / CHEB/ -1.475e-01 -2.191e-02 2.999e-02 6.009e-03 / CHEB/ -3.415e-02 3.083e-03 1.997e-03 2.487e-03 /

5263.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-0.0	+1.6	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-1.1	+0.9	+1.7

Chebyshev(coeffs=[[1.31131,-2.61552,-0.349683,0.0255034],[6.12183,1.44748,-0.122169,-0.0730267],[0.72844,0.445023,0.074877,-0.0313347],[-0.164644,0.0287998,0.0744439,0.00287576],[-0.132888,-0.0351314,0.0260537,0.00854804],[-0.0381031,0.00233244,-0.00167104,0.00346594]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.19
S298 (cal/mol*K) = -29.45
G298 (kcal/mol) = 9.97

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(881); C2H3(100), C7H10(881); C5H7(210)+C2H3(100)(+M)=>C7H10(881)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.311e+00 -2.616e+00 -3.497e-01 2.550e-02 / CHEB/ 6.122e+00 1.447e+00 -1.222e-01 -7.303e-02 / CHEB/ 7.284e-01 4.450e-01 7.488e-02 -3.133e-02 / CHEB/ -1.646e-01 2.880e-02 7.444e-02 2.876e-03 / CHEB/ -1.329e-01 -3.513e-02 2.605e-02 8.548e-03 / CHEB/ -3.810e-02 2.332e-03 -1.671e-03 3.466e-03 /

5264.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-0.3	+2.1	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-1.1	+1.6	+2.7

Chebyshev(coeffs=[[-1.34851,-2.32567,-0.398425,0.0197035],[9.93137,1.45439,-0.0367704,-0.0892928],[0.450968,0.388325,0.107445,-0.0255769],[-0.146883,-0.0209832,0.0704486,0.0117708],[-0.100972,-0.0509528,0.01185,0.0139269],[-0.0292011,0.0060895,-0.00778642,0.00240623]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.49
S298 (cal/mol*K) = -23.48
G298 (kcal/mol) = 9.48

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(882); C2H3(100), C7H10(882); C5H7(210)+C2H3(100)(+M)=>C7H10(882)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.349e+00 -2.326e+00 -3.984e-01 1.970e-02 / CHEB/ 9.931e+00 1.454e+00 -3.677e-02 -8.929e-02 / CHEB/ 4.510e-01 3.883e-01 1.074e-01 -2.558e-02 / CHEB/ -1.469e-01 -2.098e-02 7.045e-02 1.177e-02 / CHEB/ -1.010e-01 -5.095e-02 1.185e-02 1.393e-02 / CHEB/ -2.920e-02 6.090e-03 -7.786e-03 2.406e-03 /

5265.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-0.0	+2.3	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-0.9	+1.8	+2.9

Chebyshev(coeffs=[[-1.11083,-2.34566,-0.397502,0.0204368],[9.87526,1.44529,-0.0427571,-0.088308],[0.528476,0.390296,0.10426,-0.0260167],[-0.136154,-0.0175951,0.070779,0.0108782],[-0.133804,-0.0483553,0.0129072,0.0135275],[-0.0426852,0.00695341,-0.00722595,0.00252041]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.07
S298 (cal/mol*K) = -23.86
G298 (kcal/mol) = 9.18

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(883); C2H3(100), C7H10(883); C5H7(210)+C2H3(100)(+M)=>C7H10(883)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.111e+00 -2.346e+00 -3.975e-01 2.044e-02 / CHEB/ 9.875e+00 1.445e+00 -4.276e-02 -8.831e-02 / CHEB/ 5.285e-01 3.903e-01 1.043e-01 -2.602e-02 / CHEB/ -1.362e-01 -1.760e-02 7.078e-02 1.088e-02 / CHEB/ -1.338e-01 -4.836e-02 1.291e-02 1.353e-02 / CHEB/ -4.269e-02 6.953e-03 -7.226e-03 2.520e-03 /

5266.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-0.1	+2.3	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-1.0	+1.8	+2.9

Chebyshev(coeffs=[[-1.33436,-2.32312,-0.401295,0.0198748],[10.1309,1.4428,-0.0358879,-0.0893108],[0.500748,0.384139,0.106561,-0.0254325],[-0.139797,-0.0206391,0.0697422,0.0117514],[-0.133921,-0.0487253,0.0116917,0.0137496],[-0.042877,0.00744049,-0.00746722,0.00224583]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.19
S298 (cal/mol*K) = -24.25
G298 (kcal/mol) = 10.41

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(884); C2H3(100), C7H10(884); C5H7(210)+C2H3(100)(+M)=>C7H10(884)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.334e+00 -2.323e+00 -4.013e-01 1.987e-02 / CHEB/ 1.013e+01 1.443e+00 -3.589e-02 -8.931e-02 / CHEB/ 5.007e-01 3.841e-01 1.066e-01 -2.543e-02 / CHEB/ -1.398e-01 -2.064e-02 6.974e-02 1.175e-02 / CHEB/ -1.339e-01 -4.873e-02 1.169e-02 1.375e-02 / CHEB/ -4.288e-02 7.440e-03 -7.467e-03 2.246e-03 /

5267.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-4.7	-2.6	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-5.7	-3.1	-2.2

Chebyshev(coeffs=[[-5.08263,-2.42014,-0.3843,0.022075],[8.76282,1.4538,-0.0657666,-0.0847934],[0.571523,0.407613,0.0969941,-0.0276682],[-0.14754,-0.00668825,0.0733354,0.00821777],[-0.137188,-0.0463938,0.0167869,0.0125314],[-0.0434041,0.00537462,-0.006184,0.00323227]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.88
S298 (cal/mol*K) = -42.67
G298 (kcal/mol) = 21.59

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(885); C2H3(100), C7H10(885); C5H7(210)+C2H3(100)(+M)=>C7H10(885)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.083e+00 -2.420e+00 -3.843e-01 2.207e-02 / CHEB/ 8.763e+00 1.454e+00 -6.577e-02 -8.479e-02 / CHEB/ 5.715e-01 4.076e-01 9.699e-02 -2.767e-02 / CHEB/ -1.475e-01 -6.688e-03 7.334e-02 8.218e-03 / CHEB/ -1.372e-01 -4.639e-02 1.679e-02 1.253e-02 / CHEB/ -4.340e-02 5.375e-03 -6.184e-03 3.232e-03 /

5268.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-9.1	-6.8	-6.0
log₁₀(k(10 bar)/[mole,m,s])	-19.3	-9.9	-7.2	-6.3

Chebyshev(coeffs=[[-11.2265,-2.15463,-0.428649,0.0152704],[11.2632,1.41045,0.017613,-0.0961805],[0.136703,0.338022,0.119686,-0.0192544],[-0.210625,-0.0409133,0.0600758,0.0182337],[-0.149621,-0.0488856,0.00317943,0.0139428],[-0.0470588,0.011401,-0.00835346,-0.000228895]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.09
S298 (cal/mol*K) = -47.82
G298 (kcal/mol) = 10.16

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(886); C2H3(100), C7H10(886); C5H7(210)+C2H3(100)(+M)=>C7H10(886)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.123e+01 -2.155e+00 -4.286e-01 1.527e-02 / CHEB/ 1.126e+01 1.410e+00 1.761e-02 -9.618e-02 / CHEB/ 1.367e-01 3.380e-01 1.197e-01 -1.925e-02 / CHEB/ -2.106e-01 -4.091e-02 6.008e-02 1.823e-02 / CHEB/ -1.496e-01 -4.889e-02 3.179e-03 1.394e-02 / CHEB/ -4.706e-02 1.140e-02 -8.353e-03 -2.289e-04 /

5269.

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PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-2.5	-1.0	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-3.6	-1.7	-1.1

Chebyshev(coeffs=[[-0.921117,-2.62383,-0.348309,0.0256259],[5.69769,1.44564,-0.124322,-0.0724033],[0.662505,0.446374,0.0737806,-0.0314892],[-0.18549,0.0305969,0.0742839,0.00269454],[-0.139194,-0.0343969,0.0263917,0.00835869],[-0.0401167,0.00228252,-0.00142497,0.00342034]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.50
S298 (cal/mol*K) = -44.21
G298 (kcal/mol) = 15.67

! PDep reaction: PDepNetwork #14 ! Flux pairs: C5H7(210), C7H10(710); C2H3(100), C7H10(710); C5H7(210)+C2H3(100)(+M)=>C7H10(710)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.211e-01 -2.624e+00 -3.483e-01 2.563e-02 / CHEB/ 5.698e+00 1.446e+00 -1.243e-01 -7.240e-02 / CHEB/ 6.625e-01 4.464e-01 7.378e-02 -3.149e-02 / CHEB/ -1.855e-01 3.060e-02 7.428e-02 2.695e-03 / CHEB/ -1.392e-01 -3.440e-02 2.639e-02 8.359e-03 / CHEB/ -4.012e-02 2.283e-03 -1.425e-03 3.420e-03 /

5274.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+2.4	+3.1	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-0.0	+2.0	+2.9	+3.2

Chebyshev(coeffs=[[6.64208,-0.887405,-0.497953,-0.179811],[2.16434,0.432622,0.231809,0.0728609],[0.455506,0.222722,0.111251,0.0281923],[0.0412214,0.117844,0.064069,0.0211815],[-0.0516964,-0.00385403,0.00689377,0.0100313],[-0.0440991,-0.0294333,-0.0108681,0.000890568]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.69
S298 (cal/mol*K) = -14.16
G298 (kcal/mol) = -12.47

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(512); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(512)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.642e+00 -8.874e-01 -4.980e-01 -1.798e-01 / CHEB/ 2.164e+00 4.326e-01 2.318e-01 7.286e-02 / CHEB/ 4.555e-01 2.227e-01 1.113e-01 2.819e-02 / CHEB/ 4.122e-02 1.178e-01 6.407e-02 2.118e-02 / CHEB/ -5.170e-02 -3.854e-03 6.894e-03 1.003e-02 / CHEB/ -4.410e-02 -2.943e-02 -1.087e-02 8.906e-04 /

5275.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+3.6	+3.9	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+3.1	+3.7	+3.9

Chebyshev(coeffs=[[8.15856,-0.926439,-0.517187,-0.184431],[1.4571,0.429418,0.229537,0.0715904],[0.31356,0.235851,0.116399,0.02828],[0.0221229,0.126948,0.0676107,0.0211321],[-0.0559888,-0.000124101,0.00887659,0.0105232],[-0.0458417,-0.0290003,-0.0101582,0.00144378]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.88
S298 (cal/mol*K) = -3.27
G298 (kcal/mol) = -24.91

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H9(514); C2H4(72), C#C(513); C5H7(210)+C2H4(72)(+M)=>C5H9(514)+C#C(513)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.159e+00 -9.264e-01 -5.172e-01 -1.844e-01 / CHEB/ 1.457e+00 4.294e-01 2.295e-01 7.159e-02 / CHEB/ 3.136e-01 2.359e-01 1.164e-01 2.828e-02 / CHEB/ 2.212e-02 1.269e-01 6.761e-02 2.113e-02 / CHEB/ -5.599e-02 -1.241e-04 8.877e-03 1.052e-02 / CHEB/ -4.584e-02 -2.900e-02 -1.016e-02 1.444e-03 /

5276.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+2.7	+3.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+2.2	+2.8	+3.0

Chebyshev(coeffs=[[7.45003,-0.936373,-0.52171,-0.185147],[1.25992,0.433118,0.231743,0.0724978],[0.292809,0.243722,0.120266,0.0292713],[0.0360029,0.13138,0.0697472,0.0216333],[-0.0445965,0.00127216,0.00975615,0.0108966],[-0.0401441,-0.0289728,-0.00991866,0.00169483]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.55
S298 (cal/mol*K) = -35.74
G298 (kcal/mol) = -40.90

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(515); C2H4(72), C7H11(515); C5H7(210)+C2H4(72)(+M)=>C7H11(515)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.450e+00 -9.364e-01 -5.217e-01 -1.851e-01 / CHEB/ 1.260e+00 4.331e-01 2.317e-01 7.250e-02 / CHEB/ 2.928e-01 2.437e-01 1.203e-01 2.927e-02 / CHEB/ 3.600e-02 1.314e-01 6.975e-02 2.163e-02 / CHEB/ -4.460e-02 1.272e-03 9.756e-03 1.090e-02 / CHEB/ -4.014e-02 -2.897e-02 -9.919e-03 1.695e-03 /

5277.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+1.5	+2.1	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-0.4	+1.1	+2.0	+2.4

Chebyshev(coeffs=[[6.20801,-0.994761,-0.555665,-0.19791],[1.60065,0.566914,0.308546,0.1011],[0.474609,0.229296,0.11375,0.0283787],[0.112528,0.118155,0.0614048,0.0175951],[-0.0252323,-0.00976905,0.00358837,0.00877206],[-0.0397255,-0.0362035,-0.0138386,0.000542391]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -75.29
S298 (cal/mol*K) = -38.76
G298 (kcal/mol) = -63.74

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(516); C2H4(72), C7H11(516); C5H7(210)+C2H4(72)(+M)=>C7H11(516)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.208e+00 -9.948e-01 -5.557e-01 -1.979e-01 / CHEB/ 1.601e+00 5.669e-01 3.085e-01 1.011e-01 / CHEB/ 4.746e-01 2.293e-01 1.138e-01 2.838e-02 / CHEB/ 1.125e-01 1.182e-01 6.140e-02 1.760e-02 / CHEB/ -2.523e-02 -9.769e-03 3.588e-03 8.772e-03 / CHEB/ -3.973e-02 -3.620e-02 -1.384e-02 5.424e-04 /

5278.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.2	+0.9	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-1.4	+0.8	+1.8

Chebyshev(coeffs=[[-1.14894,-0.535724,-0.319628,-0.132453],[8.7444,0.233682,0.132592,0.0483157],[0.274752,0.168185,0.0927244,0.0314262],[0.0166988,0.0764806,0.0462797,0.0197611],[-0.0603881,-0.0127085,-0.00151217,0.00479915],[-0.0490368,-0.023897,-0.0112185,-0.00189602]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.03
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = 24.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H6(74); C2H4(72), C3H5(98); C5H7(210)+C2H4(72)(+M)=>C3H5(98)+C4H6(74)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.149e+00 -5.357e-01 -3.196e-01 -1.325e-01 / CHEB/ 8.744e+00 2.337e-01 1.326e-01 4.832e-02 / CHEB/ 2.748e-01 1.682e-01 9.272e-02 3.143e-02 / CHEB/ 1.670e-02 7.648e-02 4.628e-02 1.976e-02 / CHEB/ -6.039e-02 -1.271e-02 -1.512e-03 4.799e-03 / CHEB/ -4.904e-02 -2.390e-02 -1.122e-02 -1.896e-03 /

5279.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	+0.6	+2.6	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+0.3	+2.5	+3.5

Chebyshev(coeffs=[[1.59397,-0.615887,-0.361079,-0.144143],[7.40579,0.287011,0.159941,0.0558193],[0.521461,0.181412,0.0974077,0.0307011],[0.0639705,0.0838475,0.0499033,0.020553],[-0.05181,-0.0126979,-0.00036817,0.00608633],[-0.0452001,-0.0258276,-0.0115951,-0.00144222]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.43
S298 (cal/mol*K) = 5.28
G298 (kcal/mol) = 16.86

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H7(518); C2H4(72), C3H4(73); C5H7(210)+C2H4(72)(+M)=>C4H7(518)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.594e+00 -6.159e-01 -3.611e-01 -1.441e-01 / CHEB/ 7.406e+00 2.870e-01 1.599e-01 5.582e-02 / CHEB/ 5.215e-01 1.814e-01 9.741e-02 3.070e-02 / CHEB/ 6.397e-02 8.385e-02 4.990e-02 2.055e-02 / CHEB/ -5.181e-02 -1.270e-02 -3.682e-04 6.086e-03 / CHEB/ -4.520e-02 -2.583e-02 -1.160e-02 -1.442e-03 /

5280.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.8	-7.4	-3.3	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-19.1	-7.6	-3.4	-1.2

Chebyshev(coeffs=[[-11.8292,-0.315641,-0.199964,-0.0936857],[16.0814,0.134026,0.082788,0.0367078],[0.377587,0.113604,0.068321,0.0286365],[0.126753,0.0496895,0.0316652,0.015024],[0.0120058,-0.0120646,-0.00464508,0.000579578],[-0.0148063,-0.0185112,-0.0102426,-0.00343631]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.10
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = 50.24

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(111); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.183e+01 -3.156e-01 -2.000e-01 -9.369e-02 / CHEB/ 1.608e+01 1.340e-01 8.279e-02 3.671e-02 / CHEB/ 3.776e-01 1.136e-01 6.832e-02 2.864e-02 / CHEB/ 1.268e-01 4.969e-02 3.167e-02 1.502e-02 / CHEB/ 1.201e-02 -1.206e-02 -4.645e-03 5.796e-04 / CHEB/ -1.481e-02 -1.851e-02 -1.024e-02 -3.436e-03 /

5281.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-5.6	-2.5	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-5.8	-2.6	-1.1

Chebyshev(coeffs=[[-8.02188,-0.426121,-0.261733,-0.115226],[12.6058,0.174098,0.102492,0.0407837],[0.355154,0.142914,0.0821782,0.0310008],[0.0306305,0.0644011,0.0399307,0.0179368],[-0.0683967,-0.01232,-0.00305882,0.0027611],[-0.0501198,-0.0208806,-0.0105503,-0.00256136]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.91
S298 (cal/mol*K) = -9.95
G298 (kcal/mol) = 38.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(115); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.022e+00 -4.261e-01 -2.617e-01 -1.152e-01 / CHEB/ 1.261e+01 1.741e-01 1.025e-01 4.078e-02 / CHEB/ 3.552e-01 1.429e-01 8.218e-02 3.100e-02 / CHEB/ 3.063e-02 6.440e-02 3.993e-02 1.794e-02 / CHEB/ -6.840e-02 -1.232e-02 -3.059e-03 2.761e-03 / CHEB/ -5.012e-02 -2.088e-02 -1.055e-02 -2.561e-03 /

5282.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-6.2	-2.5	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-17.9	-6.3	-2.5	-0.8

Chebyshev(coeffs=[[-10.907,-0.312732,-0.199049,-0.094091],[16.1447,0.113772,0.0704474,0.031383],[0.0585788,0.112048,0.0676121,0.0285212],[-0.0329116,0.0516015,0.0327408,0.0153912],[-0.064983,-0.0106389,-0.00396908,0.000707371],[-0.0480174,-0.0170472,-0.00932105,-0.00299769]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.97
S298 (cal/mol*K) = 5.33
G298 (kcal/mol) = 49.38

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H9(514); C2H4(72), C2H2(519); C5H7(210)+C2H4(72)(+M)=>C2H2(519)+C5H9(514)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.091e+01 -3.127e-01 -1.990e-01 -9.409e-02 / CHEB/ 1.614e+01 1.138e-01 7.045e-02 3.138e-02 / CHEB/ 5.858e-02 1.120e-01 6.761e-02 2.852e-02 / CHEB/ -3.291e-02 5.160e-02 3.274e-02 1.539e-02 / CHEB/ -6.498e-02 -1.064e-02 -3.969e-03 7.074e-04 / CHEB/ -4.802e-02 -1.705e-02 -9.321e-03 -2.998e-03 /

5283.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-4.0	-1.0	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-4.2	-1.1	+0.4

Chebyshev(coeffs=[[-5.2376,-0.477492,-0.28861,-0.122913],[11.0562,0.218758,0.126122,0.0477924],[0.551422,0.152971,0.0865661,0.0314216],[0.0911102,0.0660502,0.0409397,0.0183784],[-0.0365224,-0.015082,-0.00381045,0.00318978],[-0.0412602,-0.022902,-0.01139,-0.00260019]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.31
S298 (cal/mol*K) = -8.78
G298 (kcal/mol) = 31.92

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(114); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.238e+00 -4.775e-01 -2.886e-01 -1.229e-01 / CHEB/ 1.106e+01 2.188e-01 1.261e-01 4.779e-02 / CHEB/ 5.514e-01 1.530e-01 8.657e-02 3.142e-02 / CHEB/ 9.111e-02 6.605e-02 4.094e-02 1.838e-02 / CHEB/ -3.652e-02 -1.508e-02 -3.810e-03 3.190e-03 / CHEB/ -4.126e-02 -2.290e-02 -1.139e-02 -2.600e-03 /

5284.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-10.7	-6.2	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-24.4	-10.8	-6.3	-4.1

Chebyshev(coeffs=[[-17.1708,-0.265031,-0.171325,-0.0834354],[18.9946,0.0911151,0.0576992,0.0269329],[0.143952,0.0974052,0.0601038,0.0266115],[-0.00993461,0.0455387,0.0292268,0.0140439],[-0.0546687,-0.00963247,-0.00412419,-6.54939e-05],[-0.0428754,-0.0151845,-0.00861661,-0.00309022]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.65
S298 (cal/mol*K) = -6.93
G298 (kcal/mol) = 61.71

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(520); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(520)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.717e+01 -2.650e-01 -1.713e-01 -8.344e-02 / CHEB/ 1.899e+01 9.112e-02 5.770e-02 2.693e-02 / CHEB/ 1.440e-01 9.741e-02 6.010e-02 2.661e-02 / CHEB/ -9.935e-03 4.554e-02 2.923e-02 1.404e-02 / CHEB/ -5.467e-02 -9.632e-03 -4.124e-03 -6.549e-05 / CHEB/ -4.288e-02 -1.518e-02 -8.617e-03 -3.090e-03 /

5285.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-10.0	-5.5	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-10.2	-5.6	-3.5

Chebyshev(coeffs=[[-16.6899,-0.263593,-0.170462,-0.0830775],[19.1725,0.0911398,0.0577418,0.0269787],[0.190844,0.096804,0.0597858,0.026521],[-0.0206595,0.0452254,0.0290462,0.0139761],[-0.0795657,-0.00958649,-0.00412209,-8.8959e-05],[-0.0504146,-0.0151049,-0.00858701,-0.00309531]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.65
S298 (cal/mol*K) = -6.93
G298 (kcal/mol) = 61.71

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(521); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(521)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.669e+01 -2.636e-01 -1.705e-01 -8.308e-02 / CHEB/ 1.917e+01 9.114e-02 5.774e-02 2.698e-02 / CHEB/ 1.908e-01 9.680e-02 5.979e-02 2.652e-02 / CHEB/ -2.066e-02 4.523e-02 2.905e-02 1.398e-02 / CHEB/ -7.957e-02 -9.586e-03 -4.122e-03 -8.896e-05 / CHEB/ -5.041e-02 -1.510e-02 -8.587e-03 -3.095e-03 /

5286.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-10.1	-5.5	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-24.4	-10.2	-5.5	-3.3

Chebyshev(coeffs=[[-17.0426,-0.253402,-0.164427,-0.08065],[19.69,0.0857738,0.0546133,0.0257744],[0.151514,0.093709,0.0581459,0.0260488],[-0.00837719,0.0439972,0.0283213,0.0136854],[-0.053454,-0.00935691,-0.00413277,-0.000234878],[-0.0420063,-0.0147042,-0.00842207,-0.00309842]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.85
S298 (cal/mol*K) = -8.73
G298 (kcal/mol) = 64.45

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(36); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.704e+01 -2.534e-01 -1.644e-01 -8.065e-02 / CHEB/ 1.969e+01 8.577e-02 5.461e-02 2.577e-02 / CHEB/ 1.515e-01 9.371e-02 5.815e-02 2.605e-02 / CHEB/ -8.377e-03 4.400e-02 2.832e-02 1.369e-02 / CHEB/ -5.345e-02 -9.357e-03 -4.133e-03 -2.349e-04 / CHEB/ -4.201e-02 -1.470e-02 -8.422e-03 -3.098e-03 /

5287.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.0	-14.7	-9.2	-6.5
log₁₀(k(10 bar)/[mole,m,s])	-32.1	-14.8	-9.2	-6.5

Chebyshev(coeffs=[[-24.5947,-0.180106,-0.119625,-0.0612555],[24.1543,0.0539813,0.0355225,0.0178704],[0.0469729,0.0691058,0.0444432,0.0214071],[-0.0442059,0.0335672,0.0220522,0.0110687],[-0.0598702,-0.00728374,-0.00383216,-0.00103268],[-0.0407007,-0.0113579,-0.00690989,-0.00295339]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.08
S298 (cal/mol*K) = -8.34
G298 (kcal/mol) = 79.56

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(522); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(522)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.459e+01 -1.801e-01 -1.196e-01 -6.126e-02 / CHEB/ 2.415e+01 5.398e-02 3.552e-02 1.787e-02 / CHEB/ 4.697e-02 6.911e-02 4.444e-02 2.141e-02 / CHEB/ -4.421e-02 3.357e-02 2.205e-02 1.107e-02 / CHEB/ -5.987e-02 -7.284e-03 -3.832e-03 -1.033e-03 / CHEB/ -4.070e-02 -1.136e-02 -6.910e-03 -2.953e-03 /

5288.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+3.5	+3.4	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+2.5	+3.8	+4.0	+4.0

Chebyshev(coeffs=[[8.30411,0.439914,-0.490572,-0.0308976],[0.809771,0.90609,0.130969,-0.0592863],[0.0873091,0.272422,0.13909,0.00446406],[-0.105766,0.126372,0.0620214,0.0139052],[-0.0850039,0.0468789,0.0186499,0.00732816],[-0.0362737,0.00089505,0.00602954,0.0040824]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -82.48
S298 (cal/mol*K) = -36.74
G298 (kcal/mol) = -71.53

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(549); H(25), C7H11(549); C7H10(18)+H(25)(+M)=>C7H11(549)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.304e+00 4.399e-01 -4.906e-01 -3.090e-02 / CHEB/ 8.098e-01 9.061e-01 1.310e-01 -5.929e-02 / CHEB/ 8.731e-02 2.724e-01 1.391e-01 4.464e-03 / CHEB/ -1.058e-01 1.264e-01 6.202e-02 1.391e-02 / CHEB/ -8.500e-02 4.688e-02 1.865e-02 7.328e-03 / CHEB/ -3.627e-02 8.951e-04 6.030e-03 4.082e-03 /

5289.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+1.1	+1.8	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+0.5	+1.5	+2.0

Chebyshev(coeffs=[[5.52578,-1.41017,-0.464208,-0.0396199],[1.9887,0.988332,0.17875,-0.0543795],[0.415448,0.224251,0.147833,0.0214971],[0.0965689,0.0758403,0.052198,0.0225085],[0.01334,0.0229079,0.0101647,0.00810271],[-0.0158589,-0.00737118,0.00127807,0.00297191]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.97
S298 (cal/mol*K) = -38.44
G298 (kcal/mol) = -79.51

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(550); H(25), C7H11(550); C7H10(18)+H(25)(+M)=>C7H11(550)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.526e+00 -1.410e+00 -4.642e-01 -3.962e-02 / CHEB/ 1.989e+00 9.883e-01 1.788e-01 -5.438e-02 / CHEB/ 4.154e-01 2.243e-01 1.478e-01 2.150e-02 / CHEB/ 9.657e-02 7.584e-02 5.220e-02 2.251e-02 / CHEB/ 1.334e-02 2.291e-02 1.016e-02 8.103e-03 / CHEB/ -1.586e-02 -7.371e-03 1.278e-03 2.972e-03 /

5290.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.1	+6.3	+6.8	+7.1
log₁₀(k(10 bar)/[mole,m,s])	+4.0	+5.7	+6.6	+7.0

Chebyshev(coeffs=[[10.9304,-1.43561,-0.467467,-0.0376526],[1.63579,0.984065,0.172594,-0.0553353],[0.334166,0.238438,0.148809,0.0186806],[0.0905138,0.0838353,0.0550527,0.0217911],[0.0170115,0.0245482,0.0114455,0.00855879],[-0.0141308,-0.00756784,0.00159604,0.0033257]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.75
S298 (cal/mol*K) = 6.76
G298 (kcal/mol) = -46.76

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H5(99); H(25), C3H6(551); C7H10(18)+H(25)(+M)=>C4H5(99)+C3H6(551)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.093e+01 -1.436e+00 -4.675e-01 -3.765e-02 / CHEB/ 1.636e+00 9.841e-01 1.726e-01 -5.534e-02 / CHEB/ 3.342e-01 2.384e-01 1.488e-01 1.868e-02 / CHEB/ 9.051e-02 8.384e-02 5.505e-02 2.179e-02 / CHEB/ 1.701e-02 2.455e-02 1.145e-02 8.559e-03 / CHEB/ -1.413e-02 -7.568e-03 1.596e-03 3.326e-03 /

5291.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	+0.9	+3.4	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+0.6	+3.3	+4.7

Chebyshev(coeffs=[[1.10956,-0.822749,-0.384885,-0.0894969],[8.8415,0.651187,0.246947,0.0141695],[0.624223,0.0851607,0.0796321,0.0410575],[0.140041,0.0398192,0.0237532,0.0132044],[0.0129875,0.0147034,0.00705266,0.00259345],[-0.0152643,-0.00889729,-0.00170933,0.00143796]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.61
S298 (cal/mol*K) = 16.75
G298 (kcal/mol) = 15.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H5(99); H(25), C3H6(552); C7H10(18)+H(25)(+M)=>C4H5(99)+C3H6(552)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.110e+00 -8.227e-01 -3.849e-01 -8.950e-02 / CHEB/ 8.842e+00 6.512e-01 2.469e-01 1.417e-02 / CHEB/ 6.242e-01 8.516e-02 7.963e-02 4.106e-02 / CHEB/ 1.400e-01 3.982e-02 2.375e-02 1.320e-02 / CHEB/ 1.299e-02 1.470e-02 7.053e-03 2.593e-03 / CHEB/ -1.526e-02 -8.897e-03 -1.709e-03 1.438e-03 /

5292.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-1.3	+2.1	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-1.5	+2.0	+3.8

Chebyshev(coeffs=[[-3.7126,-0.540515,-0.296159,-0.1008],[12.9986,0.404589,0.197785,0.0458941],[0.412414,0.0603485,0.04888,0.0292812],[0.12361,0.0406942,0.0230425,0.0092916],[0.0135245,0.0129937,0.00773941,0.00323507],[-0.0148199,-0.00850371,-0.00279779,0.000788296]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.44
S298 (cal/mol*K) = 19.74
G298 (kcal/mol) = 31.56

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(553); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(553)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.713e+00 -5.405e-01 -2.962e-01 -1.008e-01 / CHEB/ 1.300e+01 4.046e-01 1.978e-01 4.589e-02 / CHEB/ 4.124e-01 6.035e-02 4.888e-02 2.928e-02 / CHEB/ 1.236e-01 4.069e-02 2.304e-02 9.292e-03 / CHEB/ 1.352e-02 1.299e-02 7.739e-03 3.235e-03 / CHEB/ -1.482e-02 -8.504e-03 -2.798e-03 7.883e-04 /

5293.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-1.2	+1.6	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-1.5	+1.5	+3.1

Chebyshev(coeffs=[[-1.21556,-0.833803,-0.387457,-0.0886409],[9.35109,0.660788,0.247751,0.0125908],[0.775429,0.0861141,0.0809758,0.0413503],[0.182293,0.0397709,0.023826,0.0134221],[0.0268865,0.0147763,0.00700774,0.00259174],[-0.0103312,-0.00888837,-0.00165688,0.00144722]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.09
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = 19.31

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(116); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.216e+00 -8.338e-01 -3.875e-01 -8.864e-02 / CHEB/ 9.351e+00 6.608e-01 2.478e-01 1.259e-02 / CHEB/ 7.754e-01 8.611e-02 8.098e-02 4.135e-02 / CHEB/ 1.823e-01 3.977e-02 2.383e-02 1.342e-02 / CHEB/ 2.689e-02 1.478e-02 7.008e-03 2.592e-03 / CHEB/ -1.033e-02 -8.888e-03 -1.657e-03 1.447e-03 /

5294.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-1.2	+1.6	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-1.5	+1.5	+3.1

H298 (kcal/mol) = 20.09
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = 19.31

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(118); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.216e+00 -8.338e-01 -3.875e-01 -8.864e-02 / CHEB/ 9.351e+00 6.608e-01 2.478e-01 1.259e-02 / CHEB/ 7.754e-01 8.611e-02 8.098e-02 4.135e-02 / CHEB/ 1.823e-01 3.977e-02 2.383e-02 1.342e-02 / CHEB/ 2.689e-02 1.478e-02 7.008e-03 2.592e-03 / CHEB/ -1.033e-02 -8.888e-03 -1.657e-03 1.447e-03 /

5295.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-3.1	+0.2	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-3.3	+0.1	+2.0

Chebyshev(coeffs=[[-4.79712,-0.653352,-0.336925,-0.0992261],[11.9441,0.503288,0.223864,0.0357845],[0.669081,0.0703244,0.0603716,0.0349224],[0.183805,0.0406676,0.023186,0.0104096],[0.0304556,0.0136893,0.00757396,0.00286627],[-0.00931566,-0.00886071,-0.00244052,0.00115755]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.49
S298 (cal/mol*K) = 3.30
G298 (kcal/mol) = 30.51

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(120); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.797e+00 -6.534e-01 -3.369e-01 -9.923e-02 / CHEB/ 1.194e+01 5.033e-01 2.239e-01 3.578e-02 / CHEB/ 6.691e-01 7.032e-02 6.037e-02 3.492e-02 / CHEB/ 1.838e-01 4.067e-02 2.319e-02 1.041e-02 / CHEB/ 3.046e-02 1.369e-02 7.574e-03 2.866e-03 / CHEB/ -9.316e-03 -8.861e-03 -2.441e-03 1.158e-03 /

5296.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+5.1	+5.4	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+3.0	+4.5	+5.1	+5.5

Chebyshev(coeffs=[[9.81974,-1.46071,-0.472439,-0.0364732],[1.36654,0.97014,0.163997,-0.0565962],[0.23133,0.246506,0.147406,0.0156811],[0.061768,0.0923333,0.0570045,0.0204135],[0.00975892,0.0286284,0.0131058,0.00853652],[-0.0163566,-0.00609896,0.00251367,0.0035872]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.17
S298 (cal/mol*K) = -33.22
G298 (kcal/mol) = -62.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(554); H(25), C7H11(554); C7H10(18)+H(25)(+M)=>C7H11(554)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.820e+00 -1.461e+00 -4.724e-01 -3.647e-02 / CHEB/ 1.367e+00 9.701e-01 1.640e-01 -5.660e-02 / CHEB/ 2.313e-01 2.465e-01 1.474e-01 1.568e-02 / CHEB/ 6.177e-02 9.233e-02 5.700e-02 2.041e-02 / CHEB/ 9.759e-03 2.863e-02 1.311e-02 8.537e-03 / CHEB/ -1.636e-02 -6.099e-03 2.514e-03 3.587e-03 /

5297.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.3	+5.6	+5.5	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+4.1	+4.9	+5.2	+5.3

Chebyshev(coeffs=[[10.7041,-1.51481,-0.481702,-0.0331906],[0.566589,0.941068,0.147139,-0.0581991],[-0.0202053,0.265536,0.144596,0.00949065],[0.00238789,0.111843,0.0609301,0.0172664],[0.000594834,0.0375634,0.0164249,0.00832549],[-0.0177189,-0.00337473,0.00429999,0.00408417]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -109.88
S298 (cal/mol*K) = -47.90
G298 (kcal/mol) = -95.60

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(555); H(25), C7H11(555); C7H10(18)+H(25)(+M)=>C7H11(555)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.070e+01 -1.515e+00 -4.817e-01 -3.319e-02 / CHEB/ 5.666e-01 9.411e-01 1.471e-01 -5.820e-02 / CHEB/ -2.021e-02 2.655e-01 1.446e-01 9.491e-03 / CHEB/ 2.388e-03 1.118e-01 6.093e-02 1.727e-02 / CHEB/ 5.948e-04 3.756e-02 1.642e-02 8.325e-03 / CHEB/ -1.772e-02 -3.375e-03 4.300e-03 4.084e-03 /

5298.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+5.2	+5.4	+5.5
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+4.5	+5.1	+5.4

Chebyshev(coeffs=[[10.0402,-1.47381,-0.474703,-0.0356998],[1.13872,0.96373,0.159926,-0.0570791],[0.163436,0.251433,0.146878,0.0141604],[0.0452445,0.096906,0.0580559,0.019715],[0.00640472,0.0305682,0.0139111,0.00854101],[-0.0172008,-0.00554456,0.00291868,0.00372475]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.51
S298 (cal/mol*K) = -30.31
G298 (kcal/mol) = -58.48

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(556); H(25), C7H11(556); C7H10(18)+H(25)(+M)=>C7H11(556)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.004e+01 -1.474e+00 -4.747e-01 -3.570e-02 / CHEB/ 1.139e+00 9.637e-01 1.599e-01 -5.708e-02 / CHEB/ 1.634e-01 2.514e-01 1.469e-01 1.416e-02 / CHEB/ 4.524e-02 9.691e-02 5.806e-02 1.971e-02 / CHEB/ 6.405e-03 3.057e-02 1.391e-02 8.541e-03 / CHEB/ -1.720e-02 -5.545e-03 2.919e-03 3.725e-03 /

5299.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+1.7	+3.8	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+1.4	+3.6	+4.9

Chebyshev(coeffs=[[3.63748,-1.07973,-0.427978,-0.066316],[6.23437,0.867298,0.242777,-0.0233041],[0.860129,0.109424,0.113408,0.0435318],[0.155702,0.0412262,0.0277756,0.0189445],[0.0208775,0.016566,0.00578407,0.00320664],[-0.0119402,-0.00863439,-0.000509882,0.00153783]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = 8.04
G298 (kcal/mol) = -4.17

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(210); H(25), C2H4(495); C7H10(18)+H(25)(+M)=>C5H7(210)+C2H4(495)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.637e+00 -1.080e+00 -4.280e-01 -6.632e-02 / CHEB/ 6.234e+00 8.673e-01 2.428e-01 -2.330e-02 / CHEB/ 8.601e-01 1.094e-01 1.134e-01 4.353e-02 / CHEB/ 1.557e-01 4.123e-02 2.778e-02 1.894e-02 / CHEB/ 2.088e-02 1.657e-02 5.784e-03 3.207e-03 / CHEB/ -1.194e-02 -8.634e-03 -5.099e-04 1.538e-03 /

5300.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-2.1	+1.1	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-2.3	+1.1	+2.9

Chebyshev(coeffs=[[-3.4342,-0.683258,-0.346554,-0.0980589],[11.429,0.529455,0.229376,0.032422],[0.675563,0.0729685,0.0635914,0.0362215],[0.180937,0.0405493,0.0232356,0.0108165],[0.0288114,0.0138618,0.00750452,0.00278785],[-0.00992391,-0.00890087,-0.00232476,0.00122942]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.86
S298 (cal/mol*K) = 8.50
G298 (kcal/mol) = 18.33

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(557); H(25), CH3(423); C7H10(18)+H(25)(+M)=>C6H8(557)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.434e+00 -6.833e-01 -3.466e-01 -9.806e-02 / CHEB/ 1.143e+01 5.295e-01 2.294e-01 3.242e-02 / CHEB/ 6.756e-01 7.297e-02 6.359e-02 3.622e-02 / CHEB/ 1.809e-01 4.055e-02 2.324e-02 1.082e-02 / CHEB/ 2.881e-02 1.386e-02 7.505e-03 2.788e-03 / CHEB/ -9.924e-03 -8.901e-03 -2.325e-03 1.229e-03 /

5301.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.7	-5.7	-2.1	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-5.9	-2.2	-0.2

Chebyshev(coeffs=[[-7.70219,-0.615742,-0.323053,-0.0992821],[12.5717,0.480861,0.220067,0.0399071],[0.717781,0.0625272,0.055176,0.0335324],[0.19634,0.0381631,0.0216983,0.00960154],[0.0340795,0.0125545,0.00708553,0.00272903],[-0.00794328,-0.00903424,-0.00275227,0.00094403]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.14
S298 (cal/mol*K) = -3.22
G298 (kcal/mol) = 34.10

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(558); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(558)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.702e+00 -6.157e-01 -3.231e-01 -9.928e-02 / CHEB/ 1.257e+01 4.809e-01 2.201e-01 3.991e-02 / CHEB/ 7.178e-01 6.253e-02 5.518e-02 3.353e-02 / CHEB/ 1.963e-01 3.816e-02 2.170e-02 9.602e-03 / CHEB/ 3.408e-02 1.255e-02 7.086e-03 2.729e-03 / CHEB/ -7.943e-03 -9.034e-03 -2.752e-03 9.440e-04 /

5304.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.2	-4.2	-0.4	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-4.5	-0.6	+1.3

Chebyshev(coeffs=[[-8.48558,-0.71335,-0.379439,-0.126361],[15.5526,0.434823,0.211901,0.0554181],[0.258616,0.12224,0.0675895,0.0238868],[0.0365613,0.0802693,0.03917,0.00935638],[-0.0233398,0.00850688,0.00830351,0.00497197],[-0.0310691,-0.0188248,-0.00607304,0.00126678]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.47
S298 (cal/mol*K) = 38.68
G298 (kcal/mol) = 28.94

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(523); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(523)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.486e+00 -7.134e-01 -3.794e-01 -1.264e-01 / CHEB/ 1.555e+01 4.348e-01 2.119e-01 5.542e-02 / CHEB/ 2.586e-01 1.222e-01 6.759e-02 2.389e-02 / CHEB/ 3.656e-02 8.027e-02 3.917e-02 9.356e-03 / CHEB/ -2.334e-02 8.507e-03 8.304e-03 4.972e-03 / CHEB/ -3.107e-02 -1.882e-02 -6.073e-03 1.267e-03 /

5305.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	+0.5	+2.6	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-6.8	+0.0	+2.4	+3.5

Chebyshev(coeffs=[[0.32756,-1.43952,-0.621911,-0.111325],[8.91968,1.08271,0.390058,0.010571],[0.306683,0.155765,0.102373,0.0377389],[0.0159047,0.0613827,0.0259424,0.00579844],[-0.0376279,0.00999066,0.0085698,0.00423135],[-0.0354284,-0.0151477,-0.000752524,0.00451474]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.84
S298 (cal/mol*K) = 50.65
G298 (kcal/mol) = 1.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H4(524); H(25), C3H7(431); C7H10(1)+H(25)(+M)=>C4H4(524)+C3H7(431)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.276e-01 -1.440e+00 -6.219e-01 -1.113e-01 / CHEB/ 8.920e+00 1.083e+00 3.901e-01 1.057e-02 / CHEB/ 3.067e-01 1.558e-01 1.024e-01 3.774e-02 / CHEB/ 1.590e-02 6.138e-02 2.594e-02 5.798e-03 / CHEB/ -3.763e-02 9.991e-03 8.570e-03 4.231e-03 / CHEB/ -3.543e-02 -1.515e-02 -7.525e-04 4.515e-03 /

5306.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-1.3	+2.1	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-1.6	+2.0	+3.7

Chebyshev(coeffs=[[-5.7424,-0.672943,-0.361169,-0.123222],[15.4983,0.390468,0.191694,0.0517443],[0.0119818,0.120878,0.0664589,0.0232802],[-0.0312728,0.0817142,0.0404436,0.0100789],[-0.0440339,0.00948878,0.00858505,0.00489073],[-0.0379665,-0.0181845,-0.00604317,0.0010344]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.41
S298 (cal/mol*K) = 54.02
G298 (kcal/mol) = 31.31

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H6(525); H(25), C2H5(419); C7H10(1)+H(25)(+M)=>C5H6(525)+C2H5(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.742e+00 -6.729e-01 -3.612e-01 -1.232e-01 / CHEB/ 1.550e+01 3.905e-01 1.917e-01 5.174e-02 / CHEB/ 1.198e-02 1.209e-01 6.646e-02 2.328e-02 / CHEB/ -3.127e-02 8.171e-02 4.044e-02 1.008e-02 / CHEB/ -4.403e-02 9.489e-03 8.585e-03 4.891e-03 / CHEB/ -3.797e-02 -1.818e-02 -6.043e-03 1.034e-03 /

5307.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.1	-6.4	-1.5	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-22.3	-6.6	-1.5	+0.8

Chebyshev(coeffs=[[-15.0993,-0.393188,-0.226545,-0.0896897],[22.161,0.201484,0.106402,0.034313],[-0.117813,0.0788145,0.0454757,0.0178526],[-0.0740219,0.0629229,0.0357123,0.0132838],[-0.054366,0.00687858,0.00635551,0.004133],[-0.0379723,-0.0141976,-0.00646357,-0.00109455]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.04
S298 (cal/mol*K) = 53.10
G298 (kcal/mol) = 54.22

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(526); H(25), CH3(423); C7H10(1)+H(25)(+M)=>C6H8(526)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.510e+01 -3.932e-01 -2.265e-01 -8.969e-02 / CHEB/ 2.216e+01 2.015e-01 1.064e-01 3.431e-02 / CHEB/ -1.178e-01 7.881e-02 4.548e-02 1.785e-02 / CHEB/ -7.402e-02 6.292e-02 3.571e-02 1.328e-02 / CHEB/ -5.437e-02 6.879e-03 6.356e-03 4.133e-03 / CHEB/ -3.797e-02 -1.420e-02 -6.464e-03 -1.095e-03 /

5308.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.8	-9.7	-3.6	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-28.1	-9.9	-3.7	-0.6

Chebyshev(coeffs=[[-20.4994,-0.429302,-0.241525,-0.0885321],[25.7109,0.196632,0.101109,0.0284766],[0.133029,0.120057,0.0636852,0.01947],[0.0450407,0.0762057,0.0427658,0.0154914],[0.00382232,0.00366907,0.00664001,0.00634339],[-0.0121118,-0.0199103,-0.00817708,-0.00027537]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.67
S298 (cal/mol*K) = 45.28
G298 (kcal/mol) = 66.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(116); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.050e+01 -4.293e-01 -2.415e-01 -8.853e-02 / CHEB/ 2.571e+01 1.966e-01 1.011e-01 2.848e-02 / CHEB/ 1.330e-01 1.201e-01 6.369e-02 1.947e-02 / CHEB/ 4.504e-02 7.621e-02 4.277e-02 1.549e-02 / CHEB/ 3.822e-03 3.669e-03 6.640e-03 6.343e-03 / CHEB/ -1.211e-02 -1.991e-02 -8.177e-03 -2.754e-04 /

5309.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-4.2	+0.2	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-18.3	-4.4	+0.1	+2.2

Chebyshev(coeffs=[[-11.1079,-0.490137,-0.273691,-0.102306],[19.4471,0.263128,0.133732,0.0399375],[-0.0452838,0.0950387,0.0537427,0.0202077],[-0.0487997,0.0714472,0.0387491,0.0127911],[-0.0473845,0.00799884,0.00738431,0.00451746],[-0.0372469,-0.0160728,-0.0066156,-0.000468274]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.52
S298 (cal/mol*K) = 56.25
G298 (kcal/mol) = 43.76

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H4(527); H(25), C3H7(431); C7H10(1)+H(25)(+M)=>C4H4(527)+C3H7(431)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.111e+01 -4.901e-01 -2.737e-01 -1.023e-01 / CHEB/ 1.945e+01 2.631e-01 1.337e-01 3.994e-02 / CHEB/ -4.528e-02 9.504e-02 5.374e-02 2.021e-02 / CHEB/ -4.880e-02 7.145e-02 3.875e-02 1.279e-02 / CHEB/ -4.738e-02 7.999e-03 7.384e-03 4.517e-03 / CHEB/ -3.725e-02 -1.607e-02 -6.616e-03 -4.683e-04 /

5310.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.0	-6.6	-1.9	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-6.8	-2.0	+0.5

Chebyshev(coeffs=[[-13.1725,-0.532843,-0.286066,-0.102379],[19.3797,0.288392,0.139061,0.0394338],[0.127778,0.0988425,0.0549266,0.0199333],[0.100223,0.0766808,0.0386541,0.0113062],[0.0770595,0.0117583,0.00834573,0.00396385],[0.0103808,-0.0144674,-0.00514695,6.89117e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.28
S298 (cal/mol*K) = 39.95
G298 (kcal/mol) = 46.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(69); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.317e+01 -5.328e-01 -2.861e-01 -1.024e-01 / CHEB/ 1.938e+01 2.884e-01 1.391e-01 3.943e-02 / CHEB/ 1.278e-01 9.884e-02 5.493e-02 1.993e-02 / CHEB/ 1.002e-01 7.668e-02 3.865e-02 1.131e-02 / CHEB/ 7.706e-02 1.176e-02 8.346e-03 3.964e-03 / CHEB/ 1.038e-02 -1.447e-02 -5.147e-03 6.891e-05 /

5311.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-8.3	-3.1	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-24.4	-8.5	-3.2	-0.7

Chebyshev(coeffs=[[-17.0398,-0.407701,-0.233648,-0.0916189],[22.4117,0.210541,0.110391,0.0350928],[0.0478071,0.0813009,0.0467528,0.0182289],[-0.0245064,0.0643112,0.0362634,0.0132726],[-0.0381889,0.00706165,0.00653122,0.00420737],[-0.0325728,-0.0145073,-0.00650812,-0.00101263]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.41
S298 (cal/mol*K) = 43.17
G298 (kcal/mol) = 56.55

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(528); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(528)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.704e+01 -4.077e-01 -2.336e-01 -9.162e-02 / CHEB/ 2.241e+01 2.105e-01 1.104e-01 3.509e-02 / CHEB/ 4.781e-02 8.130e-02 4.675e-02 1.823e-02 / CHEB/ -2.451e-02 6.431e-02 3.626e-02 1.327e-02 / CHEB/ -3.819e-02 7.062e-03 6.531e-03 4.207e-03 / CHEB/ -3.257e-02 -1.451e-02 -6.508e-03 -1.013e-03 /

5312.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.2	-11.2	-4.5	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-11.3	-4.6	-1.3

Chebyshev(coeffs=[[-23.5423,-0.268491,-0.16326,-0.0712229],[28.1071,0.135908,0.0777606,0.0296562],[0.209085,0.0557552,0.0337647,0.0145328],[0.00876933,0.0471154,0.0283703,0.0120461],[-0.0266205,0.00359356,0.00369266,0.00283639],[-0.0251416,-0.0115503,-0.00605605,-0.00178479]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.99
S298 (cal/mol*K) = 43.45
G298 (kcal/mol) = 74.04

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(529); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(529)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.354e+01 -2.685e-01 -1.633e-01 -7.122e-02 / CHEB/ 2.811e+01 1.359e-01 7.776e-02 2.966e-02 / CHEB/ 2.091e-01 5.576e-02 3.376e-02 1.453e-02 / CHEB/ 8.769e-03 4.712e-02 2.837e-02 1.205e-02 / CHEB/ -2.662e-02 3.594e-03 3.693e-03 2.836e-03 / CHEB/ -2.514e-02 -1.155e-02 -6.056e-03 -1.785e-03 /

5313.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+1.5	+3.2	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-4.8	+1.0	+3.0	+3.9

Chebyshev(coeffs=[[2.44555,-1.77965,-0.662477,-0.0727197],[7.15679,1.41417,0.394048,-0.043124],[0.297788,0.159341,0.129465,0.0441719],[0.00268695,0.0431745,0.0227315,0.00982247],[-0.0350623,0.00773413,0.00625406,0.00351098],[-0.0336584,-0.0129883,0.000491202,0.00449658]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.06
S298 (cal/mol*K) = 6.20
G298 (kcal/mol) = -12.90

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(530); H(25), C7H11(530); C7H10(1)+H(25)(+M)=>C7H11(530)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.446e+00 -1.780e+00 -6.625e-01 -7.272e-02 / CHEB/ 7.157e+00 1.414e+00 3.940e-01 -4.312e-02 / CHEB/ 2.978e-01 1.593e-01 1.295e-01 4.417e-02 / CHEB/ 2.687e-03 4.317e-02 2.273e-02 9.822e-03 / CHEB/ -3.506e-02 7.734e-03 6.254e-03 3.511e-03 / CHEB/ -3.366e-02 -1.299e-02 4.912e-04 4.497e-03 /

5314.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.1	-12.2	-5.8	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-32.3	-12.3	-5.9	-2.8

Chebyshev(coeffs=[[-24.689,-0.256421,-0.157217,-0.0696264],[28.0964,0.118852,0.0688228,0.0268996],[-0.0858258,0.0549167,0.0330441,0.0140416],[-0.0738437,0.0476698,0.0286958,0.0121723],[-0.0517404,0.00481435,0.00428304,0.00298134],[-0.0332799,-0.0107887,-0.00563691,-0.00164147]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.70
S298 (cal/mol*K) = 48.51
G298 (kcal/mol) = 74.24

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(531); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(531)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.469e+01 -2.564e-01 -1.572e-01 -6.963e-02 / CHEB/ 2.810e+01 1.189e-01 6.882e-02 2.690e-02 / CHEB/ -8.583e-02 5.492e-02 3.304e-02 1.404e-02 / CHEB/ -7.384e-02 4.767e-02 2.870e-02 1.217e-02 / CHEB/ -5.174e-02 4.814e-03 4.283e-03 2.981e-03 / CHEB/ -3.328e-02 -1.079e-02 -5.637e-03 -1.641e-03 /

5315.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-49.1	-19.6	-10.1	-5.5
log₁₀(k(10 bar)/[mole,m,s])	-49.2	-19.6	-10.1	-5.5

Chebyshev(coeffs=[[-40.8823,-0.0766975,-0.0514409,-0.0268134],[41.7689,0.0179299,0.0119565,0.00616983],[-0.207653,0.023735,0.015598,0.00783203],[-0.119137,0.0192351,0.012631,0.00633535],[-0.0583303,0.00167341,0.00123843,0.000751763],[-0.0279779,-0.00442897,-0.00278151,-0.00127662]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 125.01
S298 (cal/mol*K) = 57.67
G298 (kcal/mol) = 107.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(532); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C5H8(532)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.088e+01 -7.670e-02 -5.144e-02 -2.681e-02 / CHEB/ 4.177e+01 1.793e-02 1.196e-02 6.170e-03 / CHEB/ -2.077e-01 2.373e-02 1.560e-02 7.832e-03 / CHEB/ -1.191e-01 1.924e-02 1.263e-02 6.335e-03 / CHEB/ -5.833e-02 1.673e-03 1.238e-03 7.518e-04 / CHEB/ -2.798e-02 -4.429e-03 -2.782e-03 -1.277e-03 /

5316.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-2.0	+0.9	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-2.4	+0.8	+2.3

Chebyshev(coeffs=[[-4.04143,-1.02039,-0.504755,-0.136589],[11.9632,0.70705,0.314413,0.055905],[0.349604,0.138692,0.0796061,0.0285021],[0.0519248,0.0763341,0.033208,0.00561305],[-0.0204308,0.00920579,0.00897507,0.00518028],[-0.0307829,-0.018572,-0.00388763,0.00325369]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.99
S298 (cal/mol*K) = 14.08
G298 (kcal/mol) = -24.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(533); H(25), C7H11(533); C7H10(1)+H(25)(+M)=>C7H11(533)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.041e+00 -1.020e+00 -5.048e-01 -1.366e-01 / CHEB/ 1.196e+01 7.070e-01 3.144e-01 5.590e-02 / CHEB/ 3.496e-01 1.387e-01 7.961e-02 2.850e-02 / CHEB/ 5.192e-02 7.633e-02 3.321e-02 5.613e-03 / CHEB/ -2.043e-02 9.206e-03 8.975e-03 5.180e-03 / CHEB/ -3.078e-02 -1.857e-02 -3.888e-03 3.254e-03 /

5317.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-6.6	-2.8	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-6.9	-2.9	-0.9

Chebyshev(coeffs=[[-10.4239,-0.772799,-0.404685,-0.129123],[14.9329,0.517295,0.248186,0.0608159],[0.505334,0.117455,0.0669327,0.0250103],[0.0993601,0.074705,0.0359419,0.00837077],[-0.00507212,0.00608486,0.00751277,0.00508306],[-0.0254159,-0.0199813,-0.00635239,0.00143922]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.79
S298 (cal/mol*K) = 14.96
G298 (kcal/mol) = -24.24

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(534); H(25), C7H11(534); C7H10(1)+H(25)(+M)=>C7H11(534)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.042e+01 -7.728e-01 -4.047e-01 -1.291e-01 / CHEB/ 1.493e+01 5.173e-01 2.482e-01 6.082e-02 / CHEB/ 5.053e-01 1.175e-01 6.693e-02 2.501e-02 / CHEB/ 9.936e-02 7.471e-02 3.594e-02 8.371e-03 / CHEB/ -5.072e-03 6.085e-03 7.513e-03 5.083e-03 / CHEB/ -2.542e-02 -1.998e-02 -6.352e-03 1.439e-03 /

5318.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.5	+3.2	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-2.1	+1.7	+2.8	+3.3

Chebyshev(coeffs=[[5.41147,-2.67655,-0.588298,-0.00466109],[3.806,2.19167,0.181835,-0.111675],[0.151855,0.268769,0.212934,0.0175176],[-0.0333267,0.00241025,0.0461099,0.0209929],[-0.0297668,-0.0109881,0.00268966,0.00767979],[-0.026775,-0.0115375,-0.000559314,0.00492381]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.72
S298 (cal/mol*K) = 11.90
G298 (kcal/mol) = -25.26

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(435); H(25), C7H11(435); C7H10(1)+H(25)(+M)=>C7H11(435)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.411e+00 -2.677e+00 -5.883e-01 -4.661e-03 / CHEB/ 3.806e+00 2.192e+00 1.818e-01 -1.117e-01 / CHEB/ 1.519e-01 2.688e-01 2.129e-01 1.752e-02 / CHEB/ -3.333e-02 2.410e-03 4.611e-02 2.099e-02 / CHEB/ -2.977e-02 -1.099e-02 2.690e-03 7.680e-03 / CHEB/ -2.677e-02 -1.154e-02 -5.593e-04 4.924e-03 /

5319.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+2.3	+3.9	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+1.7	+3.6	+4.5

Chebyshev(coeffs=[[3.73288,-2.01667,-0.652788,-0.0454963],[6.37078,1.68239,0.360251,-0.0763185],[0.39963,0.144427,0.157141,0.0462704],[0.0252177,0.0274522,0.0216021,0.0142178],[-0.0236365,0.00646949,0.00371418,0.00344033],[-0.02918,-0.0120029,0.000615549,0.00417194]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.36
S298 (cal/mol*K) = 18.98
G298 (kcal/mol) = -13.01

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(535); H(25), C7H11(535); C7H10(1)+H(25)(+M)=>C7H11(535)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.733e+00 -2.017e+00 -6.528e-01 -4.550e-02 / CHEB/ 6.371e+00 1.682e+00 3.603e-01 -7.632e-02 / CHEB/ 3.996e-01 1.444e-01 1.571e-01 4.627e-02 / CHEB/ 2.522e-02 2.745e-02 2.160e-02 1.422e-02 / CHEB/ -2.364e-02 6.469e-03 3.714e-03 3.440e-03 / CHEB/ -2.918e-02 -1.200e-02 6.155e-04 4.172e-03 /

5320.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-2.3	-0.6	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-2.9	-0.9	+0.0

Chebyshev(coeffs=[[-1.12161,-1.8961,-0.659296,-0.0581652],[6.80955,1.55236,0.381624,-0.0611571],[0.373272,0.14822,0.142399,0.0464851],[0.0204482,0.0351012,0.0216257,0.0119056],[-0.0270141,0.00757902,0.00510358,0.00334519],[-0.0306972,-0.0125035,0.000585836,0.0043386]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.71
S298 (cal/mol*K) = 17.27
G298 (kcal/mol) = -9.85

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(536); H(25), C7H11(536); C7H10(1)+H(25)(+M)=>C7H11(536)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.122e+00 -1.896e+00 -6.593e-01 -5.817e-02 / CHEB/ 6.810e+00 1.552e+00 3.816e-01 -6.116e-02 / CHEB/ 3.733e-01 1.482e-01 1.424e-01 4.649e-02 / CHEB/ 2.045e-02 3.510e-02 2.163e-02 1.191e-02 / CHEB/ -2.701e-02 7.579e-03 5.104e-03 3.345e-03 / CHEB/ -3.070e-02 -1.250e-02 5.858e-04 4.339e-03 /

5321.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	+0.5	+2.2	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-5.4	-0.1	+1.9	+2.8

Chebyshev(coeffs=[[2.02136,-1.94024,-0.608872,-0.0168671],[6.40492,1.63824,0.355551,-0.0810606],[0.40096,0.114843,0.124889,0.0296618],[0.0458447,0.0254572,0.0211281,0.0149788],[-0.0168787,0.0141084,0.00839182,0.00595677],[-0.0330186,-0.00774131,0.00154894,0.00347356]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.12
S298 (cal/mol*K) = 9.03
G298 (kcal/mol) = 3.43

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(537); H(25), C7H11(537); C7H10(1)+H(25)(+M)=>C7H11(537)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.021e+00 -1.940e+00 -6.089e-01 -1.687e-02 / CHEB/ 6.405e+00 1.638e+00 3.556e-01 -8.106e-02 / CHEB/ 4.010e-01 1.148e-01 1.249e-01 2.966e-02 / CHEB/ 4.584e-02 2.546e-02 2.113e-02 1.498e-02 / CHEB/ -1.688e-02 1.411e-02 8.392e-03 5.957e-03 / CHEB/ -3.302e-02 -7.741e-03 1.549e-03 3.474e-03 /

5322.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.0	-11.4	-4.8	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-32.1	-11.5	-4.8	-1.7

Chebyshev(coeffs=[[-24.4577,-0.239498,-0.148145,-0.066682],[29.0311,0.10901,0.0640088,0.0257603],[-0.0792219,0.0519386,0.0314634,0.0135389],[-0.0731757,0.0454471,0.0275628,0.0118698],[-0.051058,0.00450472,0.00397343,0.00277445],[-0.0324372,-0.0102985,-0.00547495,-0.00167717]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.15
S298 (cal/mol*K) = 50.84
G298 (kcal/mol) = 68.00

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(538); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>C6H9(538)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.446e+01 -2.395e-01 -1.481e-01 -6.668e-02 / CHEB/ 2.903e+01 1.090e-01 6.401e-02 2.576e-02 / CHEB/ -7.922e-02 5.194e-02 3.146e-02 1.354e-02 / CHEB/ -7.318e-02 4.545e-02 2.756e-02 1.187e-02 / CHEB/ -5.106e-02 4.505e-03 3.973e-03 2.774e-03 / CHEB/ -3.244e-02 -1.030e-02 -5.475e-03 -1.677e-03 /

5323.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-1.6	+0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-2.4	+0.1	+1.4

Chebyshev(coeffs=[[-1.00973,-2.19583,-0.458086,0.00660437],[7.85187,1.64875,0.159321,-0.0696339],[0.487415,0.272761,0.0968863,-0.00396024],[0.0779884,0.0317044,0.044607,0.00394341],[0.01175,0.0258357,0.0217824,0.0071121],[-0.0202126,0.0173976,0.0124835,0.00426786]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.21
S298 (cal/mol*K) = 20.28
G298 (kcal/mol) = 7.17

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(744); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(744)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.010e+00 -2.196e+00 -4.581e-01 6.604e-03 / CHEB/ 7.852e+00 1.649e+00 1.593e-01 -6.963e-02 / CHEB/ 4.874e-01 2.728e-01 9.689e-02 -3.960e-03 / CHEB/ 7.799e-02 3.170e-02 4.461e-02 3.943e-03 / CHEB/ 1.175e-02 2.584e-02 2.178e-02 7.112e-03 / CHEB/ -2.021e-02 1.740e-02 1.248e-02 4.268e-03 /

5324.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-3.9	-1.3	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-4.5	-1.6	-0.2

Chebyshev(coeffs=[[-4.90511,-1.64571,-0.491458,-0.0291489],[10.3755,1.13434,0.220103,-0.0333638],[0.305879,0.227766,0.0954671,-0.00384301],[0.0590577,0.0629402,0.0354707,0.00639],[-0.00269865,0.0381535,0.0195248,0.00671915],[-0.0223653,0.0142273,0.0122543,0.00439961]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.03
S298 (cal/mol*K) = -0.03
G298 (kcal/mol) = -24.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(745); H(25), C7H11(745); C7H10(1)+H(25)(+M)=>C7H11(745)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.905e+00 -1.646e+00 -4.915e-01 -2.915e-02 / CHEB/ 1.038e+01 1.134e+00 2.201e-01 -3.336e-02 / CHEB/ 3.059e-01 2.278e-01 9.547e-02 -3.843e-03 / CHEB/ 5.906e-02 6.294e-02 3.547e-02 6.390e-03 / CHEB/ -2.699e-03 3.815e-02 1.952e-02 6.719e-03 / CHEB/ -2.237e-02 1.423e-02 1.225e-02 4.400e-03 /

5325.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-3.9	-1.2	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.5	-1.5	+0.0

Chebyshev(coeffs=[[-5.36754,-1.5205,-0.489407,-0.0378163],[11.0779,1.02159,0.225571,-0.0259088],[0.273143,0.21624,0.0937924,-0.000943345],[0.0474775,0.070201,0.034687,0.00598263],[-0.0129863,0.0402052,0.0194823,0.00632971],[-0.0243708,0.0131236,0.0118774,0.00460492]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.93
S298 (cal/mol*K) = 1.34
G298 (kcal/mol) = -12.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(746); H(25), C7H11(746); C7H10(1)+H(25)(+M)=>C7H11(746)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.368e+00 -1.520e+00 -4.894e-01 -3.782e-02 / CHEB/ 1.108e+01 1.022e+00 2.256e-01 -2.591e-02 / CHEB/ 2.731e-01 2.162e-01 9.379e-02 -9.433e-04 / CHEB/ 4.748e-02 7.020e-02 3.469e-02 5.983e-03 / CHEB/ -1.299e-02 4.021e-02 1.948e-02 6.330e-03 / CHEB/ -2.437e-02 1.312e-02 1.188e-02 4.605e-03 /

5326.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+0.7	+1.9	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-5.1	-0.2	+1.4	+2.3

Chebyshev(coeffs=[[2.71014,-2.84702,-0.492024,-0.0123958],[5.30596,2.21695,0.0177784,-0.121695],[0.312882,0.225536,0.187895,0.0337785],[-0.0236158,0.00675474,0.0678407,0.0252668],[0.00527935,0.0425041,0.0218999,0.00209071],[-0.00495678,0.0389076,0.0103574,-0.00121771]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.93
S298 (cal/mol*K) = 0.61
G298 (kcal/mol) = -27.12

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(747); H(25), C7H11(747); C7H10(1)+H(25)(+M)=>C7H11(747)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.710e+00 -2.847e+00 -4.920e-01 -1.240e-02 / CHEB/ 5.306e+00 2.217e+00 1.778e-02 -1.217e-01 / CHEB/ 3.129e-01 2.255e-01 1.879e-01 3.378e-02 / CHEB/ -2.362e-02 6.755e-03 6.784e-02 2.527e-02 / CHEB/ 5.279e-03 4.250e-02 2.190e-02 2.091e-03 / CHEB/ -4.957e-03 3.891e-02 1.036e-02 -1.218e-03 /

5327.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+0.3	+1.3	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-5.1	-0.8	+0.8	+1.6

Chebyshev(coeffs=[[2.97317,-2.96017,-0.368719,0.0569126],[4.44514,2.09404,0.00675252,-0.115859],[0.202448,0.405211,0.0844249,-0.010644],[-0.0175722,0.0674397,0.0421631,0.0105047],[0.00889189,0.0142865,0.0226434,0.000988205],[-0.0149083,0.011295,0.0149177,-0.0019189]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.43
S298 (cal/mol*K) = 0.61
G298 (kcal/mol) = -26.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(748); H(25), C7H11(748); C7H10(1)+H(25)(+M)=>C7H11(748)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.973e+00 -2.960e+00 -3.687e-01 5.691e-02 / CHEB/ 4.445e+00 2.094e+00 6.753e-03 -1.159e-01 / CHEB/ 2.024e-01 4.052e-01 8.442e-02 -1.064e-02 / CHEB/ -1.757e-02 6.744e-02 4.216e-02 1.050e-02 / CHEB/ 8.892e-03 1.429e-02 2.264e-02 9.882e-04 / CHEB/ -1.491e-02 1.130e-02 1.492e-02 -1.919e-03 /

5328.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-14.3	-7.9	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-34.2	-14.5	-8.0	-4.7

Chebyshev(coeffs=[[-26.6605,-0.255975,-0.158606,-0.0709838],[28.0331,0.112644,0.0692609,0.0303763],[-0.0903795,0.0462037,0.0272242,0.0109508],[-0.0240017,0.0460076,0.026288,0.00970597],[-0.0098959,0.0195154,0.0125158,0.00593513],[-0.00561752,0.000955527,0.00173143,0.00179923]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.17
S298 (cal/mol*K) = 32.48
G298 (kcal/mol) = 79.49

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(749); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(749)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.666e+01 -2.560e-01 -1.586e-01 -7.098e-02 / CHEB/ 2.803e+01 1.126e-01 6.926e-02 3.038e-02 / CHEB/ -9.038e-02 4.620e-02 2.722e-02 1.095e-02 / CHEB/ -2.400e-02 4.601e-02 2.629e-02 9.706e-03 / CHEB/ -9.896e-03 1.952e-02 1.252e-02 5.935e-03 / CHEB/ -5.618e-03 9.555e-04 1.731e-03 1.799e-03 /

5329.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.5	-11.3	-5.7	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-28.7	-11.5	-5.8	-2.9

Chebyshev(coeffs=[[-21.3486,-0.365638,-0.214845,-0.0856307],[24.4706,0.171755,0.0977978,0.0357934],[-0.0465852,0.0643762,0.0370459,0.0140853],[-0.0105803,0.0597392,0.031663,0.00947278],[-0.00644672,0.026568,0.0158669,0.00646597],[-0.00644529,0.00153513,0.00271216,0.00270561]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.07
S298 (cal/mol*K) = 31.10
G298 (kcal/mol) = 67.80

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(750); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(750)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.135e+01 -3.656e-01 -2.148e-01 -8.563e-02 / CHEB/ 2.447e+01 1.718e-01 9.780e-02 3.579e-02 / CHEB/ -4.659e-02 6.438e-02 3.705e-02 1.409e-02 / CHEB/ -1.058e-02 5.974e-02 3.166e-02 9.473e-03 / CHEB/ -6.447e-03 2.657e-02 1.587e-02 6.466e-03 / CHEB/ -6.445e-03 1.535e-03 2.712e-03 2.706e-03 /

5330.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.2	-10.7	-5.3	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-10.9	-5.4	-2.6

Chebyshev(coeffs=[[-20.1183,-0.401655,-0.231844,-0.0886635],[23.5225,0.192253,0.106574,0.036354],[-0.0374823,0.0701538,0.0401115,0.0149647],[-0.00808876,0.0635392,0.0329372,0.00920347],[-0.00605918,0.0285956,0.0166922,0.00645833],[-0.00694556,0.0017647,0.00304471,0.00298058]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.17
S298 (cal/mol*K) = 31.75
G298 (kcal/mol) = 64.71

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(751); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(751)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.012e+01 -4.017e-01 -2.318e-01 -8.866e-02 / CHEB/ 2.352e+01 1.923e-01 1.066e-01 3.635e-02 / CHEB/ -3.748e-02 7.015e-02 4.011e-02 1.496e-02 / CHEB/ -8.089e-03 6.354e-02 3.294e-02 9.203e-03 / CHEB/ -6.059e-03 2.860e-02 1.669e-02 6.458e-03 / CHEB/ -6.946e-03 1.765e-03 3.045e-03 2.981e-03 /

5331.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.4	-10.8	-5.3	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-11.0	-5.4	-2.7

Chebyshev(coeffs=[[-20.3228,-0.395742,-0.229101,-0.0882197],[23.6733,0.188862,0.105159,0.0363002],[-0.0386204,0.0692041,0.0396108,0.0148265],[-0.00842285,0.062937,0.0327415,0.009251],[-0.00608949,0.0282727,0.0165651,0.00646404],[-0.00684946,0.00172557,0.00298985,0.00293646]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.67
S298 (cal/mol*K) = 31.75
G298 (kcal/mol) = 65.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(752); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(752)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.032e+01 -3.957e-01 -2.291e-01 -8.822e-02 / CHEB/ 2.367e+01 1.889e-01 1.052e-01 3.630e-02 / CHEB/ -3.862e-02 6.920e-02 3.961e-02 1.483e-02 / CHEB/ -8.423e-03 6.294e-02 3.274e-02 9.251e-03 / CHEB/ -6.089e-03 2.827e-02 1.657e-02 6.464e-03 / CHEB/ -6.849e-03 1.726e-03 2.990e-03 2.936e-03 /

5332.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.3	-13.9	-7.0	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-35.4	-14.0	-7.0	-3.6

Chebyshev(coeffs=[[-27.7619,-0.201029,-0.127799,-0.0602465],[30.3411,0.0850623,0.0541166,0.0254885],[-0.146676,0.0367782,0.0220538,0.00920779],[-0.0417243,0.0377722,0.0224858,0.00918088],[-0.0153451,0.0154747,0.0102726,0.00521097],[-0.00638969,0.000724306,0.00127271,0.00133249]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.49
S298 (cal/mol*K) = 39.13
G298 (kcal/mol) = 76.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(753); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(753)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.776e+01 -2.010e-01 -1.278e-01 -6.025e-02 / CHEB/ 3.034e+01 8.506e-02 5.412e-02 2.549e-02 / CHEB/ -1.467e-01 3.678e-02 2.205e-02 9.208e-03 / CHEB/ -4.172e-02 3.777e-02 2.249e-02 9.181e-03 / CHEB/ -1.535e-02 1.547e-02 1.027e-02 5.211e-03 / CHEB/ -6.390e-03 7.243e-04 1.273e-03 1.332e-03 /

5333.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.0	-15.8	-9.1	-5.7
log₁₀(k(10 bar)/[mole,m,s])	-36.2	-15.9	-9.1	-5.7

Chebyshev(coeffs=[[-28.5069,-0.245374,-0.152743,-0.0690161],[28.75,0.110713,0.0683582,0.0302558],[0.0123748,0.0442233,0.0262054,0.0106784],[0.0116944,0.0437193,0.0252138,0.00953482],[0.00728056,0.0180323,0.0117291,0.00571295],[5.07743e-05,0.000524162,0.00142367,0.0016322]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 90.77
S298 (cal/mol*K) = 25.71
G298 (kcal/mol) = 83.11

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(754); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(754)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.851e+01 -2.454e-01 -1.527e-01 -6.902e-02 / CHEB/ 2.875e+01 1.107e-01 6.836e-02 3.026e-02 / CHEB/ 1.237e-02 4.422e-02 2.621e-02 1.068e-02 / CHEB/ 1.169e-02 4.372e-02 2.521e-02 9.535e-03 / CHEB/ 7.281e-03 1.803e-02 1.173e-02 5.713e-03 / CHEB/ 5.077e-05 5.242e-04 1.424e-03 1.632e-03 /

5336.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+5.3	+6.4	+6.7
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+4.4	+6.0	+6.5

Chebyshev(coeffs=[[8.23706,-2.32775,-0.158796,0.00566347],[4.04038,1.51138,-0.0548012,-0.0281953],[0.557558,0.419607,-0.0511654,-0.058243],[-0.169134,0.0852942,0.0425413,0.00318141],[-0.11552,0.0183748,0.0312795,0.0158341],[-0.026078,-0.0291017,0.00273789,0.00463592]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.59
S298 (cal/mol*K) = 19.19
G298 (kcal/mol) = -23.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H7(765); H(25), CH3(423); C7H9(5)+H(25)(+M)=>CH3(423)+C6H7(765)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.237e+00 -2.328e+00 -1.588e-01 5.663e-03 / CHEB/ 4.040e+00 1.511e+00 -5.480e-02 -2.820e-02 / CHEB/ 5.576e-01 4.196e-01 -5.117e-02 -5.824e-02 / CHEB/ -1.691e-01 8.529e-02 4.254e-02 3.181e-03 / CHEB/ -1.155e-01 1.837e-02 3.128e-02 1.583e-02 / CHEB/ -2.608e-02 -2.910e-02 2.738e-03 4.636e-03 /

5337.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+2.3	+3.9	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+1.5	+3.5	+4.3

Chebyshev(coeffs=[[4.58196,-2.29068,-0.15879,0.00571106],[5.24277,1.51741,-0.0687665,-0.0375927],[0.75502,0.399375,-0.040444,-0.0517014],[-0.129706,0.0796873,0.0482739,0.00694426],[-0.100319,0.0134918,0.0306473,0.0138169],[-0.0195717,-0.0329808,0.00513271,0.00381435]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.83
S298 (cal/mol*K) = 9.17
G298 (kcal/mol) = -11.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(766); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(766)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.582e+00 -2.291e+00 -1.588e-01 5.711e-03 / CHEB/ 5.243e+00 1.517e+00 -6.877e-02 -3.759e-02 / CHEB/ 7.550e-01 3.994e-01 -4.044e-02 -5.170e-02 / CHEB/ -1.297e-01 7.969e-02 4.827e-02 6.944e-03 / CHEB/ -1.003e-01 1.349e-02 3.065e-02 1.382e-02 / CHEB/ -1.957e-02 -3.298e-02 5.133e-03 3.814e-03 /

5338.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+1.7	+3.3	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-4.8	+0.9	+2.9	+3.8

Chebyshev(coeffs=[[3.79767,-2.24464,-0.143913,0.0111614],[5.45514,1.51135,-0.0813976,-0.0444453],[0.791271,0.394992,-0.0349394,-0.049969],[-0.115384,0.0762517,0.0495511,0.00773494],[-0.0926809,0.00602524,0.0288019,0.0123524],[-0.0163511,-0.0389616,0.00527347,0.00332099]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.30
S298 (cal/mol*K) = 8.35
G298 (kcal/mol) = -9.79

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(767); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(767)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.798e+00 -2.245e+00 -1.439e-01 1.116e-02 / CHEB/ 5.455e+00 1.511e+00 -8.140e-02 -4.445e-02 / CHEB/ 7.913e-01 3.950e-01 -3.494e-02 -4.997e-02 / CHEB/ -1.154e-01 7.625e-02 4.955e-02 7.735e-03 / CHEB/ -9.268e-02 6.025e-03 2.880e-02 1.235e-02 / CHEB/ -1.635e-02 -3.896e-02 5.273e-03 3.321e-03 /

5339.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-1.5	+1.1	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-2.1	+0.9	+2.2

Chebyshev(coeffs=[[-1.61688,-1.7986,-0.119158,0.00690747],[9.11493,1.2573,-0.135403,-0.0702597],[0.773661,0.372928,0.0389619,-0.0117603],[-0.0241282,0.0257009,0.0467041,0.00196205],[-0.0579794,-0.0482444,0.0308817,0.00751107],[-0.0139046,-0.0506133,0.00638665,0.00730565]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.33
S298 (cal/mol*K) = 10.58
G298 (kcal/mol) = 15.18

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(263); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(263)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.617e+00 -1.799e+00 -1.192e-01 6.907e-03 / CHEB/ 9.115e+00 1.257e+00 -1.354e-01 -7.026e-02 / CHEB/ 7.737e-01 3.729e-01 3.896e-02 -1.176e-02 / CHEB/ -2.413e-02 2.570e-02 4.670e-02 1.962e-03 / CHEB/ -5.798e-02 -4.824e-02 3.088e-02 7.511e-03 / CHEB/ -1.390e-02 -5.061e-02 6.387e-03 7.306e-03 /

5340.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-4.4	-1.5	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-4.9	-1.8	-0.4

Chebyshev(coeffs=[[-5.4362,-1.65,-0.133044,-0.0109842],[10.5321,1.14828,-0.12023,-0.0480761],[0.621116,0.364126,0.0481514,-0.0161316],[-0.0172443,0.00542088,0.0500649,0.000732169],[-0.0494048,-0.0592004,0.028872,0.0107932],[-0.0192696,-0.0441817,0.00222992,0.00845017]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.23
S298 (cal/mol*K) = 8.68
G298 (kcal/mol) = 23.64

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(768); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(768)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.436e+00 -1.650e+00 -1.330e-01 -1.098e-02 / CHEB/ 1.053e+01 1.148e+00 -1.202e-01 -4.808e-02 / CHEB/ 6.211e-01 3.641e-01 4.815e-02 -1.613e-02 / CHEB/ -1.724e-02 5.421e-03 5.006e-02 7.322e-04 / CHEB/ -4.940e-02 -5.920e-02 2.887e-02 1.079e-02 / CHEB/ -1.927e-02 -4.418e-02 2.230e-03 8.450e-03 /

5341.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-4.4	-1.5	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-4.9	-1.8	-0.4

H298 (kcal/mol) = 26.23
S298 (cal/mol*K) = 8.68
G298 (kcal/mol) = 23.64

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(769); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(769)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.436e+00 -1.650e+00 -1.330e-01 -1.098e-02 / CHEB/ 1.053e+01 1.148e+00 -1.202e-01 -4.808e-02 / CHEB/ 6.211e-01 3.641e-01 4.815e-02 -1.613e-02 / CHEB/ -1.724e-02 5.421e-03 5.006e-02 7.322e-04 / CHEB/ -4.940e-02 -5.920e-02 2.887e-02 1.079e-02 / CHEB/ -1.927e-02 -4.418e-02 2.230e-03 8.450e-03 /

5342.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.8	+0.7	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-2.5	+0.4	+1.7

Chebyshev(coeffs=[[-1.85317,-1.83106,-0.117921,0.010133],[8.87658,1.26688,-0.1381,-0.0731703],[0.748579,0.377663,0.0356412,-0.0124435],[-0.0444353,0.0335254,0.0452379,0.00223868],[-0.0615015,-0.0432404,0.0309319,0.00693139],[-0.0122867,-0.0511441,0.00749564,0.00677891]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.03
S298 (cal/mol*K) = 7.58
G298 (kcal/mol) = 14.77

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(770); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(770)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.853e+00 -1.831e+00 -1.179e-01 1.013e-02 / CHEB/ 8.877e+00 1.267e+00 -1.381e-01 -7.317e-02 / CHEB/ 7.486e-01 3.777e-01 3.564e-02 -1.244e-02 / CHEB/ -4.444e-02 3.353e-02 4.524e-02 2.239e-03 / CHEB/ -6.150e-02 -4.324e-02 3.093e-02 6.931e-03 / CHEB/ -1.229e-02 -5.114e-02 7.496e-03 6.779e-03 /

5343.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.8	+0.7	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-2.5	+0.4	+1.7

H298 (kcal/mol) = 17.03
S298 (cal/mol*K) = 7.58
G298 (kcal/mol) = 14.77

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(771); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(771)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.853e+00 -1.831e+00 -1.179e-01 1.013e-02 / CHEB/ 8.877e+00 1.267e+00 -1.381e-01 -7.317e-02 / CHEB/ 7.486e-01 3.777e-01 3.564e-02 -1.244e-02 / CHEB/ -4.444e-02 3.353e-02 4.524e-02 2.239e-03 / CHEB/ -6.150e-02 -4.324e-02 3.093e-02 6.931e-03 / CHEB/ -1.229e-02 -5.114e-02 7.496e-03 6.779e-03 /

5344.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+0.4	+1.6	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-4.9	-0.5	+1.1	+1.7

Chebyshev(coeffs=[[3.46467,-2.39935,-0.170537,0.0014401],[3.96036,1.49164,-0.0342138,-0.0149627],[0.568566,0.441177,-0.0605699,-0.0625645],[-0.146707,0.0963129,0.0328348,-0.00264631],[-0.111063,0.029752,0.0325032,0.0183171],[-0.027417,-0.0183423,0.00136482,0.00657077]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.76
S298 (cal/mol*K) = -17.19
G298 (kcal/mol) = -26.63

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(772); H(25), C7H10(772); C7H9(5)+H(25)(+M)=>C7H10(772)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.465e+00 -2.399e+00 -1.705e-01 1.440e-03 / CHEB/ 3.960e+00 1.492e+00 -3.421e-02 -1.496e-02 / CHEB/ 5.686e-01 4.412e-01 -6.057e-02 -6.256e-02 / CHEB/ -1.467e-01 9.631e-02 3.283e-02 -2.646e-03 / CHEB/ -1.111e-01 2.975e-02 3.250e-02 1.832e-02 / CHEB/ -2.742e-02 -1.834e-02 1.365e-03 6.571e-03 /

5345.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+0.1	+1.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-5.4	-0.8	+0.9	+1.5

Chebyshev(coeffs=[[3.03365,-2.41889,-0.183628,-0.00323985],[4.16365,1.50321,-0.0293485,-0.0140014],[0.588113,0.433615,-0.0595728,-0.0605713],[-0.150821,0.0955089,0.0346221,-0.0013895],[-0.113197,0.0325545,0.0337532,0.0185562],[-0.0281898,-0.0160134,0.00236421,0.00660176]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.81
S298 (cal/mol*K) = -16.61
G298 (kcal/mol) = -24.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(617); H(25), C7H10(617); C7H9(5)+H(25)(+M)=>C7H10(617)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.034e+00 -2.419e+00 -1.836e-01 -3.240e-03 / CHEB/ 4.164e+00 1.503e+00 -2.935e-02 -1.400e-02 / CHEB/ 5.881e-01 4.336e-01 -5.957e-02 -6.057e-02 / CHEB/ -1.508e-01 9.551e-02 3.462e-02 -1.390e-03 / CHEB/ -1.132e-01 3.255e-02 3.375e-02 1.856e-02 / CHEB/ -2.819e-02 -1.601e-02 2.364e-03 6.602e-03 /

5346.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+0.1	+2.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-0.6	+1.7	+2.6

Chebyshev(coeffs=[[1.87628,-2.17108,-0.130977,0.0158647],[6.12659,1.49124,-0.105083,-0.0582858],[0.834815,0.379113,-0.0170437,-0.0406996],[-0.104261,0.0705421,0.050875,0.00917315],[-0.0851593,-0.00430713,0.0272871,0.00971969],[-0.0134234,-0.045113,0.00766286,0.00299911]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.81
S298 (cal/mol*K) = -10.99
G298 (kcal/mol) = -2.53

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(773); H(25), C7H10(773); C7H9(5)+H(25)(+M)=>C7H10(773)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.876e+00 -2.171e+00 -1.310e-01 1.586e-02 / CHEB/ 6.127e+00 1.491e+00 -1.051e-01 -5.829e-02 / CHEB/ 8.348e-01 3.791e-01 -1.704e-02 -4.070e-02 / CHEB/ -1.043e-01 7.054e-02 5.087e-02 9.173e-03 / CHEB/ -8.516e-02 -4.307e-03 2.729e-02 9.720e-03 / CHEB/ -1.342e-02 -4.511e-02 7.663e-03 2.999e-03 /

5347.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+0.2	+2.0	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-0.6	+1.6	+2.6

Chebyshev(coeffs=[[1.91871,-2.16477,-0.129945,0.0162278],[6.05122,1.48871,-0.107012,-0.0593923],[0.807966,0.378128,-0.0154384,-0.0398684],[-0.11175,0.0700735,0.0507919,0.00919071],[-0.0874057,-0.00515988,0.0272331,0.00953332],[-0.0142188,-0.045532,0.00784022,0.00300058]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.56
S298 (cal/mol*K) = -10.53
G298 (kcal/mol) = -2.42

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(715); H(25), C7H10(715); C7H9(5)+H(25)(+M)=>C7H10(715)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.919e+00 -2.165e+00 -1.299e-01 1.623e-02 / CHEB/ 6.051e+00 1.489e+00 -1.070e-01 -5.939e-02 / CHEB/ 8.080e-01 3.781e-01 -1.544e-02 -3.987e-02 / CHEB/ -1.117e-01 7.007e-02 5.079e-02 9.191e-03 / CHEB/ -8.741e-02 -5.160e-03 2.723e-02 9.533e-03 / CHEB/ -1.422e-02 -4.553e-02 7.840e-03 3.001e-03 /

5348.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-2.0	-0.4	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-2.8	-0.8	+0.1

Chebyshev(coeffs=[[0.229614,-2.25511,-0.146736,0.00969201],[5.28524,1.52112,-0.0752996,-0.0415065],[0.792335,0.39982,-0.0379255,-0.0517192],[-0.107855,0.0755965,0.0495246,0.00741388],[-0.0923546,0.00612065,0.0297732,0.013102],[-0.00555257,-0.039373,0.00486881,0.00346844]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.16
S298 (cal/mol*K) = -17.34
G298 (kcal/mol) = -21.99

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(774); H(25), C7H10(774); C7H9(5)+H(25)(+M)=>C7H10(774)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.296e-01 -2.255e+00 -1.467e-01 9.692e-03 / CHEB/ 5.285e+00 1.521e+00 -7.530e-02 -4.151e-02 / CHEB/ 7.923e-01 3.998e-01 -3.793e-02 -5.172e-02 / CHEB/ -1.079e-01 7.560e-02 4.952e-02 7.414e-03 / CHEB/ -9.235e-02 6.121e-03 2.977e-02 1.310e-02 / CHEB/ -5.553e-03 -3.937e-02 4.869e-03 3.468e-03 /

5349.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+0.5	+1.7	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-4.8	-0.4	+1.3	+1.9

Chebyshev(coeffs=[[3.58896,-2.40407,-0.171644,0.000655566],[4.00575,1.49556,-0.0306255,-0.0134357],[0.595841,0.446598,-0.0610944,-0.063041],[-0.132452,0.0972574,0.031881,-0.00341366],[-0.106028,0.0295665,0.0330211,0.0186689],[-0.026424,-0.0184805,0.00145538,0.00687546]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.61
S298 (cal/mol*K) = -24.74
G298 (kcal/mol) = -37.23

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(616); H(25), C7H10(616); C7H9(5)+H(25)(+M)=>C7H10(616)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.589e+00 -2.404e+00 -1.716e-01 6.556e-04 / CHEB/ 4.006e+00 1.496e+00 -3.063e-02 -1.344e-02 / CHEB/ 5.958e-01 4.466e-01 -6.109e-02 -6.304e-02 / CHEB/ -1.325e-01 9.726e-02 3.188e-02 -3.414e-03 / CHEB/ -1.060e-01 2.957e-02 3.302e-02 1.867e-02 / CHEB/ -2.642e-02 -1.848e-02 1.455e-03 6.875e-03 /

5350.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-2.0	+0.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-2.6	-0.0	+1.2

Chebyshev(coeffs=[[-1.16742,-1.98225,-0.113126,0.0198519],[7.62281,1.39025,-0.139905,-0.0793741],[0.83456,0.369407,0.0222979,-0.0193318],[-0.0595275,0.050547,0.0459852,0.00648918],[-0.0557684,-0.0295943,0.0293593,0.00662953],[-0.0147201,-0.0523803,0.00952453,0.00449011]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.81
S298 (cal/mol*K) = -10.99
G298 (kcal/mol) = -2.53

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(775); H(25), C7H10(775); C7H9(5)+H(25)(+M)=>C7H10(775)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.167e+00 -1.982e+00 -1.131e-01 1.985e-02 / CHEB/ 7.623e+00 1.390e+00 -1.399e-01 -7.937e-02 / CHEB/ 8.346e-01 3.694e-01 2.230e-02 -1.933e-02 / CHEB/ -5.953e-02 5.055e-02 4.599e-02 6.489e-03 / CHEB/ -5.577e-02 -2.959e-02 2.936e-02 6.630e-03 / CHEB/ -1.472e-02 -5.238e-02 9.525e-03 4.490e-03 /

5351.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-2.2	+0.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-2.8	-0.2	+1.0

Chebyshev(coeffs=[[-1.29392,-1.9812,-0.113342,0.0198729],[7.5218,1.38743,-0.140312,-0.0795059],[0.870109,0.368644,0.0224061,-0.0191031],[-0.0417435,0.0503566,0.0457445,0.00636445],[-0.0822797,-0.0283457,0.0293203,0.00647997],[-0.00563333,-0.0525468,0.00957058,0.00453328]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.56
S298 (cal/mol*K) = -10.53
G298 (kcal/mol) = -2.42

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(776); H(25), C7H10(776); C7H9(5)+H(25)(+M)=>C7H10(776)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.294e+00 -1.981e+00 -1.133e-01 1.987e-02 / CHEB/ 7.522e+00 1.387e+00 -1.403e-01 -7.951e-02 / CHEB/ 8.701e-01 3.686e-01 2.241e-02 -1.910e-02 / CHEB/ -4.174e-02 5.036e-02 4.574e-02 6.364e-03 / CHEB/ -8.228e-02 -2.835e-02 2.932e-02 6.480e-03 / CHEB/ -5.633e-03 -5.255e-02 9.571e-03 4.533e-03 /

5352.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+0.3	+1.3	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-5.0	-0.7	+0.8	+1.2

Chebyshev(coeffs=[[3.35505,-2.47403,-0.205388,-0.0117497],[3.77019,1.48771,-0.0232505,-0.0090012],[0.475747,0.426348,-0.0639979,-0.0602171],[-0.194001,0.0946318,0.0314819,-0.00219781],[-0.133539,0.039271,0.0361805,0.0205781],[-0.0385219,-0.00777981,0.00411924,0.00822858]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.16
S298 (cal/mol*K) = -16.03
G298 (kcal/mol) = -26.38

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(777); H(25), C7H10(777); C7H9(5)+H(25)(+M)=>C7H10(777)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.355e+00 -2.474e+00 -2.054e-01 -1.175e-02 / CHEB/ 3.770e+00 1.488e+00 -2.325e-02 -9.001e-03 / CHEB/ 4.757e-01 4.263e-01 -6.400e-02 -6.022e-02 / CHEB/ -1.940e-01 9.463e-02 3.148e-02 -2.198e-03 / CHEB/ -1.335e-01 3.927e-02 3.618e-02 2.058e-02 / CHEB/ -3.852e-02 -7.780e-03 4.119e-03 8.229e-03 /

5353.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-2.1	-0.7	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-3.0	-1.1	-0.3

Chebyshev(coeffs=[[0.538747,-2.3345,-0.160335,0.00489239],[4.64252,1.51382,-0.051584,-0.0265433],[0.69921,0.423346,-0.0523853,-0.0589501],[-0.109949,0.0853394,0.0418295,0.00264349],[-0.0826618,0.0182601,0.0317941,0.0162812],[-0.0257146,-0.0284955,0.00262152,0.00486124]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.26
S298 (cal/mol*K) = -19.24
G298 (kcal/mol) = -13.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(778); H(25), C7H10(778); C7H9(5)+H(25)(+M)=>C7H10(778)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.387e-01 -2.334e+00 -1.603e-01 4.892e-03 / CHEB/ 4.643e+00 1.514e+00 -5.158e-02 -2.654e-02 / CHEB/ 6.992e-01 4.233e-01 -5.239e-02 -5.895e-02 / CHEB/ -1.099e-01 8.534e-02 4.183e-02 2.643e-03 / CHEB/ -8.266e-02 1.826e-02 3.179e-02 1.628e-02 / CHEB/ -2.571e-02 -2.850e-02 2.622e-03 4.861e-03 /

5354.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-2.2	-0.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-3.1	-1.2	-0.5

Chebyshev(coeffs=[[0.469144,-2.33138,-0.159941,0.00497198],[4.61334,1.51604,-0.0520981,-0.0270104],[0.668472,0.423812,-0.0519527,-0.0588398],[-0.125755,0.0852782,0.0422198,0.00279349],[-0.0813534,0.0173697,0.0318915,0.0162296],[-0.0118073,-0.0298502,0.00280689,0.00486179]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.01
S298 (cal/mol*K) = -19.24
G298 (kcal/mol) = -13.27

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(622); H(25), C7H10(622); C7H9(5)+H(25)(+M)=>C7H10(622)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.691e-01 -2.331e+00 -1.599e-01 4.972e-03 / CHEB/ 4.613e+00 1.516e+00 -5.210e-02 -2.701e-02 / CHEB/ 6.685e-01 4.238e-01 -5.195e-02 -5.884e-02 / CHEB/ -1.258e-01 8.528e-02 4.222e-02 2.793e-03 / CHEB/ -8.135e-02 1.737e-02 3.189e-02 1.623e-02 / CHEB/ -1.181e-02 -2.985e-02 2.807e-03 4.862e-03 /

5355.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-1.4	+0.2	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-2.2	-0.2	+0.6

Chebyshev(coeffs=[[0.930878,-2.25517,-0.145831,0.0104514],[5.16113,1.51272,-0.0779469,-0.0423813],[0.738858,0.397833,-0.0372803,-0.0511799],[-0.129601,0.0771907,0.0489818,0.00732722],[-0.0980483,0.00755169,0.0291145,0.0127849],[-0.0183564,-0.0378818,0.00491776,0.003427]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.46
S298 (cal/mol*K) = -8.63
G298 (kcal/mol) = -10.88

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(463); H(25), C7H10(463); C7H9(5)+H(25)(+M)=>C7H10(463)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.309e-01 -2.255e+00 -1.458e-01 1.045e-02 / CHEB/ 5.161e+00 1.513e+00 -7.795e-02 -4.238e-02 / CHEB/ 7.389e-01 3.978e-01 -3.728e-02 -5.118e-02 / CHEB/ -1.296e-01 7.719e-02 4.898e-02 7.327e-03 / CHEB/ -9.805e-02 7.552e-03 2.911e-02 1.278e-02 / CHEB/ -1.836e-02 -3.788e-02 4.918e-03 3.427e-03 /

5356.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-2.4	-1.2	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-3.3	-1.6	-1.0

Chebyshev(coeffs=[[-0.00470628,-2.36886,-0.188048,-0.00650665],[4.79986,1.54503,-0.0401682,-0.0245163],[0.552481,0.425141,-0.0411156,-0.0511021],[-0.239156,0.0948492,0.0488866,0.00625723],[-0.114043,0.0201494,0.0319447,0.0153066],[0.0218971,-0.0314897,0.00367892,0.00450507]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.26
S298 (cal/mol*K) = -19.24
G298 (kcal/mol) = -13.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(619); H(25), C7H10(619); C7H9(5)+H(25)(+M)=>C7H10(619)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.706e-03 -2.369e+00 -1.880e-01 -6.507e-03 / CHEB/ 4.800e+00 1.545e+00 -4.017e-02 -2.452e-02 / CHEB/ 5.525e-01 4.251e-01 -4.112e-02 -5.110e-02 / CHEB/ -2.392e-01 9.485e-02 4.889e-02 6.257e-03 / CHEB/ -1.140e-01 2.015e-02 3.194e-02 1.531e-02 / CHEB/ 2.190e-02 -3.149e-02 3.679e-03 4.505e-03 /

5357.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-2.9	-1.4	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-3.7	-1.8	-1.0

Chebyshev(coeffs=[[-0.343659,-2.30501,-0.155468,0.00665166],[4.82217,1.51808,-0.0604262,-0.0320691],[0.777285,0.413096,-0.0476243,-0.0565506],[-0.0904036,0.080998,0.0451693,0.00472701],[-0.105299,0.0142345,0.0310943,0.0151146],[-0.0155223,-0.0325265,0.00329322,0.0041504]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.26
S298 (cal/mol*K) = -20.62
G298 (kcal/mol) = -13.11

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(779); H(25), C7H10(779); C7H9(5)+H(25)(+M)=>C7H10(779)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.437e-01 -2.305e+00 -1.555e-01 6.652e-03 / CHEB/ 4.822e+00 1.518e+00 -6.043e-02 -3.207e-02 / CHEB/ 7.773e-01 4.131e-01 -4.762e-02 -5.655e-02 / CHEB/ -9.040e-02 8.100e-02 4.517e-02 4.727e-03 / CHEB/ -1.053e-01 1.423e-02 3.109e-02 1.511e-02 / CHEB/ -1.552e-02 -3.253e-02 3.293e-03 4.150e-03 /

5358.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	-0.9	+0.5	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-1.8	+0.1	+0.8

Chebyshev(coeffs=[[1.59013,-2.27929,-0.150218,0.00882681],[4.78131,1.51438,-0.0700926,-0.0376385],[0.680972,0.404719,-0.0423549,-0.0537918],[-0.143044,0.0795445,0.0473192,0.00620165],[-0.104022,0.0110843,0.0298593,0.0138006],[-0.0208252,-0.0352206,0.00412943,0.00373505]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.11
S298 (cal/mol*K) = -7.90
G298 (kcal/mol) = -13.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(780); H(25), C7H10(780); C7H9(5)+H(25)(+M)=>C7H10(780)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.590e+00 -2.279e+00 -1.502e-01 8.827e-03 / CHEB/ 4.781e+00 1.514e+00 -7.009e-02 -3.764e-02 / CHEB/ 6.810e-01 4.047e-01 -4.235e-02 -5.379e-02 / CHEB/ -1.430e-01 7.954e-02 4.732e-02 6.202e-03 / CHEB/ -1.040e-01 1.108e-02 2.986e-02 1.380e-02 / CHEB/ -2.083e-02 -3.522e-02 4.129e-03 3.735e-03 /

5359.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	+0.3	+1.5	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-5.4	-0.6	+1.1	+1.7

Chebyshev(coeffs=[[3.05852,-2.33836,-0.163602,0.00390395],[4.33128,1.50883,-0.0543249,-0.0276098],[0.615607,0.418261,-0.0514092,-0.0577889],[-0.156758,0.0854664,0.0427219,0.00343852],[-0.113313,0.0203784,0.0320563,0.0162228],[-0.0258122,-0.0269233,0.0031897,0.00481029]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.31
S298 (cal/mol*K) = -7.56
G298 (kcal/mol) = -16.05

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(781); H(25), C7H10(781); C7H9(5)+H(25)(+M)=>C7H10(781)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.059e+00 -2.338e+00 -1.636e-01 3.904e-03 / CHEB/ 4.331e+00 1.509e+00 -5.432e-02 -2.761e-02 / CHEB/ 6.156e-01 4.183e-01 -5.141e-02 -5.779e-02 / CHEB/ -1.568e-01 8.547e-02 4.272e-02 3.439e-03 / CHEB/ -1.133e-01 2.038e-02 3.206e-02 1.622e-02 / CHEB/ -2.581e-02 -2.692e-02 3.190e-03 4.810e-03 /

5360.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-2.9	-0.4	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-3.5	-0.6	+0.6

Chebyshev(coeffs=[[-3.90967,-1.66491,-0.160012,-0.0239122],[10.2175,1.16006,-0.0968208,-0.0353204],[0.433947,0.354062,0.0467237,-0.0173005],[-0.0695227,0.00579816,0.051532,0.000998163],[-0.063356,-0.0544016,0.0306831,0.0120407],[-0.0226988,-0.0397892,0.00280562,0.00870068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.69
S298 (cal/mol*K) = 16.53
G298 (kcal/mol) = 21.76

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(610); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(610)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.910e+00 -1.665e+00 -1.600e-01 -2.391e-02 / CHEB/ 1.022e+01 1.160e+00 -9.682e-02 -3.532e-02 / CHEB/ 4.339e-01 3.541e-01 4.672e-02 -1.730e-02 / CHEB/ -6.952e-02 5.798e-03 5.153e-02 9.982e-04 / CHEB/ -6.336e-02 -5.440e-02 3.068e-02 1.204e-02 / CHEB/ -2.270e-02 -3.979e-02 2.806e-03 8.701e-03 /

5361.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+4.3	+4.7	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+4.1	+5.0	+4.9

Chebyshev(coeffs=[[8.18786,-0.788814,-0.281835,-0.0442118],[2.23492,1.36351,0.0648226,0.0424409],[0.251442,0.413137,-0.081132,-0.0637663],[-0.234839,0.123283,-0.000598786,-0.0227206],[-0.228547,0.0761299,0.0352129,0.0207538],[-0.12716,0.0303196,0.00649032,0.0161503]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -84.30
S298 (cal/mol*K) = -19.73
G298 (kcal/mol) = -78.42

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(608); H(25), C7H10(608); C7H9(5)+H(25)(+M)=>C7H10(608)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.188e+00 -7.888e-01 -2.818e-01 -4.421e-02 / CHEB/ 2.235e+00 1.364e+00 6.482e-02 4.244e-02 / CHEB/ 2.514e-01 4.131e-01 -8.113e-02 -6.377e-02 / CHEB/ -2.348e-01 1.233e-01 -5.988e-04 -2.272e-02 / CHEB/ -2.285e-01 7.613e-02 3.521e-02 2.075e-02 / CHEB/ -1.272e-01 3.032e-02 6.490e-03 1.615e-02 /

5362.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-3.4	-0.2	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-13.8	-3.8	-0.4	+1.2

Chebyshev(coeffs=[[-5.59635,-1.48736,-0.156929,-0.0185391],[12.3006,1.06613,-0.08942,-0.0404889],[0.559803,0.325613,0.0628585,-0.017501],[3.81959e-05,-0.0239842,0.0526821,0.00422676],[-0.0521652,-0.0658169,0.0224561,0.0143397],[-0.0187998,-0.0328085,-0.00366827,0.00798851]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.60
S298 (cal/mol*K) = 2.08
G298 (kcal/mol) = 29.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(782); H(25), C7H10(782); C7H9(5)+H(25)(+M)=>C7H10(782)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.596e+00 -1.487e+00 -1.569e-01 -1.854e-02 / CHEB/ 1.230e+01 1.066e+00 -8.942e-02 -4.049e-02 / CHEB/ 5.598e-01 3.256e-01 6.286e-02 -1.750e-02 / CHEB/ 3.820e-05 -2.398e-02 5.268e-02 4.227e-03 / CHEB/ -5.217e-02 -6.582e-02 2.246e-02 1.434e-02 / CHEB/ -1.880e-02 -3.281e-02 -3.668e-03 7.989e-03 /

5363.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-1.5	+1.0	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-2.1	+0.8	+2.1

Chebyshev(coeffs=[[-1.45705,-1.8356,-0.116646,0.0109523],[8.82617,1.28617,-0.137819,-0.0746494],[0.788803,0.373022,0.0366754,-0.0118861],[-0.035513,0.0309087,0.0460989,0.00278093],[-0.0534611,-0.0453082,0.0309168,0.00705408],[-0.0150307,-0.0515487,0.00721555,0.00677252]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.77
S298 (cal/mol*K) = 0.02
G298 (kcal/mol) = 13.77

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(783); H(25), C7H10(783); C7H9(5)+H(25)(+M)=>C7H10(783)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.457e+00 -1.836e+00 -1.166e-01 1.095e-02 / CHEB/ 8.826e+00 1.286e+00 -1.378e-01 -7.465e-02 / CHEB/ 7.888e-01 3.730e-01 3.668e-02 -1.189e-02 / CHEB/ -3.551e-02 3.091e-02 4.610e-02 2.781e-03 / CHEB/ -5.346e-02 -4.531e-02 3.092e-02 7.054e-03 / CHEB/ -1.503e-02 -5.155e-02 7.216e-03 6.773e-03 /

5364.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+3.6	+5.6	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-3.3	+2.9	+5.2	+6.2

Chebyshev(coeffs=[[5.37412,-2.17143,-0.133344,0.0134979],[6.11858,1.52112,-0.0961073,-0.0554274],[0.914249,0.38061,-0.0195979,-0.0424365],[-0.0804798,0.0646489,0.0539966,0.0102338],[-0.0769203,-0.00858708,0.0283824,0.0103668],[-0.0103845,-0.0480455,0.00712749,0.00300942]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.71
S298 (cal/mol*K) = -0.44
G298 (kcal/mol) = -7.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(784); H(25), C7H10(784); C7H9(5)+H(25)(+M)=>C7H10(784)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.374e+00 -2.171e+00 -1.333e-01 1.350e-02 / CHEB/ 6.119e+00 1.521e+00 -9.611e-02 -5.543e-02 / CHEB/ 9.142e-01 3.806e-01 -1.960e-02 -4.244e-02 / CHEB/ -8.048e-02 6.465e-02 5.400e-02 1.023e-02 / CHEB/ -7.692e-02 -8.587e-03 2.838e-02 1.037e-02 / CHEB/ -1.038e-02 -4.805e-02 7.127e-03 3.009e-03 /

5365.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+3.6	+5.5	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-3.4	+2.8	+5.2	+6.2

Chebyshev(coeffs=[[5.32227,-2.16817,-0.132805,0.0136758],[6.14739,1.52021,-0.0970572,-0.0559905],[0.916177,0.379885,-0.0187918,-0.042017],[-0.0799784,0.0643473,0.0540302,0.0102771],[-0.0765826,-0.00906647,0.0283206,0.0102613],[-0.0102855,-0.0482767,0.00721368,0.00300884]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.46
S298 (cal/mol*K) = -0.44
G298 (kcal/mol) = -7.33

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(785); H(25), C7H10(785); C7H9(5)+H(25)(+M)=>C7H10(785)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.322e+00 -2.168e+00 -1.328e-01 1.368e-02 / CHEB/ 6.147e+00 1.520e+00 -9.706e-02 -5.599e-02 / CHEB/ 9.162e-01 3.799e-01 -1.879e-02 -4.202e-02 / CHEB/ -7.998e-02 6.435e-02 5.403e-02 1.028e-02 / CHEB/ -7.658e-02 -9.066e-03 2.832e-02 1.026e-02 / CHEB/ -1.029e-02 -4.828e-02 7.214e-03 3.009e-03 /

5366.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+1.7	+3.6	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-5.2	+0.9	+3.2	+4.2

Chebyshev(coeffs=[[3.45153,-2.17673,-0.133491,0.0139522],[6.06172,1.51314,-0.0974423,-0.0554149],[0.883039,0.381036,-0.0201476,-0.0425778],[-0.0903607,0.0670927,0.0529843,0.0098356],[-0.0807763,-0.00636432,0.0280911,0.0103097],[-0.0117573,-0.0467006,0.00716858,0.00300633]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.46
S298 (cal/mol*K) = -0.44
G298 (kcal/mol) = -7.33

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(786); H(25), C7H10(786); C7H9(5)+H(25)(+M)=>C7H10(786)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.452e+00 -2.177e+00 -1.335e-01 1.395e-02 / CHEB/ 6.062e+00 1.513e+00 -9.744e-02 -5.541e-02 / CHEB/ 8.830e-01 3.810e-01 -2.015e-02 -4.258e-02 / CHEB/ -9.036e-02 6.709e-02 5.298e-02 9.836e-03 / CHEB/ -8.078e-02 -6.364e-03 2.809e-02 1.031e-02 / CHEB/ -1.176e-02 -4.670e-02 7.169e-03 3.006e-03 /

5367.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+1.7	+3.6	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-5.2	+0.9	+3.2	+4.2

Chebyshev(coeffs=[[3.5029,-2.18,-0.13404,0.0137649],[6.03238,1.51413,-0.0964552,-0.054836],[0.880883,0.381771,-0.0209585,-0.0430019],[-0.0909794,0.0673865,0.0529541,0.00979042],[-0.0810395,-0.00590464,0.0281534,0.0104191],[-0.0116894,-0.0464885,0.00707749,0.00301161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.71
S298 (cal/mol*K) = -0.44
G298 (kcal/mol) = -7.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(787); H(25), C7H10(787); C7H9(5)+H(25)(+M)=>C7H10(787)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.503e+00 -2.180e+00 -1.340e-01 1.376e-02 / CHEB/ 6.032e+00 1.514e+00 -9.646e-02 -5.484e-02 / CHEB/ 8.809e-01 3.818e-01 -2.096e-02 -4.300e-02 / CHEB/ -9.098e-02 6.739e-02 5.295e-02 9.790e-03 / CHEB/ -8.104e-02 -5.905e-03 2.815e-02 1.042e-02 / CHEB/ -1.169e-02 -4.649e-02 7.077e-03 3.012e-03 /

5368.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+3.6	+4.3	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+2.6	+3.7	+4.1

Chebyshev(coeffs=[[7.28654,-2.53298,-0.186851,-0.00387805],[2.90668,1.41213,-0.000233015,0.00768562],[0.30465,0.468731,-0.0673516,-0.0639398],[-0.189123,0.121612,0.0111884,-0.0157593],[-0.123551,0.0526485,0.0299567,0.0189576],[-0.0384734,0.00486423,-2.83685e-05,0.0106914]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -78.02
S298 (cal/mol*K) = -21.86
G298 (kcal/mol) = -71.51

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(788); H(25), C7H10(788); C7H9(5)+H(25)(+M)=>C7H10(788)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.287e+00 -2.533e+00 -1.869e-01 -3.878e-03 / CHEB/ 2.907e+00 1.412e+00 -2.330e-04 7.686e-03 / CHEB/ 3.047e-01 4.687e-01 -6.735e-02 -6.394e-02 / CHEB/ -1.891e-01 1.216e-01 1.119e-02 -1.576e-02 / CHEB/ -1.236e-01 5.265e-02 2.996e-02 1.896e-02 / CHEB/ -3.847e-02 4.864e-03 -2.837e-05 1.069e-02 /

5409.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+3.8	+4.9	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+3.0	+4.5	+4.7

Chebyshev(coeffs=[[5.52206,-2.17805,-0.281285,-0.0356144],[5.47202,1.36762,0.0285659,-0.01096],[0.372978,0.449421,0.0456453,0.0179859],[-0.329162,0.0455424,0.00288635,-0.0214256],[-0.215738,-0.0203227,0.0261021,-0.00832073],[-0.0959488,-0.0300677,0.0168498,0.00693009]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.24
S298 (cal/mol*K) = -6.17
G298 (kcal/mol) = 2.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(638); H(25), C7H10(638); C7H9(5)+H(25)(+M)=>C7H10(638)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.522e+00 -2.178e+00 -2.813e-01 -3.561e-02 / CHEB/ 5.472e+00 1.368e+00 2.857e-02 -1.096e-02 / CHEB/ 3.730e-01 4.494e-01 4.565e-02 1.799e-02 / CHEB/ -3.292e-01 4.554e-02 2.886e-03 -2.143e-02 / CHEB/ -2.157e-01 -2.032e-02 2.610e-02 -8.321e-03 / CHEB/ -9.595e-02 -3.007e-02 1.685e-02 6.930e-03 /

5410.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+1.5	+3.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-6.0	+0.8	+2.6	+3.0

Chebyshev(coeffs=[[1.96059,-1.98519,-0.286044,-0.0484986],[7.36327,1.33505,0.0499758,0.0133068],[0.269746,0.409393,0.0427336,-0.00192302],[-0.306003,0.0289274,0.025134,-0.0206742],[-0.204642,-0.0373136,0.0275689,0.000695247],[-0.0917236,-0.0366045,0.00747712,0.00904047]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.25
S298 (cal/mol*K) = -7.88
G298 (kcal/mol) = -5.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(887); H(25), C7H10(887); C7H9(5)+H(25)(+M)=>C7H10(887)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.961e+00 -1.985e+00 -2.860e-01 -4.850e-02 / CHEB/ 7.363e+00 1.335e+00 4.998e-02 1.331e-02 / CHEB/ 2.697e-01 4.094e-01 4.273e-02 -1.923e-03 / CHEB/ -3.060e-01 2.893e-02 2.513e-02 -2.067e-02 / CHEB/ -2.046e-01 -3.731e-02 2.757e-02 6.952e-04 / CHEB/ -9.172e-02 -3.660e-02 7.477e-03 9.040e-03 /

5411.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+2.6	+4.2	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-5.2	+1.9	+3.9	+4.3

Chebyshev(coeffs=[[2.87292,-1.94969,-0.282767,-0.0483269],[7.70261,1.35827,0.0552656,0.0138032],[0.352245,0.404097,0.0478304,-0.00345692],[-0.286202,0.0211331,0.029194,-0.0196958],[-0.197277,-0.0430947,0.0272802,0.00265665],[-0.0874335,-0.0389692,0.00500876,0.00955106]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.69
S298 (cal/mol*K) = 16.47
G298 (kcal/mol) = 5.78

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(888); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(888)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.873e+00 -1.950e+00 -2.828e-01 -4.833e-02 / CHEB/ 7.703e+00 1.358e+00 5.527e-02 1.380e-02 / CHEB/ 3.522e-01 4.041e-01 4.783e-02 -3.457e-03 / CHEB/ -2.862e-01 2.113e-02 2.919e-02 -1.970e-02 / CHEB/ -1.973e-01 -4.309e-02 2.728e-02 2.657e-03 / CHEB/ -8.743e-02 -3.897e-02 5.009e-03 9.551e-03 /

5412.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.9	-4.1	-0.4	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-4.3	-0.4	+1.0

Chebyshev(coeffs=[[-10.2492,-0.888042,-0.323626,-0.0382434],[17.8836,0.755245,0.212433,-0.0141236],[-0.129371,0.14527,0.0820697,0.0195973],[-0.266192,-0.0459304,0.00160468,0.0114536],[-0.152614,-0.040312,-0.0154216,0.00150815],[-0.0649177,-0.016922,-0.0105088,-0.00273333]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.85
S298 (cal/mol*K) = 25.30
G298 (kcal/mol) = 45.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(889); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(889)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.025e+01 -8.880e-01 -3.236e-01 -3.824e-02 / CHEB/ 1.788e+01 7.552e-01 2.124e-01 -1.412e-02 / CHEB/ -1.294e-01 1.453e-01 8.207e-02 1.960e-02 / CHEB/ -2.662e-01 -4.593e-02 1.605e-03 1.145e-02 / CHEB/ -1.526e-01 -4.031e-02 -1.542e-02 1.508e-03 / CHEB/ -6.492e-02 -1.692e-02 -1.051e-02 -2.733e-03 /

5413.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+0.8	+2.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-7.7	+0.2	+2.4	+3.0

Chebyshev(coeffs=[[0.261365,-1.81881,-0.279922,-0.0469561],[8.97593,1.32562,0.0604925,0.0155862],[0.316679,0.372715,0.0598175,-0.0125505],[-0.266678,0.00480668,0.0383844,-0.0137994],[-0.18726,-0.0520104,0.0217744,0.00781577],[-0.0832959,-0.0394118,-0.00132302,0.00925382]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.82
S298 (cal/mol*K) = -5.90
G298 (kcal/mol) = -41.06

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(890); H(25), C7H10(890); C7H9(5)+H(25)(+M)=>C7H10(890)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.614e-01 -1.819e+00 -2.799e-01 -4.696e-02 / CHEB/ 8.976e+00 1.326e+00 6.049e-02 1.559e-02 / CHEB/ 3.167e-01 3.727e-01 5.982e-02 -1.255e-02 / CHEB/ -2.667e-01 4.807e-03 3.838e-02 -1.380e-02 / CHEB/ -1.873e-01 -5.201e-02 2.177e-02 7.816e-03 / CHEB/ -8.330e-02 -3.941e-02 -1.323e-03 9.254e-03 /

5414.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-2.6	+0.4	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-2.9	+0.4	+1.5

Chebyshev(coeffs=[[-6.92468,-1.178,-0.323308,-0.0182947],[14.943,0.961827,0.16361,-0.0347864],[-0.0242923,0.211857,0.0959858,0.0059451],[-0.261741,-0.0389897,0.0199802,0.0128479],[-0.163033,-0.0500654,-0.00935713,0.00767744],[-0.0706723,-0.0256009,-0.0123764,7.64394e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.57
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = 14.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(891); H(25), C7H10(891); C7H9(5)+H(25)(+M)=>C7H10(891)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.925e+00 -1.178e+00 -3.233e-01 -1.829e-02 / CHEB/ 1.494e+01 9.618e-01 1.636e-01 -3.479e-02 / CHEB/ -2.429e-02 2.119e-01 9.599e-02 5.945e-03 / CHEB/ -2.617e-01 -3.899e-02 1.998e-02 1.285e-02 / CHEB/ -1.630e-01 -5.007e-02 -9.357e-03 7.677e-03 / CHEB/ -7.067e-02 -2.560e-02 -1.238e-02 7.644e-05 /

5415.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.1	+0.5	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-2.5	+0.4	+1.4

Chebyshev(coeffs=[[-5.46495,-1.34568,-0.312634,-0.0176644],[13.3401,1.05878,0.125528,-0.0302636],[0.00467187,0.254501,0.0945671,-0.00508003],[-0.26547,-0.0287492,0.0299738,0.00934518],[-0.172406,-0.0526744,-0.00242534,0.0105054],[-0.0764551,-0.0301695,-0.0112455,0.00254758]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.67
S298 (cal/mol*K) = -1.82
G298 (kcal/mol) = 3.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(892); H(25), C7H10(892); C7H9(5)+H(25)(+M)=>C7H10(892)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.465e+00 -1.346e+00 -3.126e-01 -1.766e-02 / CHEB/ 1.334e+01 1.059e+00 1.255e-01 -3.026e-02 / CHEB/ 4.672e-03 2.545e-01 9.457e-02 -5.080e-03 / CHEB/ -2.655e-01 -2.875e-02 2.997e-02 9.345e-03 / CHEB/ -1.724e-01 -5.267e-02 -2.425e-03 1.051e-02 / CHEB/ -7.646e-02 -3.017e-02 -1.125e-02 2.548e-03 /

5416.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.1	+0.5	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-2.5	+0.4	+1.4

H298 (kcal/mol) = 2.67
S298 (cal/mol*K) = -1.82
G298 (kcal/mol) = 3.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(893); H(25), C7H10(893); C7H9(5)+H(25)(+M)=>C7H10(893)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.465e+00 -1.346e+00 -3.126e-01 -1.766e-02 / CHEB/ 1.334e+01 1.059e+00 1.255e-01 -3.026e-02 / CHEB/ 4.672e-03 2.545e-01 9.457e-02 -5.080e-03 / CHEB/ -2.655e-01 -2.875e-02 2.997e-02 9.345e-03 / CHEB/ -1.724e-01 -5.267e-02 -2.425e-03 1.051e-02 / CHEB/ -7.646e-02 -3.017e-02 -1.125e-02 2.548e-03 /

5417.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-4.9	-1.4	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-5.1	-1.5	-0.1

Chebyshev(coeffs=[[-10.6993,-0.928424,-0.327972,-0.0352003],[17.2581,0.774693,0.206247,-0.0186584],[-0.194932,0.158441,0.0847961,0.0175229],[-0.275703,-0.0426952,0.00493752,0.0119627],[-0.158105,-0.0415193,-0.0144812,0.00260387],[-0.0488994,-0.0193387,-0.0110576,-0.0022322]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.57
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = 14.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(894); H(25), C7H10(894); C7H9(5)+H(25)(+M)=>C7H10(894)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.070e+01 -9.284e-01 -3.280e-01 -3.520e-02 / CHEB/ 1.726e+01 7.747e-01 2.062e-01 -1.866e-02 / CHEB/ -1.949e-01 1.584e-01 8.480e-02 1.752e-02 / CHEB/ -2.757e-01 -4.270e-02 4.938e-03 1.196e-02 / CHEB/ -1.581e-01 -4.152e-02 -1.448e-02 2.604e-03 / CHEB/ -4.890e-02 -1.934e-02 -1.106e-02 -2.232e-03 /

5418.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+1.8	+3.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+1.1	+3.1	+3.5

Chebyshev(coeffs=[[2.1233,-1.95858,-0.28358,-0.0483893],[7.61648,1.35244,0.053942,0.0136921],[0.332001,0.405787,0.0465323,-0.00309282],[-0.290952,0.023381,0.0281965,-0.0199713],[-0.19939,-0.0416101,0.0273898,0.0021523],[-0.0884689,-0.0384516,0.00565308,0.00943826]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.67
S298 (cal/mol*K) = -1.82
G298 (kcal/mol) = 3.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(895); H(25), C7H10(895); C7H9(5)+H(25)(+M)=>C7H10(895)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.123e+00 -1.959e+00 -2.836e-01 -4.839e-02 / CHEB/ 7.616e+00 1.352e+00 5.394e-02 1.369e-02 / CHEB/ 3.320e-01 4.058e-01 4.653e-02 -3.093e-03 / CHEB/ -2.910e-01 2.338e-02 2.820e-02 -1.997e-02 / CHEB/ -1.994e-01 -4.161e-02 2.739e-02 2.152e-03 / CHEB/ -8.847e-02 -3.845e-02 5.653e-03 9.438e-03 /

5419.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-2.5	-0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-3.0	-0.2	+0.6

Chebyshev(coeffs=[[-4.91182,-1.50104,-0.296581,-0.0254451],[11.9349,1.15701,0.0930501,-0.0145917],[0.0940191,0.292438,0.088831,-0.0136222],[-0.263531,-0.0205805,0.0370795,0.00359793],[-0.176549,-0.0549794,0.0045295,0.0119505],[-0.0782747,-0.0338747,-0.00956684,0.00483821]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.62
S298 (cal/mol*K) = -6.91
G298 (kcal/mol) = -32.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(896); H(25), C7H10(896); C7H9(5)+H(25)(+M)=>C7H10(896)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.912e+00 -1.501e+00 -2.966e-01 -2.545e-02 / CHEB/ 1.193e+01 1.157e+00 9.305e-02 -1.459e-02 / CHEB/ 9.402e-02 2.924e-01 8.883e-02 -1.362e-02 / CHEB/ -2.635e-01 -2.058e-02 3.708e-02 3.598e-03 / CHEB/ -1.765e-01 -5.498e-02 4.530e-03 1.195e-02 / CHEB/ -7.827e-02 -3.387e-02 -9.567e-03 4.838e-03 /

5420.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	+1.5	+3.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+0.8	+3.2	+4.3

Chebyshev(coeffs=[[2.50532,-1.85754,-0.0570743,0.0197833],[7.12176,1.15731,-0.21161,-0.0549032],[0.924917,0.497829,0.0531806,-0.0468477],[-0.154708,0.0712901,0.0696368,0.0161354],[-0.138806,-0.0468907,0.0090398,0.006246],[0.00283388,-0.053666,-0.00645397,-0.00325625]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.87
S298 (cal/mol*K) = -2.24
G298 (kcal/mol) = 5.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(880); H(25), C7H10(880); C7H9(5)+H(25)(+M)=>C7H10(880)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.505e+00 -1.858e+00 -5.707e-02 1.978e-02 / CHEB/ 7.122e+00 1.157e+00 -2.116e-01 -5.490e-02 / CHEB/ 9.249e-01 4.978e-01 5.318e-02 -4.685e-02 / CHEB/ -1.547e-01 7.129e-02 6.964e-02 1.614e-02 / CHEB/ -1.388e-01 -4.689e-02 9.040e-03 6.246e-03 / CHEB/ 2.834e-03 -5.367e-02 -6.454e-03 -3.256e-03 /

5421.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	+0.2	+2.1	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-0.4	+1.9	+2.5

Chebyshev(coeffs=[[-0.779415,-1.74538,-0.28368,-0.0426015],[9.65501,1.2615,0.059386,0.0106303],[0.16804,0.356091,0.0653088,-0.0163586],[-0.279463,0.00384891,0.0394542,-0.0100816],[-0.189791,-0.0508076,0.0180371,0.00914828],[-0.0853136,-0.0375402,-0.00276572,0.00840728]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.57
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = 14.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(897); H(25), C7H10(897); C7H9(5)+H(25)(+M)=>C7H10(897)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.794e-01 -1.745e+00 -2.837e-01 -4.260e-02 / CHEB/ 9.655e+00 1.261e+00 5.939e-02 1.063e-02 / CHEB/ 1.680e-01 3.561e-01 6.531e-02 -1.636e-02 / CHEB/ -2.795e-01 3.849e-03 3.945e-02 -1.008e-02 / CHEB/ -1.898e-01 -5.081e-02 1.804e-02 9.148e-03 / CHEB/ -8.531e-02 -3.754e-02 -2.766e-03 8.407e-03 /

5422.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.9	-5.4	-2.1	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-5.7	-2.2	-1.0

Chebyshev(coeffs=[[-10.3387,-1.07202,-0.32864,-0.0235289],[15.934,0.883155,0.184374,-0.0311974],[-0.094545,0.189018,0.0925414,0.0116423],[-0.269925,-0.0409386,0.0135331,0.013085],[-0.161008,-0.0467451,-0.0120343,0.00558529],[-0.0693904,-0.0229597,-0.0120476,-0.00102712]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.98
S298 (cal/mol*K) = 0.93
G298 (kcal/mol) = 20.71

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(898); H(25), C7H10(898); C7H9(5)+H(25)(+M)=>C7H10(898)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.034e+01 -1.072e+00 -3.286e-01 -2.353e-02 / CHEB/ 1.593e+01 8.832e-01 1.844e-01 -3.120e-02 / CHEB/ -9.454e-02 1.890e-01 9.254e-02 1.164e-02 / CHEB/ -2.699e-01 -4.094e-02 1.353e-02 1.309e-02 / CHEB/ -1.610e-01 -4.675e-02 -1.203e-02 5.585e-03 / CHEB/ -6.939e-02 -2.296e-02 -1.205e-02 -1.027e-03 /

5423.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-0.8	+1.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-1.4	+0.9	+1.5

Chebyshev(coeffs=[[-1.87416,-1.73012,-0.284294,-0.0415736],[9.79038,1.25334,0.0602622,0.00929461],[0.150348,0.352636,0.0668529,-0.0167652],[-0.280393,0.0026241,0.0396622,-0.00925894],[-0.190188,-0.0511856,0.0172472,0.00948447],[-0.0855973,-0.0376493,-0.00322282,0.00823821]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.55
S298 (cal/mol*K) = -2.66
G298 (kcal/mol) = 11.35

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(899); H(25), C7H10(899); C7H9(5)+H(25)(+M)=>C7H10(899)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.874e+00 -1.730e+00 -2.843e-01 -4.157e-02 / CHEB/ 9.790e+00 1.253e+00 6.026e-02 9.295e-03 / CHEB/ 1.503e-01 3.526e-01 6.685e-02 -1.677e-02 / CHEB/ -2.804e-01 2.624e-03 3.966e-02 -9.259e-03 / CHEB/ -1.902e-01 -5.119e-02 1.725e-02 9.484e-03 / CHEB/ -8.560e-02 -3.765e-02 -3.223e-03 8.238e-03 /

5424.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	+0.8	+2.3	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.8	+0.1	+2.0	+2.4

Chebyshev(coeffs=[[1.20624,-1.97315,-0.285774,-0.048931],[7.5152,1.32781,0.0505627,0.0143639],[0.263911,0.410186,0.0432232,-0.00323772],[-0.301458,0.0312366,0.0261648,-0.0203083],[-0.207373,-0.0376747,0.0270927,0.00106168],[-0.0923562,-0.0378685,0.00697638,0.00910102]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.46
S298 (cal/mol*K) = -9.09
G298 (kcal/mol) = -10.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(462); H(25), C7H10(462); C7H9(5)+H(25)(+M)=>C7H10(462)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.206e+00 -1.973e+00 -2.858e-01 -4.893e-02 / CHEB/ 7.515e+00 1.328e+00 5.056e-02 1.436e-02 / CHEB/ 2.639e-01 4.102e-01 4.322e-02 -3.238e-03 / CHEB/ -3.015e-01 3.124e-02 2.616e-02 -2.031e-02 / CHEB/ -2.074e-01 -3.767e-02 2.709e-02 1.062e-03 / CHEB/ -9.236e-02 -3.787e-02 6.976e-03 9.101e-03 /

5425.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+2.2	+3.1	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+1.3	+2.7	+2.8

Chebyshev(coeffs=[[4.30078,-2.2452,-0.277886,-0.0308863],[4.82174,1.3543,0.01501,-0.0182501],[0.366385,0.458952,0.0483859,0.0216866],[-0.337907,0.0516781,-0.00460768,-0.0184764],[-0.224803,-0.0137233,0.0223313,-0.011358],[-0.0962879,-0.0249999,0.0194892,0.00529423]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.78
S298 (cal/mol*K) = -11.06
G298 (kcal/mol) = -61.48

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(900); H(25), C7H10(900); C7H9(5)+H(25)(+M)=>C7H10(900)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.301e+00 -2.245e+00 -2.779e-01 -3.089e-02 / CHEB/ 4.822e+00 1.354e+00 1.501e-02 -1.825e-02 / CHEB/ 3.664e-01 4.590e-01 4.839e-02 2.169e-02 / CHEB/ -3.379e-01 5.168e-02 -4.608e-03 -1.848e-02 / CHEB/ -2.248e-01 -1.372e-02 2.233e-02 -1.136e-02 / CHEB/ -9.629e-02 -2.500e-02 1.949e-02 5.294e-03 /

5426.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+2.2	+3.1	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+1.3	+2.7	+2.8

H298 (kcal/mol) = -48.25
S298 (cal/mol*K) = -5.84
G298 (kcal/mol) = -46.51

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(901); H(25), C7H10(901); C7H9(5)+H(25)(+M)=>C7H10(901)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.301e+00 -2.245e+00 -2.779e-01 -3.089e-02 / CHEB/ 4.822e+00 1.354e+00 1.501e-02 -1.825e-02 / CHEB/ 3.664e-01 4.590e-01 4.839e-02 2.169e-02 / CHEB/ -3.379e-01 5.168e-02 -4.608e-03 -1.848e-02 / CHEB/ -2.248e-01 -1.372e-02 2.233e-02 -1.136e-02 / CHEB/ -9.629e-02 -2.500e-02 1.949e-02 5.294e-03 /

5427.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-45.6	-18.4	-10.0	-6.3
log₁₀(k(10 bar)/[mole,m,s])	-45.7	-18.4	-10.0	-6.3

Chebyshev(coeffs=[[-37.781,-0.0812771,-0.0501557,-0.0223145],[38.5042,0.0613485,0.0359931,0.0142443],[-0.537036,0.00744878,0.00460741,0.00205078],[-0.298561,-0.0112604,-0.00629543,-0.00221484],[-0.133054,-0.000269064,-0.000550823,-0.000589722],[-0.0645659,0.000341958,0.000116898,-2.93383e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 119.20
S298 (cal/mol*K) = 39.90
G298 (kcal/mol) = 107.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(902); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>CH2(T)(82)+C6H8(902)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.778e+01 -8.128e-02 -5.016e-02 -2.231e-02 / CHEB/ 3.850e+01 6.135e-02 3.599e-02 1.424e-02 / CHEB/ -5.370e-01 7.449e-03 4.607e-03 2.051e-03 / CHEB/ -2.986e-01 -1.126e-02 -6.295e-03 -2.215e-03 / CHEB/ -1.331e-01 -2.691e-04 -5.508e-04 -5.897e-04 / CHEB/ -6.457e-02 3.420e-04 1.169e-04 -2.934e-05 /

5428.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-1.1	+0.6	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-1.7	+0.3	+0.7

Chebyshev(coeffs=[[-1.333,-1.86768,-0.285393,-0.0480176],[8.48756,1.28183,0.0506992,0.016176],[0.157739,0.384628,0.0503988,-0.0116748],[-0.299203,0.0206779,0.0336681,-0.0163671],[-0.20125,-0.0431025,0.0236677,0.00494485],[-0.0904927,-0.0370031,0.00271962,0.00904646]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.84
S298 (cal/mol*K) = -3.93
G298 (kcal/mol) = 15.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(903); H(25), C7H10(903); C7H9(5)+H(25)(+M)=>C7H10(903)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.333e+00 -1.868e+00 -2.854e-01 -4.802e-02 / CHEB/ 8.488e+00 1.282e+00 5.070e-02 1.618e-02 / CHEB/ 1.577e-01 3.846e-01 5.040e-02 -1.167e-02 / CHEB/ -2.992e-01 2.068e-02 3.367e-02 -1.637e-02 / CHEB/ -2.012e-01 -4.310e-02 2.367e-02 4.945e-03 / CHEB/ -9.049e-02 -3.700e-02 2.720e-03 9.046e-03 /

5429.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-2.5	+0.3	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-13.8	-2.9	+0.1	+1.1

Chebyshev(coeffs=[[-6.17851,-1.28756,-0.318685,-0.0166508],[13.8603,1.01703,0.1386,-0.0337572],[-0.0423316,0.242873,0.0950702,-0.00148901],[-0.272804,-0.029487,0.0270948,0.0105895],[-0.171577,-0.0513466,-0.00439358,0.00960481],[-0.0748174,-0.0291262,-0.0116946,0.00183309]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.57
S298 (cal/mol*K) = -2.82
G298 (kcal/mol) = -18.73

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(904); H(25), C7H10(904); C7H9(5)+H(25)(+M)=>C7H10(904)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.179e+00 -1.288e+00 -3.187e-01 -1.665e-02 / CHEB/ 1.386e+01 1.017e+00 1.386e-01 -3.376e-02 / CHEB/ -4.233e-02 2.429e-01 9.507e-02 -1.489e-03 / CHEB/ -2.728e-01 -2.949e-02 2.709e-02 1.059e-02 / CHEB/ -1.716e-01 -5.135e-02 -4.394e-03 9.605e-03 / CHEB/ -7.482e-02 -2.913e-02 -1.169e-02 1.833e-03 /

5430.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-4.1	-0.4	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-4.3	-0.5	+0.9

Chebyshev(coeffs=[[-10.3121,-0.893943,-0.326796,-0.0387652],[17.903,0.744146,0.209102,-0.0146726],[-0.157604,0.151357,0.0819634,0.0183262],[-0.277908,-0.0418011,0.00318264,0.0113427],[-0.163864,-0.039851,-0.0143572,0.0020299],[-0.0926574,-0.0172743,-0.0103594,-0.00240202]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.30
S298 (cal/mol*K) = 4.83
G298 (kcal/mol) = 16.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(905); H(25), C7H10(905); C7H9(5)+H(25)(+M)=>C7H10(905)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.031e+01 -8.939e-01 -3.268e-01 -3.877e-02 / CHEB/ 1.790e+01 7.441e-01 2.091e-01 -1.467e-02 / CHEB/ -1.576e-01 1.514e-01 8.196e-02 1.833e-02 / CHEB/ -2.779e-01 -4.180e-02 3.183e-03 1.134e-02 / CHEB/ -1.639e-01 -3.985e-02 -1.436e-02 2.030e-03 / CHEB/ -9.266e-02 -1.727e-02 -1.036e-02 -2.402e-03 /

5431.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-4.4	-1.1	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-4.6	-1.2	+0.2

Chebyshev(coeffs=[[-9.80578,-0.992486,-0.330157,-0.0296248],[16.6502,0.81948,0.197338,-0.025031],[-0.214161,0.174896,0.0886316,0.0148067],[-0.279989,-0.0410687,0.00899306,0.0125889],[-0.129803,-0.0451407,-0.0134456,0.00414048],[-0.0581692,-0.0211187,-0.0116585,-0.00169944]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.30
S298 (cal/mol*K) = 4.83
G298 (kcal/mol) = 16.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(906); H(25), C7H10(906); C7H9(5)+H(25)(+M)=>C7H10(906)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.806e+00 -9.925e-01 -3.302e-01 -2.962e-02 / CHEB/ 1.665e+01 8.195e-01 1.973e-01 -2.503e-02 / CHEB/ -2.142e-01 1.749e-01 8.863e-02 1.481e-02 / CHEB/ -2.800e-01 -4.107e-02 8.993e-03 1.259e-02 / CHEB/ -1.298e-01 -4.514e-02 -1.345e-02 4.140e-03 / CHEB/ -5.817e-02 -2.112e-02 -1.166e-02 -1.699e-03 /

5432.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+3.3	+4.7	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+2.6	+4.4	+4.8

Chebyshev(coeffs=[[4.3858,-2.06879,-0.279341,-0.0410108],[6.51017,1.41244,0.0475061,-0.00125859],[0.492491,0.434973,0.0493681,0.0108837],[-0.290428,0.0292687,0.0164423,-0.0226485],[-0.199879,-0.0357456,0.029764,-0.00271681],[-0.087613,-0.0383312,0.0109679,0.0092444]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.73
S298 (cal/mol*K) = -1.07
G298 (kcal/mol) = -1.41

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(907); H(25), C7H10(907); C7H9(5)+H(25)(+M)=>C7H10(907)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.386e+00 -2.069e+00 -2.793e-01 -4.101e-02 / CHEB/ 6.510e+00 1.412e+00 4.751e-02 -1.259e-03 / CHEB/ 4.925e-01 4.350e-01 4.937e-02 1.088e-02 / CHEB/ -2.904e-01 2.927e-02 1.644e-02 -2.265e-02 / CHEB/ -1.999e-01 -3.575e-02 2.976e-02 -2.717e-03 / CHEB/ -8.761e-02 -3.833e-02 1.097e-02 9.244e-03 /

5433.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.9	+5.4	+6.4	+6.2
log₁₀(k(10 bar)/[mole,m,s])	-0.5	+4.5	+5.9	+6.0

Chebyshev(coeffs=[[7.52469,-2.2484,-0.277205,-0.0305027],[4.79821,1.35658,0.0141885,-0.0188081],[0.374365,0.460113,0.0490705,0.0218605],[-0.336624,0.051721,-0.00488174,-0.0182014],[-0.224245,-0.013578,0.0221512,-0.0115434],[-0.0960103,-0.024832,0.0196298,0.00523174]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -62.11
S298 (cal/mol*K) = -6.79
G298 (kcal/mol) = -60.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(908); H(25), C7H10(908); C7H9(5)+H(25)(+M)=>C7H10(908)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.525e+00 -2.248e+00 -2.772e-01 -3.050e-02 / CHEB/ 4.798e+00 1.357e+00 1.419e-02 -1.881e-02 / CHEB/ 3.744e-01 4.601e-01 4.907e-02 2.186e-02 / CHEB/ -3.366e-01 5.172e-02 -4.882e-03 -1.820e-02 / CHEB/ -2.242e-01 -1.358e-02 2.215e-02 -1.154e-02 / CHEB/ -9.601e-02 -2.483e-02 1.963e-02 5.232e-03 /

5434.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+3.5	+4.4	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+2.6	+4.0	+4.1

Chebyshev(coeffs=[[5.50951,-2.22952,-0.27824,-0.0317477],[4.9208,1.36215,0.0182092,-0.0171775],[0.347089,0.459241,0.0483588,0.0211164],[-0.342762,0.0511931,-0.00292305,-0.0191868],[-0.220009,-0.0150459,0.0233057,-0.010827],[-0.101963,-0.0278852,0.0189851,0.00579308]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.31
S298 (cal/mol*K) = -11.58
G298 (kcal/mol) = -65.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(909); H(25), C7H10(909); C7H9(5)+H(25)(+M)=>C7H10(909)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.510e+00 -2.230e+00 -2.782e-01 -3.175e-02 / CHEB/ 4.921e+00 1.362e+00 1.821e-02 -1.718e-02 / CHEB/ 3.471e-01 4.592e-01 4.836e-02 2.112e-02 / CHEB/ -3.428e-01 5.119e-02 -2.923e-03 -1.919e-02 / CHEB/ -2.200e-01 -1.505e-02 2.331e-02 -1.083e-02 / CHEB/ -1.020e-01 -2.789e-02 1.899e-02 5.793e-03 /

5435.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-1.6	+1.1	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-2.0	+0.9	+1.9

Chebyshev(coeffs=[[-5.27923,-1.28089,-0.322023,-0.0165238],[13.8082,0.998896,0.139074,-0.0348569],[-0.116064,0.243456,0.0936192,-0.00144142],[-0.288552,-0.0269831,0.0268286,0.010286],[-0.17585,-0.0500026,-0.0039431,0.0094668],[-0.0769232,-0.0289113,-0.011172,0.00197832]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.96
S298 (cal/mol*K) = 4.06
G298 (kcal/mol) = 6.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(910); H(25), C7H10(910); C7H9(5)+H(25)(+M)=>C7H10(910)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.279e+00 -1.281e+00 -3.220e-01 -1.652e-02 / CHEB/ 1.381e+01 9.989e-01 1.391e-01 -3.486e-02 / CHEB/ -1.161e-01 2.435e-01 9.362e-02 -1.441e-03 / CHEB/ -2.886e-01 -2.698e-02 2.683e-02 1.029e-02 / CHEB/ -1.758e-01 -5.000e-02 -3.943e-03 9.467e-03 / CHEB/ -7.692e-02 -2.891e-02 -1.117e-02 1.978e-03 /

5461.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+2.8	+4.7	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-5.1	+1.7	+4.1	+5.0

Chebyshev(coeffs=[[2.97131,-2.9813,-0.735871,-0.0516738],[7.80155,2.0675,0.152278,-0.102172],[0.36607,0.296924,0.193092,0.00716928],[0.00772501,0.144949,0.0924725,0.0175332],[-0.0785579,0.0496271,0.0342392,0.0155716],[-0.0840875,-0.0176681,0.0043193,0.0084073]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.39
S298 (cal/mol*K) = 8.64
G298 (kcal/mol) = -10.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(911); H(25), C7H11(911); C7H10(1)+H(25)(+M)=>C7H11(911)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.971e+00 -2.981e+00 -7.359e-01 -5.167e-02 / CHEB/ 7.802e+00 2.067e+00 1.523e-01 -1.022e-01 / CHEB/ 3.661e-01 2.969e-01 1.931e-01 7.169e-03 / CHEB/ 7.725e-03 1.449e-01 9.247e-02 1.753e-02 / CHEB/ -7.856e-02 4.963e-02 3.424e-02 1.557e-02 / CHEB/ -8.409e-02 -1.767e-02 4.319e-03 8.407e-03 /

5462.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	+1.7	+4.1	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+0.7	+3.7	+4.9

Chebyshev(coeffs=[[0.496337,-2.43108,-0.769511,-0.0831967],[9.99035,1.70119,0.278889,-0.0747624],[0.556842,0.226275,0.178969,0.024938],[0.0254923,0.151064,0.0798913,0.0228001],[-0.0777026,0.0499557,0.0302592,0.01402],[-0.0783632,-0.0215601,0.00165063,0.00706786]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.85
S298 (cal/mol*K) = 36.44
G298 (kcal/mol) = 4.99

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(908); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(908)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.963e-01 -2.431e+00 -7.695e-01 -8.320e-02 / CHEB/ 9.990e+00 1.701e+00 2.789e-01 -7.476e-02 / CHEB/ 5.568e-01 2.263e-01 1.790e-01 2.494e-02 / CHEB/ 2.549e-02 1.511e-01 7.989e-02 2.280e-02 / CHEB/ -7.770e-02 4.996e-02 3.026e-02 1.402e-02 / CHEB/ -7.836e-02 -2.156e-02 1.651e-03 7.068e-03 /

5463.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	+0.5	+2.9	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-0.5	+2.4	+3.7

Chebyshev(coeffs=[[-0.813352,-2.38028,-0.780299,-0.0874331],[10.1054,1.61833,0.287949,-0.0712996],[0.486797,0.237109,0.171538,0.0244091],[0.00786907,0.156143,0.0797137,0.0216552],[-0.0831928,0.0507932,0.0310473,0.0135662],[-0.0798453,-0.0211845,0.00193494,0.0071881]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.44
S298 (cal/mol*K) = 10.05
G298 (kcal/mol) = -33.43

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(912); H(25), C7H11(912); C7H10(1)+H(25)(+M)=>C7H11(912)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.134e-01 -2.380e+00 -7.803e-01 -8.743e-02 / CHEB/ 1.011e+01 1.618e+00 2.879e-01 -7.130e-02 / CHEB/ 4.868e-01 2.371e-01 1.715e-01 2.441e-02 / CHEB/ 7.869e-03 1.561e-01 7.971e-02 2.166e-02 / CHEB/ -8.319e-02 5.079e-02 3.105e-02 1.357e-02 / CHEB/ -7.985e-02 -2.118e-02 1.935e-03 7.188e-03 /

5464.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+3.9	+4.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+2.9	+4.3	+5.1

Chebyshev(coeffs=[[6.30178,-3.20233,-0.528412,-0.0644506],[4.55598,2.57218,-0.00378003,-0.0608135],[0.213118,0.18018,0.197274,0.0133895],[-0.0187196,-0.00690504,0.0934516,0.0160276],[0.0165108,0.0542765,0.0278502,0.0107319],[-9.48539e-05,0.0493394,0.00491771,0.00433754]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.37
S298 (cal/mol*K) = 12.18
G298 (kcal/mol) = -32.00

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(913); H(25), C7H11(913); C7H10(1)+H(25)(+M)=>C7H11(913)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.302e+00 -3.202e+00 -5.284e-01 -6.445e-02 / CHEB/ 4.556e+00 2.572e+00 -3.780e-03 -6.081e-02 / CHEB/ 2.131e-01 1.802e-01 1.973e-01 1.339e-02 / CHEB/ -1.872e-02 -6.905e-03 9.345e-02 1.603e-02 / CHEB/ 1.651e-02 5.428e-02 2.785e-02 1.073e-02 / CHEB/ -9.485e-05 4.934e-02 4.918e-03 4.338e-03 /

5465.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-0.7	+2.4	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-1.5	+2.0	+3.5

Chebyshev(coeffs=[[-3.72485,-1.76777,-0.750744,-0.14211],[12.9452,1.07222,0.33846,-0.00583758],[0.41288,0.24419,0.139935,0.0313197],[0.00798129,0.16898,0.0779114,0.0184699],[-0.0796907,0.0431113,0.0294608,0.0133217],[-0.0743648,-0.0246538,-0.00194848,0.00655211]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.84
S298 (cal/mol*K) = 16.92
G298 (kcal/mol) = -9.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(914); H(25), C7H11(914); C7H10(1)+H(25)(+M)=>C7H11(914)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.725e+00 -1.768e+00 -7.507e-01 -1.421e-01 / CHEB/ 1.295e+01 1.072e+00 3.385e-01 -5.838e-03 / CHEB/ 4.129e-01 2.442e-01 1.399e-01 3.132e-02 / CHEB/ 7.981e-03 1.690e-01 7.791e-02 1.847e-02 / CHEB/ -7.969e-02 4.311e-02 2.946e-02 1.332e-02 / CHEB/ -7.436e-02 -2.465e-02 -1.948e-03 6.552e-03 /

5466.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+2.8	+4.8	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+1.7	+4.3	+5.4

Chebyshev(coeffs=[[2.54001,-2.81436,-0.744983,-0.0607611],[8.47808,1.98581,0.191418,-0.0950891],[0.46389,0.261094,0.194617,0.0130614],[0.0192601,0.143658,0.0882313,0.0202854],[-0.0776745,0.050438,0.0319862,0.0156268],[-0.0821693,-0.0186401,0.0032962,0.00781316]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.84
S298 (cal/mol*K) = 16.92
G298 (kcal/mol) = -9.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(915); H(25), C7H11(915); C7H10(1)+H(25)(+M)=>C7H11(915)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.540e+00 -2.814e+00 -7.450e-01 -6.076e-02 / CHEB/ 8.478e+00 1.986e+00 1.914e-01 -9.509e-02 / CHEB/ 4.639e-01 2.611e-01 1.946e-01 1.306e-02 / CHEB/ 1.926e-02 1.437e-01 8.823e-02 2.029e-02 / CHEB/ -7.767e-02 5.044e-02 3.199e-02 1.563e-02 / CHEB/ -8.217e-02 -1.864e-02 3.296e-03 7.813e-03 /

5467.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	+2.4	+4.5	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+1.3	+4.0	+5.1

Chebyshev(coeffs=[[1.93544,-2.7321,-0.750049,-0.0652711],[8.80782,1.93562,0.21088,-0.0913048],[0.499854,0.247821,0.193371,0.0158545],[0.022785,0.144439,0.0860651,0.0213247],[-0.0773874,0.0506554,0.0312315,0.0154213],[-0.0812154,-0.019273,0.00291365,0.00754673]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.64
S298 (cal/mol*K) = 16.50
G298 (kcal/mol) = -7.55

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(916); H(25), C7H11(916); C7H10(1)+H(25)(+M)=>C7H11(916)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.935e+00 -2.732e+00 -7.500e-01 -6.527e-02 / CHEB/ 8.808e+00 1.936e+00 2.109e-01 -9.130e-02 / CHEB/ 4.999e-01 2.478e-01 1.934e-01 1.585e-02 / CHEB/ 2.279e-02 1.444e-01 8.607e-02 2.132e-02 / CHEB/ -7.739e-02 5.066e-02 3.123e-02 1.542e-02 / CHEB/ -8.122e-02 -1.927e-02 2.914e-03 7.547e-03 /

5468.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+2.5	+4.5	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-5.8	+1.4	+3.9	+5.0

Chebyshev(coeffs=[[2.2584,-2.83853,-0.743463,-0.0594382],[8.38139,1.99977,0.185726,-0.0961591],[0.452482,0.265548,0.194781,0.0122438],[0.0182243,0.14351,0.0888849,0.0199488],[-0.0777052,0.0503195,0.0322473,0.0156664],[-0.0824299,-0.0184749,0.00341217,0.00789849]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.64
S298 (cal/mol*K) = 16.50
G298 (kcal/mol) = -7.55

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(917); H(25), C7H11(917); C7H10(1)+H(25)(+M)=>C7H11(917)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.258e+00 -2.839e+00 -7.435e-01 -5.944e-02 / CHEB/ 8.381e+00 2.000e+00 1.857e-01 -9.616e-02 / CHEB/ 4.525e-01 2.655e-01 1.948e-01 1.224e-02 / CHEB/ 1.822e-02 1.435e-01 8.888e-02 1.995e-02 / CHEB/ -7.771e-02 5.032e-02 3.225e-02 1.567e-02 / CHEB/ -8.243e-02 -1.847e-02 3.412e-03 7.898e-03 /

5469.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.2	-5.1	-0.6	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-19.9	-5.6	-0.8	+1.4

Chebyshev(coeffs=[[-12.4326,-0.964476,-0.524782,-0.176016],[19.7466,0.457322,0.226562,0.0567973],[0.185551,0.199192,0.106985,0.0325714],[-0.0244273,0.15445,0.0783791,0.0213103],[-0.0739951,0.0283411,0.0211901,0.0119543],[-0.0636105,-0.0260895,-0.00825684,0.0025648]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.39
S298 (cal/mol*K) = 40.41
G298 (kcal/mol) = 46.35

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(904); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(904)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.243e+01 -9.645e-01 -5.248e-01 -1.760e-01 / CHEB/ 1.975e+01 4.573e-01 2.266e-01 5.680e-02 / CHEB/ 1.856e-01 1.992e-01 1.070e-01 3.257e-02 / CHEB/ -2.443e-02 1.545e-01 7.838e-02 2.131e-02 / CHEB/ -7.400e-02 2.834e-02 2.119e-02 1.195e-02 / CHEB/ -6.361e-02 -2.609e-02 -8.257e-03 2.565e-03 /

5470.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.4	-8.0	-2.2	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-8.3	-2.3	+0.3

Chebyshev(coeffs=[[-20.3108,-0.495052,-0.30457,-0.134337],[27.2884,0.190382,0.114736,0.0481821],[-0.31521,0.124711,0.0722777,0.0277547],[-0.170455,0.102396,0.0596935,0.0232657],[-0.107309,0.0156201,0.0122837,0.0078427],[-0.0648085,-0.0186782,-0.00879448,-0.00140425]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.59
S298 (cal/mol*K) = 60.62
G298 (kcal/mol) = 69.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(918); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(918)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.031e+01 -4.951e-01 -3.046e-01 -1.343e-01 / CHEB/ 2.729e+01 1.904e-01 1.147e-01 4.818e-02 / CHEB/ -3.152e-01 1.247e-01 7.228e-02 2.775e-02 / CHEB/ -1.705e-01 1.024e-01 5.969e-02 2.327e-02 / CHEB/ -1.073e-01 1.562e-02 1.228e-02 7.843e-03 / CHEB/ -6.481e-02 -1.868e-02 -8.794e-03 -1.404e-03 /

5471.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.9	-7.7	-2.2	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-25.4	-8.0	-2.4	+0.1

Chebyshev(coeffs=[[-17.85,-0.683955,-0.400761,-0.159134],[24.1537,0.285988,0.160091,0.0563805],[0.0310371,0.160095,0.0888771,0.0305299],[-0.0711639,0.128485,0.0704258,0.0235133],[-0.0852392,0.0215008,0.0165713,0.0100964],[-0.0614117,-0.0224893,-0.00905632,0.000158967]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.73
S298 (cal/mol*K) = 43.32
G298 (kcal/mol) = 59.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(241); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(241)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.785e+01 -6.840e-01 -4.008e-01 -1.591e-01 / CHEB/ 2.415e+01 2.860e-01 1.601e-01 5.638e-02 / CHEB/ 3.104e-02 1.601e-01 8.888e-02 3.053e-02 / CHEB/ -7.116e-02 1.285e-01 7.043e-02 2.351e-02 / CHEB/ -8.524e-02 2.150e-02 1.657e-02 1.010e-02 / CHEB/ -6.141e-02 -2.249e-02 -9.056e-03 1.590e-04 /

5472.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-12.4	-5.6	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-12.7	-5.7	-2.5

Chebyshev(coeffs=[[-26.6855,-0.415379,-0.260786,-0.119902],[30.5283,0.155591,0.0964323,0.0430435],[-0.123232,0.107715,0.0639296,0.0259703],[-0.117809,0.089233,0.0534854,0.0222325],[-0.0876576,0.0127942,0.0101486,0.00659936],[-0.0555336,-0.0167738,-0.00843924,-0.00195532]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.26
S298 (cal/mol*K) = 48.06
G298 (kcal/mol) = 81.94

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(906); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(906)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.669e+01 -4.154e-01 -2.608e-01 -1.199e-01 / CHEB/ 3.053e+01 1.556e-01 9.643e-02 4.304e-02 / CHEB/ -1.232e-01 1.077e-01 6.393e-02 2.597e-02 / CHEB/ -1.178e-01 8.923e-02 5.349e-02 2.223e-02 / CHEB/ -8.766e-02 1.279e-02 1.015e-02 6.599e-03 / CHEB/ -5.553e-02 -1.677e-02 -8.439e-03 -1.955e-03 /

5473.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-12.4	-5.6	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-12.7	-5.7	-2.5

H298 (kcal/mol) = 96.26
S298 (cal/mol*K) = 48.06
G298 (kcal/mol) = 81.94

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(905); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(905)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.669e+01 -4.154e-01 -2.608e-01 -1.199e-01 / CHEB/ 3.053e+01 1.556e-01 9.643e-02 4.304e-02 / CHEB/ -1.232e-01 1.077e-01 6.393e-02 2.597e-02 / CHEB/ -1.178e-01 8.923e-02 5.349e-02 2.223e-02 / CHEB/ -8.766e-02 1.279e-02 1.015e-02 6.599e-03 / CHEB/ -5.553e-02 -1.677e-02 -8.439e-03 -1.955e-03 /

5474.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-11.9	-4.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-12.1	-5.0	-1.7

Chebyshev(coeffs=[[-26.586,-0.3956,-0.24962,-0.115931],[31.2339,0.147174,0.0918306,0.0415738],[-0.110255,0.103341,0.0617215,0.025438],[-0.11504,0.0858062,0.0517914,0.0218669],[-0.0861688,0.0120935,0.00960719,0.00627016],[-0.0543766,-0.0162581,-0.00831372,-0.00207043]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.46
S298 (cal/mol*K) = 47.64
G298 (kcal/mol) = 84.27

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(181); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.659e+01 -3.956e-01 -2.496e-01 -1.159e-01 / CHEB/ 3.123e+01 1.472e-01 9.183e-02 4.157e-02 / CHEB/ -1.103e-01 1.033e-01 6.172e-02 2.544e-02 / CHEB/ -1.150e-01 8.581e-02 5.179e-02 2.187e-02 / CHEB/ -8.617e-02 1.209e-02 9.607e-03 6.270e-03 / CHEB/ -5.438e-02 -1.626e-02 -8.314e-03 -2.070e-03 /

5475.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-11.9	-4.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-12.1	-5.0	-1.7

H298 (kcal/mol) = 98.46
S298 (cal/mol*K) = 47.64
G298 (kcal/mol) = 84.27

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(412); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(412)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.659e+01 -3.956e-01 -2.496e-01 -1.159e-01 / CHEB/ 3.123e+01 1.472e-01 9.183e-02 4.157e-02 / CHEB/ -1.103e-01 1.033e-01 6.172e-02 2.544e-02 / CHEB/ -1.150e-01 8.581e-02 5.179e-02 2.187e-02 / CHEB/ -8.617e-02 1.209e-02 9.607e-03 6.270e-03 / CHEB/ -5.438e-02 -1.626e-02 -8.314e-03 -2.070e-03 /

5476.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.4	-13.4	-6.5	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-35.7	-13.6	-6.5	-3.3

Chebyshev(coeffs=[[-27.9196,-0.400886,-0.252527,-0.116885],[30.9775,0.153934,0.0957276,0.0430383],[-0.0882211,0.104465,0.0623568,0.0256705],[-0.103681,0.0857633,0.0517224,0.0218002],[-0.0778158,0.0113897,0.00925563,0.00618871],[-0.0523253,-0.0167182,-0.00855201,-0.00213528]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.46
S298 (cal/mol*K) = 44.71
G298 (kcal/mol) = 84.14

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(919); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(919)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.792e+01 -4.009e-01 -2.525e-01 -1.169e-01 / CHEB/ 3.098e+01 1.539e-01 9.573e-02 4.304e-02 / CHEB/ -8.822e-02 1.045e-01 6.236e-02 2.567e-02 / CHEB/ -1.037e-01 8.576e-02 5.172e-02 2.180e-02 / CHEB/ -7.782e-02 1.139e-02 9.256e-03 6.189e-03 / CHEB/ -5.233e-02 -1.672e-02 -8.552e-03 -2.135e-03 /

5477.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	+0.1	+2.9	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-0.2	+2.8	+4.2

Chebyshev(coeffs=[[-1.4118,-0.800898,-0.355898,-0.067322],[11.2976,0.497872,0.183391,0.00289673],[0.310287,0.10019,0.0523104,0.0154449],[0.0475151,0.0854904,0.0379922,0.00688373],[-0.0197056,0.0328803,0.0190808,0.00625495],[-0.0290399,-0.00662391,0.00109363,0.00339806]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.98
S298 (cal/mol*K) = 32.96
G298 (kcal/mol) = 18.16

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(238); H(25), H(25); C7H10(1)+H(25)(+M)=>C7H10(238)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.412e+00 -8.009e-01 -3.559e-01 -6.732e-02 / CHEB/ 1.130e+01 4.979e-01 1.834e-01 2.897e-03 / CHEB/ 3.103e-01 1.002e-01 5.231e-02 1.544e-02 / CHEB/ 4.752e-02 8.549e-02 3.799e-02 6.884e-03 / CHEB/ -1.971e-02 3.288e-02 1.908e-02 6.255e-03 / CHEB/ -2.904e-02 -6.624e-03 1.094e-03 3.398e-03 /

5478.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+1.5	+3.7	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+1.0	+3.4	+4.6

Chebyshev(coeffs=[[1.2425,-1.02006,-0.393458,-0.041738],[9.09083,0.653584,0.184948,-0.0296668],[0.275475,0.126979,0.0716967,0.016984],[0.0173087,0.0865183,0.0354785,0.00780463],[-0.0412007,0.0375823,0.0189319,0.00481068],[-0.0404993,-0.00460136,0.00315203,0.00355927]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.10
S298 (cal/mol*K) = 44.56
G298 (kcal/mol) = 3.82

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(158); H(25), C2H4(115); C7H10(1)+H(25)(+M)=>C2H4(115)+C5H7(158)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.243e+00 -1.020e+00 -3.935e-01 -4.174e-02 / CHEB/ 9.091e+00 6.536e-01 1.849e-01 -2.967e-02 / CHEB/ 2.755e-01 1.270e-01 7.170e-02 1.698e-02 / CHEB/ 1.731e-02 8.652e-02 3.548e-02 7.805e-03 / CHEB/ -4.120e-02 3.758e-02 1.893e-02 4.811e-03 / CHEB/ -4.050e-02 -4.601e-03 3.152e-03 3.559e-03 /

5479.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+0.6	+2.3	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-0.3	+2.1	+3.4

Chebyshev(coeffs=[[1.94191,-2.85037,-0.803519,-0.033086],[6.68789,2.43493,0.444389,-0.0640582],[0.502523,0.342434,0.279306,0.0467288],[0.139962,0.0564095,0.0494864,0.0127806],[0.0488451,-0.0296194,-0.0219657,-0.00292843],[0.00907371,-0.0510285,-0.0212836,-0.000674408]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.93
S298 (cal/mol*K) = 12.35
G298 (kcal/mol) = -11.61

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(556); H(25), C7H11(556); C7H10(1)+H(25)(+M)=>C7H11(556)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.942e+00 -2.850e+00 -8.035e-01 -3.309e-02 / CHEB/ 6.688e+00 2.435e+00 4.444e-01 -6.406e-02 / CHEB/ 5.025e-01 3.424e-01 2.793e-01 4.673e-02 / CHEB/ 1.400e-01 5.641e-02 4.949e-02 1.278e-02 / CHEB/ 4.885e-02 -2.962e-02 -2.197e-02 -2.928e-03 / CHEB/ 9.074e-03 -5.103e-02 -2.128e-02 -6.744e-04 /

5480.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-1.2	+1.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-1.6	+1.4	+2.8

Chebyshev(coeffs=[[-1.36149,-1.96167,-0.286464,0.00486372],[9.24442,2.09687,0.146696,-0.0895167],[0.984932,-0.242015,-0.0208074,0.0172721],[0.0261478,-0.102181,0.0622661,0.0463017],[-0.0494753,0.111376,0.0647419,-0.00783524],[-0.0499142,0.0271722,-0.0215841,-0.0138066]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.93
S298 (cal/mol*K) = 11.66
G298 (kcal/mol) = -11.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(433); H(25), C7H11(433); C7H10(1)+H(25)(+M)=>C7H11(433)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.361e+00 -1.962e+00 -2.865e-01 4.864e-03 / CHEB/ 9.244e+00 2.097e+00 1.467e-01 -8.952e-02 / CHEB/ 9.849e-01 -2.420e-01 -2.081e-02 1.727e-02 / CHEB/ 2.615e-02 -1.022e-01 6.227e-02 4.630e-02 / CHEB/ -4.948e-02 1.114e-01 6.474e-02 -7.835e-03 / CHEB/ -4.991e-02 2.717e-02 -2.158e-02 -1.381e-02 /

5481.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+2.0	+3.3	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+1.4	+3.0	+3.7

Chebyshev(coeffs=[[4.3462,-1.80311,-0.27597,0.0267501],[5.08829,1.38715,-0.06225,-0.0912291],[0.357042,0.125052,0.159618,-0.0111533],[0.0189535,0.0652695,0.0490207,0.0180103],[-0.0410151,0.046601,0.0112084,0.00803894],[-0.0456168,-0.00286739,0.00437939,0.00327508]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.18
S298 (cal/mol*K) = 3.41
G298 (kcal/mol) = -16.19

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(789); H(25), C7H11(789); C7H10(1)+H(25)(+M)=>C7H11(789)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.346e+00 -1.803e+00 -2.760e-01 2.675e-02 / CHEB/ 5.088e+00 1.387e+00 -6.225e-02 -9.123e-02 / CHEB/ 3.570e-01 1.251e-01 1.596e-01 -1.115e-02 / CHEB/ 1.895e-02 6.527e-02 4.902e-02 1.801e-02 / CHEB/ -4.102e-02 4.660e-02 1.121e-02 8.039e-03 / CHEB/ -4.562e-02 -2.867e-03 4.379e-03 3.275e-03 /

5482.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-2.4	-0.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-2.9	-0.3	+0.9

Chebyshev(coeffs=[[-2.68111,-1.01221,-0.389542,-0.0413965],[9.20826,0.668185,0.188311,-0.0299867],[0.340014,0.120101,0.0719127,0.0186506],[0.0399103,0.0832036,0.034669,0.00817201],[-0.0277845,0.036358,0.0185713,0.00481934],[-0.0354823,-0.00504514,0.00288528,0.00353101]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.12
S298 (cal/mol*K) = 9.03
G298 (kcal/mol) = 3.43

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(732); H(25), C7H11(732); C7H10(1)+H(25)(+M)=>C7H11(732)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.681e+00 -1.012e+00 -3.895e-01 -4.140e-02 / CHEB/ 9.208e+00 6.682e-01 1.883e-01 -2.999e-02 / CHEB/ 3.400e-01 1.201e-01 7.191e-02 1.865e-02 / CHEB/ 3.991e-02 8.320e-02 3.467e-02 8.172e-03 / CHEB/ -2.778e-02 3.636e-02 1.857e-02 4.819e-03 / CHEB/ -3.548e-02 -5.045e-03 2.885e-03 3.531e-03 /

5483.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.7	-6.1	-0.8	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-22.8	-6.2	-0.8	+1.7

Chebyshev(coeffs=[[-15.4888,-0.164363,-0.0971219,-0.0398477],[23.4429,0.0323359,0.017685,0.00608877],[-0.142575,0.0472995,0.0230598,0.00497584],[-0.0697184,0.0442579,0.0255299,0.00984174],[-0.036413,0.0136944,0.0105553,0.00636289],[-0.0196651,-0.0039595,-0.000585691,0.00125404]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.27
S298 (cal/mol*K) = 47.79
G298 (kcal/mol) = 60.03

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H5(156); H(25), C3H6(276); C7H10(1)+H(25)(+M)=>C4H5(156)+C3H6(276)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.549e+01 -1.644e-01 -9.712e-02 -3.985e-02 / CHEB/ 2.344e+01 3.234e-02 1.768e-02 6.089e-03 / CHEB/ -1.426e-01 4.730e-02 2.306e-02 4.976e-03 / CHEB/ -6.972e-02 4.426e-02 2.553e-02 9.842e-03 / CHEB/ -3.641e-02 1.369e-02 1.056e-02 6.363e-03 / CHEB/ -1.967e-02 -3.960e-03 -5.857e-04 1.254e-03 /

5484.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.1	-9.3	-3.5	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-9.4	-3.5	-0.6

Chebyshev(coeffs=[[-19.6712,-0.154965,-0.0920679,-0.0381329],[25.0418,0.0299906,0.0164234,0.00559199],[0.0528761,0.0453502,0.0223481,0.00503109],[-0.0124113,0.04158,0.0241975,0.00952095],[-0.0172314,0.0125226,0.00983923,0.00609784],[-0.012586,-0.00385338,-0.000628052,0.00117047]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.12
S298 (cal/mol*K) = 34.37
G298 (kcal/mol) = 67.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(169); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.967e+01 -1.550e-01 -9.207e-02 -3.813e-02 / CHEB/ 2.504e+01 2.999e-02 1.642e-02 5.592e-03 / CHEB/ 5.288e-02 4.535e-02 2.235e-02 5.031e-03 / CHEB/ -1.241e-02 4.158e-02 2.420e-02 9.521e-03 / CHEB/ -1.723e-02 1.252e-02 9.839e-03 6.098e-03 / CHEB/ -1.259e-02 -3.853e-03 -6.281e-04 1.170e-03 /

5485.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.3	-6.9	-1.0	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-25.4	-7.0	-1.1	+1.8

Chebyshev(coeffs=[[-17.9022,-0.136497,-0.0821425,-0.0348376],[25.9072,0.0258048,0.0142574,0.00485999],[-0.102702,0.0411598,0.0208283,0.00519344],[-0.0587067,0.036227,0.0214677,0.00879485],[-0.0322641,0.0102364,0.008349,0.00545104],[-0.0172806,-0.0036248,-0.000729383,0.000965991]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.18
S298 (cal/mol*K) = 54.01
G298 (kcal/mol) = 66.08

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(158); H(25), C2H4(72); C7H10(1)+H(25)(+M)=>C5H7(158)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.790e+01 -1.365e-01 -8.214e-02 -3.484e-02 / CHEB/ 2.591e+01 2.580e-02 1.426e-02 4.860e-03 / CHEB/ -1.027e-01 4.116e-02 2.083e-02 5.193e-03 / CHEB/ -5.871e-02 3.623e-02 2.147e-02 8.795e-03 / CHEB/ -3.226e-02 1.024e-02 8.349e-03 5.451e-03 / CHEB/ -1.728e-02 -3.625e-03 -7.294e-04 9.660e-04 /

5486.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.5	-11.6	-4.7	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-32.6	-11.7	-4.7	-1.3

Chebyshev(coeffs=[[-24.8408,-0.106626,-0.0659426,-0.0294949],[29.5431,0.0197452,0.0112939,0.00415179],[0.00958015,0.0333512,0.0178904,0.00546058],[-0.0266701,0.0275857,0.0168766,0.00739168],[-0.0213608,0.0067798,0.00583361,0.00409433],[-0.0125423,-0.00318054,-0.000918842,0.000533906]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.17
S298 (cal/mol*K) = 42.50
G298 (kcal/mol) = 80.51

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(58); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.484e+01 -1.066e-01 -6.594e-02 -2.949e-02 / CHEB/ 2.954e+01 1.975e-02 1.129e-02 4.152e-03 / CHEB/ 9.580e-03 3.335e-02 1.789e-02 5.461e-03 / CHEB/ -2.667e-02 2.759e-02 1.688e-02 7.392e-03 / CHEB/ -2.136e-02 6.780e-03 5.834e-03 4.094e-03 / CHEB/ -1.254e-02 -3.181e-03 -9.188e-04 5.339e-04 /

5487.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.1	-11.5	-4.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-31.2	-11.6	-5.0	-1.7

Chebyshev(coeffs=[[-23.5453,-0.122806,-0.0747309,-0.0323832],[27.8141,0.0240625,0.0134935,0.00474312],[0.0478904,0.0378826,0.0196613,0.00537701],[0.00651257,0.0319948,0.0192589,0.00815937],[0.0080347,0.00826017,0.00701655,0.00481192],[-0.00417846,-0.0035908,-0.000912061,0.000738431]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.92
S298 (cal/mol*K) = 34.25
G298 (kcal/mol) = 75.72

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(55); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.355e+01 -1.228e-01 -7.473e-02 -3.238e-02 / CHEB/ 2.781e+01 2.406e-02 1.349e-02 4.743e-03 / CHEB/ 4.789e-02 3.788e-02 1.966e-02 5.377e-03 / CHEB/ 6.513e-03 3.199e-02 1.926e-02 8.159e-03 / CHEB/ 8.035e-03 8.260e-03 7.017e-03 4.812e-03 / CHEB/ -4.178e-03 -3.591e-03 -9.121e-04 7.384e-04 /

5488.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-9.6	-3.2	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-29.1	-9.7	-3.3	-0.1

Chebyshev(coeffs=[[-21.5073,-0.147051,-0.0883563,-0.0371753],[27.4207,0.0321806,0.0177319,0.00589468],[0.00378118,0.0454666,0.0235807,0.00638922],[-0.0266301,0.0356006,0.0209522,0.00843319],[-0.0233852,0.00844071,0.00725063,0.00503578],[-0.0154613,-0.00429015,-0.00106058,0.000929067]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.30
S298 (cal/mol*K) = 44.05
G298 (kcal/mol) = 73.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(168); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.151e+01 -1.471e-01 -8.836e-02 -3.718e-02 / CHEB/ 2.742e+01 3.218e-02 1.773e-02 5.895e-03 / CHEB/ 3.781e-03 4.547e-02 2.358e-02 6.389e-03 / CHEB/ -2.663e-02 3.560e-02 2.095e-02 8.433e-03 / CHEB/ -2.339e-02 8.441e-03 7.251e-03 5.036e-03 / CHEB/ -1.546e-02 -4.290e-03 -1.061e-03 9.291e-04 /

5489.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.6	-15.5	-7.5	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-39.6	-15.5	-7.5	-3.6

Chebyshev(coeffs=[[-31.5567,-0.0761536,-0.0487776,-0.0233554],[33.9754,0.0134832,0.00814313,0.00341601],[0.0402393,0.0243017,0.0140576,0.00532742],[-0.0185584,0.0191842,0.0121686,0.00572263],[-0.0183638,0.00387476,0.00343341,0.00252011],[-0.0106349,-0.00257869,-0.00104508,5.52094e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.22
S298 (cal/mol*K) = 39.87
G298 (kcal/mol) = 95.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(172); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.156e+01 -7.615e-02 -4.878e-02 -2.336e-02 / CHEB/ 3.398e+01 1.348e-02 8.143e-03 3.416e-03 / CHEB/ 4.024e-02 2.430e-02 1.406e-02 5.327e-03 / CHEB/ -1.856e-02 1.918e-02 1.217e-02 5.723e-03 / CHEB/ -1.836e-02 3.875e-03 3.433e-03 2.520e-03 / CHEB/ -1.063e-02 -2.579e-03 -1.045e-03 5.521e-05 /

5490.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.6	-15.5	-7.5	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-39.6	-15.5	-7.5	-3.6

H298 (kcal/mol) = 107.22
S298 (cal/mol*K) = 39.87
G298 (kcal/mol) = 95.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(177); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.156e+01 -7.615e-02 -4.878e-02 -2.336e-02 / CHEB/ 3.398e+01 1.348e-02 8.143e-03 3.416e-03 / CHEB/ 4.024e-02 2.430e-02 1.406e-02 5.327e-03 / CHEB/ -1.856e-02 1.918e-02 1.217e-02 5.723e-03 / CHEB/ -1.836e-02 3.875e-03 3.433e-03 2.520e-03 / CHEB/ -1.063e-02 -2.579e-03 -1.045e-03 5.521e-05 /

5491.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.9	-12.1	-4.6	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-34.9	-12.2	-4.7	-1.0

Chebyshev(coeffs=[[-27.0415,-0.0858557,-0.0543512,-0.0254448],[32.1601,0.015563,0.00922868,0.00370696],[-0.023882,0.027272,0.0153828,0.00545003],[-0.0372069,0.0217924,0.0136597,0.00627802],[-0.0246555,0.00471016,0.00415371,0.0030198],[-0.0131141,-0.00279291,-0.00102313,0.000200717]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.21
S298 (cal/mol*K) = 47.85
G298 (kcal/mol) = 78.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(790); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(790)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.704e+01 -8.586e-02 -5.435e-02 -2.544e-02 / CHEB/ 3.216e+01 1.556e-02 9.229e-03 3.707e-03 / CHEB/ -2.388e-02 2.727e-02 1.538e-02 5.450e-03 / CHEB/ -3.721e-02 2.179e-02 1.366e-02 6.278e-03 / CHEB/ -2.466e-02 4.710e-03 4.154e-03 3.020e-03 / CHEB/ -1.311e-02 -2.793e-03 -1.023e-03 2.007e-04 /

5492.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.2	-15.6	-7.7	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-39.3	-15.6	-7.7	-3.8

Chebyshev(coeffs=[[-31.2465,-0.0798215,-0.0508747,-0.02413],[33.3698,0.0153169,0.00920294,0.00381654],[0.0881967,0.0255479,0.0146495,0.00542749],[0.0016751,0.0199471,0.012616,0.00590135],[-0.00670318,0.00392478,0.00354948,0.00264773],[-0.00722966,-0.00277965,-0.00111908,6.64409e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 104.92
S298 (cal/mol*K) = 36.83
G298 (kcal/mol) = 93.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(791); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(791)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.125e+01 -7.982e-02 -5.087e-02 -2.413e-02 / CHEB/ 3.337e+01 1.532e-02 9.203e-03 3.817e-03 / CHEB/ 8.820e-02 2.555e-02 1.465e-02 5.427e-03 / CHEB/ 1.675e-03 1.995e-02 1.262e-02 5.901e-03 / CHEB/ -6.703e-03 3.925e-03 3.549e-03 2.648e-03 / CHEB/ -7.230e-03 -2.780e-03 -1.119e-03 6.644e-05 /

5493.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+1.5	+2.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-2.1	+1.0	+2.7	+3.7

Chebyshev(coeffs=[[5.24379,-1.35539,-0.455288,-0.0428422],[3.35978,1.00062,0.194517,-0.0509561],[0.8293,0.199768,0.146908,0.0276352],[0.185918,0.0613875,0.0466577,0.0239381],[0.028089,0.018428,0.00737743,0.00727691],[-0.0129928,-0.00868244,0.000167125,0.00233784]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.40
S298 (cal/mol*K) = -11.53
G298 (kcal/mol) = -20.97

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(668); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(668)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.244e+00 -1.355e+00 -4.553e-01 -4.284e-02 / CHEB/ 3.360e+00 1.001e+00 1.945e-01 -5.096e-02 / CHEB/ 8.293e-01 1.998e-01 1.469e-01 2.764e-02 / CHEB/ 1.859e-01 6.139e-02 4.666e-02 2.394e-02 / CHEB/ 2.809e-02 1.843e-02 7.377e-03 7.277e-03 / CHEB/ -1.299e-02 -8.682e-03 1.671e-04 2.338e-03 /

5494.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.0	+2.0	+3.1	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+1.5	+2.9	+3.7

Chebyshev(coeffs=[[6.15955,-1.40594,-0.462503,-0.039396],[2.65085,0.994261,0.181452,-0.0538087],[0.665182,0.225565,0.149031,0.0221327],[0.163123,0.074625,0.0522064,0.0229431],[0.0264206,0.0213738,0.00972226,0.0082538],[-0.0136531,-0.00838323,0.000851431,0.00295429]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.68
S298 (cal/mol*K) = -34.55
G298 (kcal/mol) = -51.38

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(669); H(25), C7H11(669); C7H10(18)+H(25)(+M)=>C7H11(669)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.160e+00 -1.406e+00 -4.625e-01 -3.940e-02 / CHEB/ 2.651e+00 9.943e-01 1.815e-01 -5.381e-02 / CHEB/ 6.652e-01 2.256e-01 1.490e-01 2.213e-02 / CHEB/ 1.631e-01 7.463e-02 5.221e-02 2.294e-02 / CHEB/ 2.642e-02 2.137e-02 9.722e-03 8.254e-03 / CHEB/ -1.365e-02 -8.383e-03 8.514e-04 2.954e-03 /

5495.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+0.5	+1.7	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-2.9	-0.0	+1.5	+2.4

Chebyshev(coeffs=[[4.38088,-1.37314,-0.458671,-0.0420082],[3.07902,0.995123,0.188904,-0.0522495],[0.743371,0.206961,0.147,0.0256053],[0.169677,0.0662402,0.0484712,0.0234414],[0.0294221,0.0202047,0.00839502,0.00753694],[-0.0130958,-0.00801639,0.000638858,0.00256216]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.68
S298 (cal/mol*K) = -34.55
G298 (kcal/mol) = -51.38

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(670); H(25), C7H11(670); C7H10(18)+H(25)(+M)=>C7H11(670)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.381e+00 -1.373e+00 -4.587e-01 -4.201e-02 / CHEB/ 3.079e+00 9.951e-01 1.889e-01 -5.225e-02 / CHEB/ 7.434e-01 2.070e-01 1.470e-01 2.561e-02 / CHEB/ 1.697e-01 6.624e-02 4.847e-02 2.344e-02 / CHEB/ 2.942e-02 2.020e-02 8.395e-03 7.537e-03 / CHEB/ -1.310e-02 -8.016e-03 6.389e-04 2.562e-03 /

5496.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+3.3	+3.7	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.6	+3.4	+3.8

Chebyshev(coeffs=[[8.02153,-1.49647,-0.478503,-0.0342825],[1.38293,0.952074,0.153045,-0.0577109],[0.270418,0.259997,0.14592,0.011584],[0.0709445,0.105378,0.0598675,0.0184377],[0.010019,0.0343448,0.0153669,0.00849639],[-0.0180503,-0.00449806,0.00366261,0.00396042]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -87.28
S298 (cal/mol*K) = -40.05
G298 (kcal/mol) = -75.35

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(671); H(25), C7H11(671); C7H10(18)+H(25)(+M)=>C7H11(671)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.022e+00 -1.496e+00 -4.785e-01 -3.428e-02 / CHEB/ 1.383e+00 9.521e-01 1.530e-01 -5.771e-02 / CHEB/ 2.704e-01 2.600e-01 1.459e-01 1.158e-02 / CHEB/ 7.094e-02 1.054e-01 5.987e-02 1.844e-02 / CHEB/ 1.002e-02 3.434e-02 1.537e-02 8.496e-03 / CHEB/ -1.805e-02 -4.498e-03 3.663e-03 3.960e-03 /

5497.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+3.3	+3.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+2.6	+3.4	+3.8

Chebyshev(coeffs=[[7.98906,-1.49277,-0.47784,-0.0344988],[1.44605,0.954325,0.154241,-0.0576159],[0.281687,0.258866,0.146157,0.0119956],[0.0763845,0.103926,0.0595992,0.018673],[0.0144574,0.0335109,0.0151021,0.00853757],[-0.0166123,-0.00477586,0.00351374,0.0039329]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -74.18
S298 (cal/mol*K) = -31.12
G298 (kcal/mol) = -64.91

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(672); H(25), C7H11(672); C7H10(18)+H(25)(+M)=>C7H11(672)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.989e+00 -1.493e+00 -4.778e-01 -3.450e-02 / CHEB/ 1.446e+00 9.543e-01 1.542e-01 -5.762e-02 / CHEB/ 2.817e-01 2.589e-01 1.462e-01 1.200e-02 / CHEB/ 7.638e-02 1.039e-01 5.960e-02 1.867e-02 / CHEB/ 1.446e-02 3.351e-02 1.510e-02 8.538e-03 / CHEB/ -1.661e-02 -4.776e-03 3.514e-03 3.933e-03 /

5498.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+2.0	+2.5	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+1.4	+2.2	+2.7

Chebyshev(coeffs=[[6.71784,-1.48795,-0.476591,-0.0345916],[1.52635,0.958761,0.156374,-0.0573124],[0.316846,0.258764,0.146968,0.0126044],[0.0845514,0.102614,0.0595468,0.0190631],[0.0129526,0.0324966,0.0148353,0.00865549],[-0.0167952,-0.00536812,0.00327118,0.00393357]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.58
S298 (cal/mol*K) = -32.64
G298 (kcal/mol) = -59.85

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(673); H(25), C7H11(673); C7H10(18)+H(25)(+M)=>C7H11(673)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.718e+00 -1.488e+00 -4.766e-01 -3.459e-02 / CHEB/ 1.526e+00 9.588e-01 1.564e-01 -5.731e-02 / CHEB/ 3.168e-01 2.588e-01 1.470e-01 1.260e-02 / CHEB/ 8.455e-02 1.026e-01 5.955e-02 1.906e-02 / CHEB/ 1.295e-02 3.250e-02 1.484e-02 8.655e-03 / CHEB/ -1.680e-02 -5.368e-03 3.271e-03 3.934e-03 /

5499.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-0.7	+1.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-1.0	+1.4	+2.6

Chebyshev(coeffs=[[0.797073,-0.973722,-0.417526,-0.0777204],[6.94173,0.76169,0.247685,-0.00686879],[0.718723,0.112452,0.100571,0.0421854],[0.151239,0.0428104,0.0277369,0.0167632],[0.00617919,0.015707,0.0066845,0.00319889],[-0.0202562,-0.00884216,-0.00104387,0.0016113]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.48
S298 (cal/mol*K) = 7.41
G298 (kcal/mol) = 11.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(674); H(25), CH3(423); C7H10(18)+H(25)(+M)=>CH3(423)+C6H8(674)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.971e-01 -9.737e-01 -4.175e-01 -7.772e-02 / CHEB/ 6.942e+00 7.617e-01 2.477e-01 -6.869e-03 / CHEB/ 7.187e-01 1.125e-01 1.006e-01 4.219e-02 / CHEB/ 1.512e-01 4.281e-02 2.774e-02 1.676e-02 / CHEB/ 6.179e-03 1.571e-02 6.684e-03 3.199e-03 / CHEB/ -2.026e-02 -8.842e-03 -1.044e-03 1.611e-03 /

5500.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-3.4	-0.9	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-3.7	-1.0	+0.4

Chebyshev(coeffs=[[-2.28704,-0.982314,-0.418844,-0.0768844],[7.60091,0.769026,0.247478,-0.00815416],[0.891573,0.113137,0.101632,0.0422455],[0.199826,0.0428356,0.0278719,0.0169458],[0.0223513,0.0157916,0.00664661,0.00322207],[-0.0145066,-0.00882793,-0.00100125,0.00161474]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.02
S298 (cal/mol*K) = -4.08
G298 (kcal/mol) = 15.23

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(675); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(675)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.287e+00 -9.823e-01 -4.188e-01 -7.688e-02 / CHEB/ 7.601e+00 7.690e-01 2.475e-01 -8.154e-03 / CHEB/ 8.916e-01 1.131e-01 1.016e-01 4.225e-02 / CHEB/ 1.998e-01 4.284e-02 2.787e-02 1.695e-02 / CHEB/ 2.235e-02 1.579e-02 6.647e-03 3.222e-03 / CHEB/ -1.451e-02 -8.828e-03 -1.001e-03 1.615e-03 /

5501.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-0.9	+1.9	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-1.2	+1.7	+3.3

Chebyshev(coeffs=[[-0.279134,-0.925347,-0.409354,-0.0823217],[8.47069,0.720162,0.24784,0.000365178],[0.899149,0.108544,0.0946986,0.0416814],[0.217106,0.042832,0.0270822,0.0157503],[0.02784,0.0152516,0.00689139,0.00309269],[-0.0129479,-0.00893058,-0.00128675,0.00158995]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.13
S298 (cal/mol*K) = 11.08
G298 (kcal/mol) = 14.83

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H7(676); H(25), C3H4(73); C7H10(18)+H(25)(+M)=>C3H4(73)+C4H7(676)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.791e-01 -9.253e-01 -4.094e-01 -8.232e-02 / CHEB/ 8.471e+00 7.202e-01 2.478e-01 3.652e-04 / CHEB/ 8.991e-01 1.085e-01 9.470e-02 4.168e-02 / CHEB/ 2.171e-01 4.283e-02 2.708e-02 1.575e-02 / CHEB/ 2.784e-02 1.525e-02 6.891e-03 3.093e-03 / CHEB/ -1.295e-02 -8.931e-03 -1.287e-03 1.590e-03 /

5502.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-2.0	-0.0	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-2.4	-0.2	+1.1

Chebyshev(coeffs=[[0.430074,-1.19535,-0.441138,-0.0563612],[5.44284,0.936626,0.22553,-0.0371526],[1.01448,0.137152,0.129342,0.039314],[0.190726,0.0475608,0.0339286,0.0216512],[0.0254176,0.0177803,0.00595017,0.00444742],[-0.0132753,-0.00846869,-6.91826e-05,0.00173886]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.92
S298 (cal/mol*K) = -13.01
G298 (kcal/mol) = 4.80

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(677); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(677)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.301e-01 -1.195e+00 -4.411e-01 -5.636e-02 / CHEB/ 5.443e+00 9.366e-01 2.255e-01 -3.715e-02 / CHEB/ 1.014e+00 1.372e-01 1.293e-01 3.931e-02 / CHEB/ 1.907e-01 4.756e-02 3.393e-02 2.165e-02 / CHEB/ 2.542e-02 1.778e-02 5.950e-03 4.447e-03 / CHEB/ -1.328e-02 -8.469e-03 -6.918e-05 1.739e-03 /

5503.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-4.6	-1.6	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-4.9	-1.7	-0.0

Chebyshev(coeffs=[[-4.89675,-0.815242,-0.385873,-0.091715],[9.81131,0.624899,0.241876,0.0163048],[0.814858,0.0990832,0.081931,0.0395969],[0.218975,0.0435142,0.0261488,0.0135962],[0.0298732,0.0144123,0.00730114,0.00298793],[-0.0129278,-0.00914597,-0.00184116,0.00150854]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.52
S298 (cal/mol*K) = -4.81
G298 (kcal/mol) = 24.95

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(578); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(578)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.897e+00 -8.152e-01 -3.859e-01 -9.172e-02 / CHEB/ 9.811e+00 6.249e-01 2.419e-01 1.630e-02 / CHEB/ 8.149e-01 9.908e-02 8.193e-02 3.960e-02 / CHEB/ 2.190e-01 4.351e-02 2.615e-02 1.360e-02 / CHEB/ 2.987e-02 1.441e-02 7.301e-03 2.988e-03 / CHEB/ -1.293e-02 -9.146e-03 -1.841e-03 1.509e-03 /

5504.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-3.0	-0.1	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-3.3	-0.2	+1.5

Chebyshev(coeffs=[[-2.74382,-0.892735,-0.401937,-0.0845891],[9.00705,0.70001,0.248983,0.00502541],[0.94379,0.102675,0.0905892,0.0417285],[0.23812,0.0410958,0.0257997,0.0150373],[0.0383106,0.0141975,0.00655351,0.00287622],[-0.0097552,-0.00926732,-0.00161719,0.00147718]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.62
S298 (cal/mol*K) = -5.60
G298 (kcal/mol) = 20.29

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(638); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(638)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.744e+00 -8.927e-01 -4.019e-01 -8.459e-02 / CHEB/ 9.007e+00 7.000e-01 2.490e-01 5.025e-03 / CHEB/ 9.438e-01 1.027e-01 9.059e-02 4.173e-02 / CHEB/ 2.381e-01 4.110e-02 2.580e-02 1.504e-02 / CHEB/ 3.831e-02 1.420e-02 6.554e-03 2.876e-03 / CHEB/ -9.755e-03 -9.267e-03 -1.617e-03 1.477e-03 /

5505.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-5.1	-1.9	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-5.3	-2.0	-0.1

Chebyshev(coeffs=[[-5.87239,-0.76241,-0.372166,-0.0954425],[10.6843,0.579101,0.235981,0.0234053],[0.813424,0.0942095,0.0760896,0.0381696],[0.229879,0.0439552,0.0259022,0.0126737],[0.034823,0.0141074,0.00746524,0.00300111],[-0.0114073,-0.00922279,-0.00209729,0.00143973]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.52
S298 (cal/mol*K) = -7.51
G298 (kcal/mol) = 28.76

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(678); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(678)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.872e+00 -7.624e-01 -3.722e-01 -9.544e-02 / CHEB/ 1.068e+01 5.791e-01 2.360e-01 2.341e-02 / CHEB/ 8.134e-01 9.421e-02 7.609e-02 3.817e-02 / CHEB/ 2.299e-01 4.396e-02 2.590e-02 1.267e-02 / CHEB/ 3.482e-02 1.411e-02 7.465e-03 3.001e-03 / CHEB/ -1.141e-02 -9.223e-03 -2.097e-03 1.440e-03 /

5506.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-5.5	-2.2	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-13.8	-5.7	-2.3	-0.4

Chebyshev(coeffs=[[-6.30369,-0.764354,-0.372698,-0.0953161],[10.7476,0.58079,0.236233,0.0231523],[0.834699,0.094388,0.0763005,0.0382274],[0.235735,0.0439407,0.0259097,0.0127058],[0.0367102,0.0141175,0.00745961,0.00299995],[-0.0107368,-0.00922068,-0.00208812,0.00144272]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.52
S298 (cal/mol*K) = -7.51
G298 (kcal/mol) = 28.76

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(679); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(679)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.304e+00 -7.644e-01 -3.727e-01 -9.532e-02 / CHEB/ 1.075e+01 5.808e-01 2.362e-01 2.315e-02 / CHEB/ 8.347e-01 9.439e-02 7.630e-02 3.823e-02 / CHEB/ 2.357e-01 4.394e-02 2.591e-02 1.271e-02 / CHEB/ 3.671e-02 1.412e-02 7.460e-03 3.000e-03 / CHEB/ -1.074e-02 -9.221e-03 -2.088e-03 1.443e-03 /

5507.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	-0.5	+0.7	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-3.7	-1.0	+0.4	+1.3

Chebyshev(coeffs=[[3.562,-1.39341,-0.460999,-0.040388],[2.81946,0.995123,0.18434,-0.0532567],[0.7007,0.218369,0.148324,0.0234852],[0.164107,0.0711539,0.0507623,0.0231813],[0.0242137,0.0208599,0.00917319,0.00798358],[-0.01444,-0.00822106,0.000754013,0.00279068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.31
S298 (cal/mol*K) = -37.62
G298 (kcal/mol) = -45.10

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(680); H(25), C7H11(680); C7H10(18)+H(25)(+M)=>C7H11(680)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.562e+00 -1.393e+00 -4.610e-01 -4.039e-02 / CHEB/ 2.819e+00 9.951e-01 1.843e-01 -5.326e-02 / CHEB/ 7.007e-01 2.184e-01 1.483e-01 2.349e-02 / CHEB/ 1.641e-01 7.115e-02 5.076e-02 2.318e-02 / CHEB/ 2.421e-02 2.086e-02 9.173e-03 7.984e-03 / CHEB/ -1.444e-02 -8.221e-03 7.540e-04 2.791e-03 /

5508.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+1.7	+3.4	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+1.3	+3.2	+4.3

Chebyshev(coeffs=[[4.59979,-1.19892,-0.441415,-0.0560445],[4.6595,0.938898,0.224918,-0.037551],[0.849764,0.13792,0.129803,0.0391568],[0.142105,0.047711,0.034106,0.0217307],[0.00939969,0.0178129,0.00595052,0.00448511],[-0.0189262,-0.00845805,-5.64973e-05,0.00174314]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.00
S298 (cal/mol*K) = 7.31
G298 (kcal/mol) = -3.18

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(210); H(25), C2H4(681); C7H10(18)+H(25)(+M)=>C5H7(210)+C2H4(681)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.600e+00 -1.199e+00 -4.414e-01 -5.604e-02 / CHEB/ 4.660e+00 9.389e-01 2.249e-01 -3.755e-02 / CHEB/ 8.498e-01 1.379e-01 1.298e-01 3.916e-02 / CHEB/ 1.421e-01 4.771e-02 3.411e-02 2.173e-02 / CHEB/ 9.400e-03 1.781e-02 5.951e-03 4.485e-03 / CHEB/ -1.893e-02 -8.458e-03 -5.650e-05 1.743e-03 /

5509.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-3.7	-0.8	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-3.9	-0.8	+0.8

Chebyshev(coeffs=[[-4.18922,-0.357023,-0.182269,-0.0541913],[10.1402,0.193274,0.0816444,0.0129856],[0.672855,0.111124,0.0616738,0.0175728],[0.190632,0.0427108,0.0254839,0.0107173],[0.0120624,-0.00809423,-0.00191435,0.00233365],[-0.016275,-0.0142702,-0.00613274,-0.000640729]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.23
S298 (cal/mol*K) = 1.72
G298 (kcal/mol) = 26.72

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(682); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(682)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.189e+00 -3.570e-01 -1.823e-01 -5.419e-02 / CHEB/ 1.014e+01 1.933e-01 8.164e-02 1.299e-02 / CHEB/ 6.729e-01 1.111e-01 6.167e-02 1.757e-02 / CHEB/ 1.906e-01 4.271e-02 2.548e-02 1.072e-02 / CHEB/ 1.206e-02 -8.094e-03 -1.914e-03 2.334e-03 / CHEB/ -1.628e-02 -1.427e-02 -6.133e-03 -6.407e-04 /

5510.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-7.5	-3.1	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-19.7	-7.6	-3.2	-0.8

Chebyshev(coeffs=[[-12.3011,-0.389133,-0.231239,-0.0946391],[16.8436,0.259146,0.143699,0.049104],[0.455317,0.0562724,0.0392542,0.0212108],[0.173874,0.0424971,0.0246814,0.00969822],[0.0304454,0.0122039,0.00788165,0.00382239],[-0.0104241,-0.0076826,-0.00312089,0.000102353]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.95
S298 (cal/mol*K) = 3.08
G298 (kcal/mol) = 41.03

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(683); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>CH2(T)(82)+C6H9(683)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.230e+01 -3.891e-01 -2.312e-01 -9.464e-02 / CHEB/ 1.684e+01 2.591e-01 1.437e-01 4.910e-02 / CHEB/ 4.553e-01 5.627e-02 3.925e-02 2.121e-02 / CHEB/ 1.739e-01 4.250e-02 2.468e-02 9.698e-03 / CHEB/ 3.045e-02 1.220e-02 7.882e-03 3.822e-03 / CHEB/ -1.042e-02 -7.683e-03 -3.121e-03 1.024e-04 /

5511.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-4.5	-1.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-4.8	-1.4	+0.5

Chebyshev(coeffs=[[-4.84839,-0.826851,-0.385044,-0.0884056],[10.0151,0.661309,0.250227,0.0142728],[1.03346,0.0889431,0.0817191,0.0415147],[0.265258,0.0373096,0.0230324,0.0134597],[0.0446243,0.0124242,0.00590551,0.00239967],[-0.00736062,-0.00985505,-0.00226421,0.0012136]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.12
S298 (cal/mol*K) = -6.76
G298 (kcal/mol) = 24.13

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(684); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(684)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.848e+00 -8.269e-01 -3.850e-01 -8.841e-02 / CHEB/ 1.002e+01 6.613e-01 2.502e-01 1.427e-02 / CHEB/ 1.033e+00 8.894e-02 8.172e-02 4.151e-02 / CHEB/ 2.653e-01 3.731e-02 2.303e-02 1.346e-02 / CHEB/ 4.462e-02 1.242e-02 5.906e-03 2.400e-03 / CHEB/ -7.361e-03 -9.855e-03 -2.264e-03 1.214e-03 /

5512.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+1.2	+2.4	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-2.3	+0.6	+2.2	+3.1

Chebyshev(coeffs=[[5.0819,-1.37722,-0.458012,-0.0412047],[3.05608,1.00054,0.189394,-0.052207],[0.770245,0.211618,0.148325,0.0253552],[0.181754,0.0663626,0.049099,0.0237079],[0.0291495,0.0190816,0.00818983,0.00777061],[-0.0127147,-0.00879663,0.000314608,0.00257904]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.83
S298 (cal/mol*K) = -13.55
G298 (kcal/mol) = -23.80

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(685); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(685)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.082e+00 -1.377e+00 -4.580e-01 -4.120e-02 / CHEB/ 3.056e+00 1.001e+00 1.894e-01 -5.221e-02 / CHEB/ 7.702e-01 2.116e-01 1.483e-01 2.536e-02 / CHEB/ 1.818e-01 6.636e-02 4.910e-02 2.371e-02 / CHEB/ 2.915e-02 1.908e-02 8.190e-03 7.771e-03 / CHEB/ -1.271e-02 -8.797e-03 3.146e-04 2.579e-03 /

5513.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+2.9	+3.6	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+2.3	+3.4	+4.0

Chebyshev(coeffs=[[7.34084,-1.45561,-0.471689,-0.0368161],[2.02637,0.971907,0.16547,-0.0563883],[0.45879,0.244371,0.14753,0.0162775],[0.111751,0.0908452,0.0566167,0.0206459],[0.0147606,0.0281498,0.0128647,0.00851218],[-0.0173979,-0.00621667,0.00240384,0.00353872]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.49
S298 (cal/mol*K) = -30.29
G298 (kcal/mol) = -62.46

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(629); H(25), C7H11(629); C7H10(18)+H(25)(+M)=>C7H11(629)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.341e+00 -1.456e+00 -4.717e-01 -3.682e-02 / CHEB/ 2.026e+00 9.719e-01 1.655e-01 -5.639e-02 / CHEB/ 4.588e-01 2.444e-01 1.475e-01 1.628e-02 / CHEB/ 1.118e-01 9.085e-02 5.662e-02 2.065e-02 / CHEB/ 1.476e-02 2.815e-02 1.286e-02 8.512e-03 / CHEB/ -1.740e-02 -6.217e-03 2.404e-03 3.539e-03 /

5514.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	-0.2	+1.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-0.6	+1.3	+2.4

Chebyshev(coeffs=[[3.09824,-1.29988,-0.449857,-0.0474508],[4.13312,0.987909,0.20586,-0.0471659],[0.934575,0.171234,0.141618,0.0327206],[0.177179,0.0538938,0.0411319,0.0236098],[0.0148051,0.0186913,0.0064409,0.00600005],[-0.0167254,-0.00819451,0.000197963,0.00197642]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.99
S298 (cal/mol*K) = -33.72
G298 (kcal/mol) = -48.94

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(631); H(25), C7H11(631); C7H10(18)+H(25)(+M)=>C7H11(631)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.098e+00 -1.300e+00 -4.499e-01 -4.745e-02 / CHEB/ 4.133e+00 9.879e-01 2.059e-01 -4.717e-02 / CHEB/ 9.346e-01 1.712e-01 1.416e-01 3.272e-02 / CHEB/ 1.772e-01 5.389e-02 4.113e-02 2.361e-02 / CHEB/ 1.481e-02 1.869e-02 6.441e-03 6.000e-03 / CHEB/ -1.673e-02 -8.195e-03 1.980e-04 1.976e-03 /

5515.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+2.5	+3.3	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+1.9	+3.0	+3.6

Chebyshev(coeffs=[[6.91845,-1.44969,-0.470457,-0.0370656],[2.06573,0.975466,0.167593,-0.0560645],[0.482476,0.242707,0.147964,0.0170023],[0.112875,0.0889782,0.056231,0.02099],[0.00916873,0.0272585,0.0125057,0.00852841],[-0.0190618,-0.00659034,0.00218353,0.00348448]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.49
S298 (cal/mol*K) = -30.29
G298 (kcal/mol) = -62.46

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(628); H(25), C7H11(628); C7H10(18)+H(25)(+M)=>C7H11(628)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.918e+00 -1.450e+00 -4.705e-01 -3.707e-02 / CHEB/ 2.066e+00 9.755e-01 1.676e-01 -5.606e-02 / CHEB/ 4.825e-01 2.427e-01 1.480e-01 1.700e-02 / CHEB/ 1.129e-01 8.898e-02 5.623e-02 2.099e-02 / CHEB/ 9.169e-03 2.726e-02 1.251e-02 8.528e-03 / CHEB/ -1.906e-02 -6.590e-03 2.184e-03 3.484e-03 /

5516.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+1.3	+2.2	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+0.7	+1.9	+2.6

Chebyshev(coeffs=[[5.46551,-1.41935,-0.465863,-0.0390958],[2.43175,0.984734,0.17601,-0.05481],[0.580587,0.228446,0.14786,0.0204477],[0.133732,0.0791464,0.0532181,0.0221488],[0.0165228,0.0241025,0.0107861,0.00820798],[-0.0172658,-0.00713392,0.00152381,0.00310528]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.99
S298 (cal/mol*K) = -31.02
G298 (kcal/mol) = -52.75

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(630); H(25), C7H11(630); C7H10(18)+H(25)(+M)=>C7H11(630)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.466e+00 -1.419e+00 -4.659e-01 -3.910e-02 / CHEB/ 2.432e+00 9.847e-01 1.760e-01 -5.481e-02 / CHEB/ 5.806e-01 2.284e-01 1.479e-01 2.045e-02 / CHEB/ 1.337e-01 7.915e-02 5.322e-02 2.215e-02 / CHEB/ 1.652e-02 2.410e-02 1.079e-02 8.208e-03 / CHEB/ -1.727e-02 -7.134e-03 1.524e-03 3.105e-03 /

5517.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	-0.3	+1.1	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-4.1	-0.8	+0.9	+1.9

Chebyshev(coeffs=[[3.33988,-1.34658,-0.454919,-0.0437911],[3.47494,0.996719,0.195718,-0.0505217],[0.834299,0.193949,0.145694,0.0284208],[0.179632,0.0604706,0.0457138,0.0237937],[0.0257364,0.0191509,0.0073943,0.00700267],[-0.0139746,-0.00822712,0.000336948,0.00228595]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.79
S298 (cal/mol*K) = -34.14
G298 (kcal/mol) = -46.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(632); H(25), C7H11(632); C7H10(18)+H(25)(+M)=>C7H11(632)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.340e+00 -1.347e+00 -4.549e-01 -4.379e-02 / CHEB/ 3.475e+00 9.967e-01 1.957e-01 -5.052e-02 / CHEB/ 8.343e-01 1.939e-01 1.457e-01 2.842e-02 / CHEB/ 1.796e-01 6.047e-02 4.571e-02 2.379e-02 / CHEB/ 2.574e-02 1.915e-02 7.394e-03 7.003e-03 / CHEB/ -1.397e-02 -8.227e-03 3.369e-04 2.286e-03 /

5518.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+2.7	+3.2	+3.5
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+2.0	+2.9	+3.4

Chebyshev(coeffs=[[7.27939,-1.47812,-0.474725,-0.0351001],[1.65697,0.964731,0.159696,-0.0569414],[0.363149,0.255854,0.147672,0.0137583],[0.0972825,0.0991563,0.0589067,0.0196738],[0.0158225,0.0307362,0.0142092,0.00872361],[-0.016043,-0.00600889,0.00289798,0.0038514]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.89
S298 (cal/mol*K) = -31.81
G298 (kcal/mol) = -57.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(571); H(25), C7H11(571); C7H10(18)+H(25)(+M)=>C7H11(571)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.279e+00 -1.478e+00 -4.747e-01 -3.510e-02 / CHEB/ 1.657e+00 9.647e-01 1.597e-01 -5.694e-02 / CHEB/ 3.631e-01 2.559e-01 1.477e-01 1.376e-02 / CHEB/ 9.728e-02 9.916e-02 5.891e-02 1.967e-02 / CHEB/ 1.582e-02 3.074e-02 1.421e-02 8.724e-03 / CHEB/ -1.604e-02 -6.009e-03 2.898e-03 3.851e-03 /

5519.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.0	+1.7	+2.6	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+1.1	+2.3	+3.0

Chebyshev(coeffs=[[6.00941,-1.43019,-0.467555,-0.0384],[2.27121,0.98149,0.172943,-0.0553138],[0.537449,0.233429,0.147893,0.0192109],[0.125587,0.0824942,0.0542818,0.0217539],[0.0153906,0.0251559,0.0113817,0.00833056],[-0.0175738,-0.00692204,0.00175685,0.00323754]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.17
S298 (cal/mol*K) = -33.22
G298 (kcal/mol) = -62.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(686); H(25), C7H11(686); C7H10(18)+H(25)(+M)=>C7H11(686)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.009e+00 -1.430e+00 -4.676e-01 -3.840e-02 / CHEB/ 2.271e+00 9.815e-01 1.729e-01 -5.531e-02 / CHEB/ 5.374e-01 2.334e-01 1.479e-01 1.921e-02 / CHEB/ 1.256e-01 8.249e-02 5.428e-02 2.175e-02 / CHEB/ 1.539e-02 2.516e-02 1.138e-02 8.331e-03 / CHEB/ -1.757e-02 -6.922e-03 1.757e-03 3.238e-03 /

5520.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.0	-7.0	-2.6	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-19.3	-7.2	-2.7	-0.3

Chebyshev(coeffs=[[-11.9071,-0.384606,-0.229056,-0.0942021],[16.9561,0.255346,0.142073,0.0489936],[0.453026,0.0557914,0.0388479,0.02096],[0.173445,0.0423808,0.024644,0.00970181],[0.0304941,0.0121685,0.00787239,0.00382996],[-0.0103169,-0.00762808,-0.00311633,8.0979e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.53
S298 (cal/mol*K) = 6.11
G298 (kcal/mol) = 40.71

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(687); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(687)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.191e+01 -3.846e-01 -2.291e-01 -9.420e-02 / CHEB/ 1.696e+01 2.553e-01 1.421e-01 4.899e-02 / CHEB/ 4.530e-01 5.579e-02 3.885e-02 2.096e-02 / CHEB/ 1.734e-01 4.238e-02 2.464e-02 9.702e-03 / CHEB/ 3.049e-02 1.217e-02 7.872e-03 3.830e-03 / CHEB/ -1.032e-02 -7.628e-03 -3.116e-03 8.098e-05 /

5521.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-6.7	-4.3	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-6.9	-4.4	-3.0

Chebyshev(coeffs=[[-4.80909,-0.287795,-0.178986,-0.0811575],[6.64828,0.135976,0.0806487,0.0329453],[0.927395,0.0633215,0.0380446,0.0160942],[0.233277,0.0412499,0.025701,0.0116191],[0.0405724,0.00243643,0.00312672,0.00279792],[-0.00629465,-0.00856429,-0.00450325,-0.00129792]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.97
S298 (cal/mol*K) = -35.65
G298 (kcal/mol) = 19.59

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(643); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(643)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.809e+00 -2.878e-01 -1.790e-01 -8.116e-02 / CHEB/ 6.648e+00 1.360e-01 8.065e-02 3.295e-02 / CHEB/ 9.274e-01 6.332e-02 3.804e-02 1.609e-02 / CHEB/ 2.333e-01 4.125e-02 2.570e-02 1.162e-02 / CHEB/ 4.057e-02 2.436e-03 3.127e-03 2.798e-03 / CHEB/ -6.295e-03 -8.564e-03 -4.503e-03 -1.298e-03 /

5522.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	-1.5	-0.8	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-2.8	-1.7	-0.9	-0.5

Chebyshev(coeffs=[[3.60787,-0.458873,-0.26717,-0.105376],[1.3703,0.207285,0.114859,0.0392789],[0.35984,0.109953,0.0596073,0.0199809],[0.12587,0.0666613,0.0364174,0.0123696],[0.0230443,0.00494966,0.00544468,0.0042541],[-0.0109122,-0.0137024,-0.00549019,-0.000127532]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -62.83
S298 (cal/mol*K) = -56.90
G298 (kcal/mol) = -45.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(644); C2H4(72), C7H11(644); C5H7(210)+C2H4(72)(+M)=>C7H11(644)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.608e+00 -4.589e-01 -2.672e-01 -1.054e-01 / CHEB/ 1.370e+00 2.073e-01 1.149e-01 3.928e-02 / CHEB/ 3.598e-01 1.100e-01 5.961e-02 1.998e-02 / CHEB/ 1.259e-01 6.666e-02 3.642e-02 1.237e-02 / CHEB/ 2.304e-02 4.950e-03 5.445e-03 4.254e-03 / CHEB/ -1.091e-02 -1.370e-02 -5.490e-03 -1.275e-04 /

5523.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	-0.9	-0.2	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-2.3	-1.1	-0.3	+0.3

Chebyshev(coeffs=[[4.11593,-0.454923,-0.265094,-0.104757],[1.51252,0.210773,0.116818,0.0399935],[0.426156,0.109477,0.0595855,0.0201919],[0.155275,0.0651283,0.0358199,0.0123853],[0.0350783,0.00399759,0.00501706,0.0041988],[-0.00708576,-0.0139502,-0.00566189,-0.000208231]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.83
S298 (cal/mol*K) = -57.63
G298 (kcal/mol) = -51.66

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(645); C2H4(72), C7H11(645); C5H7(210)+C2H4(72)(+M)=>C7H11(645)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.116e+00 -4.549e-01 -2.651e-01 -1.048e-01 / CHEB/ 1.513e+00 2.108e-01 1.168e-01 3.999e-02 / CHEB/ 4.262e-01 1.095e-01 5.959e-02 2.019e-02 / CHEB/ 1.553e-01 6.513e-02 3.582e-02 1.239e-02 / CHEB/ 3.508e-02 3.998e-03 5.017e-03 4.199e-03 / CHEB/ -7.086e-03 -1.395e-02 -5.662e-03 -2.082e-04 /

5524.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.0	-9.4	-5.9	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-19.0	-9.5	-5.9	-4.0

Chebyshev(coeffs=[[-11.9387,-0.156571,-0.102983,-0.0518189],[13.3313,0.0370943,0.02387,0.0115185],[0.424714,0.0448375,0.0285169,0.0134452],[0.174249,0.0328135,0.0211891,0.0102923],[0.0352395,0.00412798,0.003238,0.00210438],[-0.00684253,-0.00510729,-0.00296826,-0.00113475]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.17
S298 (cal/mol*K) = -24.97
G298 (kcal/mol) = 47.61

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(647); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(647)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.194e+01 -1.566e-01 -1.030e-01 -5.182e-02 / CHEB/ 1.333e+01 3.709e-02 2.387e-02 1.152e-02 / CHEB/ 4.247e-01 4.484e-02 2.852e-02 1.345e-02 / CHEB/ 1.742e-01 3.281e-02 2.119e-02 1.029e-02 / CHEB/ 3.524e-02 4.128e-03 3.238e-03 2.104e-03 / CHEB/ -6.843e-03 -5.107e-03 -2.968e-03 -1.135e-03 /

5525.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.0	-9.7	-6.1	-4.2
log₁₀(k(10 bar)/[mole,m,s])	-19.1	-9.7	-6.2	-4.2

Chebyshev(coeffs=[[-11.9853,-0.159476,-0.104778,-0.0526169],[13.0954,0.0386082,0.0248091,0.0119395],[0.436467,0.0455364,0.0289148,0.0135903],[0.175942,0.0331803,0.0214006,0.0103716],[0.0351778,0.00413207,0.00325528,0.00212513],[-0.00690672,-0.00520232,-0.00301593,-0.00114574]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.57
S298 (cal/mol*K) = -27.08
G298 (kcal/mol) = 47.64

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(648); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(648)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.199e+01 -1.595e-01 -1.048e-01 -5.262e-02 / CHEB/ 1.310e+01 3.861e-02 2.481e-02 1.194e-02 / CHEB/ 4.365e-01 4.554e-02 2.891e-02 1.359e-02 / CHEB/ 1.759e-01 3.318e-02 2.140e-02 1.037e-02 / CHEB/ 3.518e-02 4.132e-03 3.255e-03 2.125e-03 / CHEB/ -6.907e-03 -5.202e-03 -3.016e-03 -1.146e-03 /

5526.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-8.6	-5.4	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-8.7	-5.5	-3.7

Chebyshev(coeffs=[[-10.0063,-0.179182,-0.11683,-0.0578625],[11.5924,0.0494674,0.0314693,0.0148573],[0.497468,0.0500666,0.0314413,0.0144626],[0.182496,0.0354468,0.022688,0.0108339],[0.033461,0.00410307,0.00334443,0.00225737],[-0.00788305,-0.00582378,-0.00331901,-0.00120678]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.17
S298 (cal/mol*K) = -25.70
G298 (kcal/mol) = 41.83

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(649); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(649)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.001e+01 -1.792e-01 -1.168e-01 -5.786e-02 / CHEB/ 1.159e+01 4.947e-02 3.147e-02 1.486e-02 / CHEB/ 4.975e-01 5.007e-02 3.144e-02 1.446e-02 / CHEB/ 1.825e-01 3.545e-02 2.269e-02 1.083e-02 / CHEB/ 3.346e-02 4.103e-03 3.344e-03 2.257e-03 / CHEB/ -7.883e-03 -5.824e-03 -3.319e-03 -1.207e-03 /

5527.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.2	-8.9	-5.7	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-17.3	-9.0	-5.7	-4.0

Chebyshev(coeffs=[[-10.208,-0.180021,-0.117338,-0.0580794],[11.5254,0.0496524,0.0315806,0.0149041],[0.492915,0.0504629,0.0316696,0.0145491],[0.184642,0.0356398,0.0227975,0.0108734],[0.033934,0.0040413,0.00331236,0.00224825],[-0.00841678,-0.00586645,-0.00333866,-0.00120946]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.87
S298 (cal/mol*K) = -27.08
G298 (kcal/mol) = 41.94

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(186); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.021e+01 -1.800e-01 -1.173e-01 -5.808e-02 / CHEB/ 1.153e+01 4.965e-02 3.158e-02 1.490e-02 / CHEB/ 4.929e-01 5.046e-02 3.167e-02 1.455e-02 / CHEB/ 1.846e-01 3.564e-02 2.280e-02 1.087e-02 / CHEB/ 3.393e-02 4.041e-03 3.312e-03 2.248e-03 / CHEB/ -8.417e-03 -5.866e-03 -3.339e-03 -1.209e-03 /

5528.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.5	-12.9	-8.9	-6.7
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-13.0	-8.9	-6.7

Chebyshev(coeffs=[[-16.332,-0.141865,-0.0938099,-0.0476599],[14.8805,0.0327122,0.0211669,0.0103211],[0.504941,0.0408112,0.0261859,0.0125588],[0.195718,0.0300911,0.0195817,0.00965217],[0.0450644,0.00373362,0.00292477,0.00190294],[-0.00205351,-0.00468373,-0.00276693,-0.00110164]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.87
S298 (cal/mol*K) = -36.10
G298 (kcal/mol) = 55.63

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(650); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(650)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.633e+01 -1.419e-01 -9.381e-02 -4.766e-02 / CHEB/ 1.488e+01 3.271e-02 2.117e-02 1.032e-02 / CHEB/ 5.049e-01 4.081e-02 2.619e-02 1.256e-02 / CHEB/ 1.957e-01 3.009e-02 1.958e-02 9.652e-03 / CHEB/ 4.506e-02 3.734e-03 2.925e-03 1.903e-03 / CHEB/ -2.054e-03 -4.684e-03 -2.767e-03 -1.102e-03 /

5552.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+1.3	+2.0	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+1.0	+1.9	+2.2

Chebyshev(coeffs=[[5.87067,-0.530765,-0.301292,-0.111042],[1.90441,0.341538,0.177253,0.0498276],[0.460429,0.0963626,0.0634198,0.0306447],[0.0627288,0.0706959,0.0387138,0.0132683],[-0.0354224,0.00459828,0.00493383,0.00400867],[-0.0405294,-0.0197882,-0.00913907,-0.00127028]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.64
S298 (cal/mol*K) = -47.31
G298 (kcal/mol) = -28.54

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(920); C2H4(72), C7H11(920); C5H7(210)+C2H4(72)(+M)=>C7H11(920)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.871e+00 -5.308e-01 -3.013e-01 -1.110e-01 / CHEB/ 1.904e+00 3.415e-01 1.773e-01 4.983e-02 / CHEB/ 4.604e-01 9.636e-02 6.342e-02 3.064e-02 / CHEB/ 6.273e-02 7.070e-02 3.871e-02 1.327e-02 / CHEB/ -3.542e-02 4.598e-03 4.934e-03 4.009e-03 / CHEB/ -4.053e-02 -1.979e-02 -9.139e-03 -1.270e-03 /

5553.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+1.3	+2.0	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+1.0	+1.9	+2.2

H298 (kcal/mol) = -46.61
S298 (cal/mol*K) = -46.42
G298 (kcal/mol) = -32.78

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(921); C2H4(72), C7H11(921); C5H7(210)+C2H4(72)(+M)=>C7H11(921)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.871e+00 -5.308e-01 -3.013e-01 -1.110e-01 / CHEB/ 1.904e+00 3.415e-01 1.773e-01 4.983e-02 / CHEB/ 4.604e-01 9.636e-02 6.342e-02 3.064e-02 / CHEB/ 6.273e-02 7.070e-02 3.871e-02 1.327e-02 / CHEB/ -3.542e-02 4.598e-03 4.934e-03 4.009e-03 / CHEB/ -4.053e-02 -1.979e-02 -9.139e-03 -1.270e-03 /

5554.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+3.7	+4.1	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+3.4	+4.0	+4.2

Chebyshev(coeffs=[[8.60363,-0.549491,-0.310304,-0.112875],[1.30596,0.338613,0.174619,0.048017],[0.314498,0.105522,0.0674932,0.03102],[0.0402485,0.0769709,0.0416033,0.0137291],[-0.035526,0.00632441,0.00595272,0.0044218],[-0.0402796,-0.0201808,-0.00897515,-0.000867461]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.31
S298 (cal/mol*K) = -41.89
G298 (kcal/mol) = -43.83

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(922); C2H4(72), C7H11(922); C5H7(210)+C2H4(72)(+M)=>C7H11(922)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.604e+00 -5.495e-01 -3.103e-01 -1.129e-01 / CHEB/ 1.306e+00 3.386e-01 1.746e-01 4.802e-02 / CHEB/ 3.145e-01 1.055e-01 6.749e-02 3.102e-02 / CHEB/ 4.025e-02 7.697e-02 4.160e-02 1.373e-02 / CHEB/ -3.553e-02 6.324e-03 5.953e-03 4.422e-03 / CHEB/ -4.028e-02 -2.018e-02 -8.975e-03 -8.675e-04 /

5555.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-3.4	-0.9	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-3.5	-1.0	+0.3

Chebyshev(coeffs=[[-2.3347,-0.326141,-0.201293,-0.0894675],[7.78879,0.219402,0.129003,0.0513556],[0.772477,0.0579633,0.0396079,0.0210086],[0.122357,0.0471973,0.0282274,0.0117357],[-0.020283,-0.000892972,0.000742584,0.00156565],[-0.028099,-0.016154,-0.00910845,-0.00319683]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.35
S298 (cal/mol*K) = -20.64
G298 (kcal/mol) = 17.50

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(923); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(923)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.335e+00 -3.261e-01 -2.013e-01 -8.947e-02 / CHEB/ 7.789e+00 2.194e-01 1.290e-01 5.136e-02 / CHEB/ 7.725e-01 5.796e-02 3.961e-02 2.101e-02 / CHEB/ 1.224e-01 4.720e-02 2.823e-02 1.174e-02 / CHEB/ -2.028e-02 -8.930e-04 7.426e-04 1.566e-03 / CHEB/ -2.810e-02 -1.615e-02 -9.108e-03 -3.197e-03 /

5556.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	-1.2	+0.3	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-4.8	-1.4	+0.2	+1.1

Chebyshev(coeffs=[[2.26695,-0.465068,-0.269467,-0.10437],[3.88402,0.333474,0.178145,0.0549745],[0.869621,0.0690121,0.0500503,0.0281133],[0.123045,0.0565518,0.0318192,0.0117186],[-0.0232862,0.000698112,0.00236766,0.0027512],[-0.0324139,-0.0189582,-0.00970458,-0.002426]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.36
S298 (cal/mol*K) = -50.56
G298 (kcal/mol) = -34.30

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(924); C2H4(72), C7H11(924); C5H7(210)+C2H4(72)(+M)=>C7H11(924)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.267e+00 -4.651e-01 -2.695e-01 -1.044e-01 / CHEB/ 3.884e+00 3.335e-01 1.781e-01 5.497e-02 / CHEB/ 8.696e-01 6.901e-02 5.005e-02 2.811e-02 / CHEB/ 1.230e-01 5.655e-02 3.182e-02 1.172e-02 / CHEB/ -2.329e-02 6.981e-04 2.368e-03 2.751e-03 / CHEB/ -3.241e-02 -1.896e-02 -9.705e-03 -2.426e-03 /

5557.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-3.2	-1.1	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-3.3	-1.1	+0.0

Chebyshev(coeffs=[[-1.41289,-0.363336,-0.220657,-0.0948117],[6.57936,0.248382,0.142445,0.0533595],[0.786857,0.0607938,0.042148,0.0227453],[0.109361,0.0503207,0.0295745,0.0118498],[-0.0273143,-5.47567e-05,0.00142419,0.00200144],[-0.031272,-0.0168481,-0.00925181,-0.00299394]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.89
S298 (cal/mol*K) = -44.68
G298 (kcal/mol) = -12.58

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(925); C2H4(72), C7H11(925); C5H7(210)+C2H4(72)(+M)=>C7H11(925)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.413e+00 -3.633e-01 -2.207e-01 -9.481e-02 / CHEB/ 6.579e+00 2.484e-01 1.424e-01 5.336e-02 / CHEB/ 7.869e-01 6.079e-02 4.215e-02 2.275e-02 / CHEB/ 1.094e-01 5.032e-02 2.957e-02 1.185e-02 / CHEB/ -2.731e-02 -5.476e-05 1.424e-03 2.001e-03 / CHEB/ -3.127e-02 -1.685e-02 -9.252e-03 -2.994e-03 /

5558.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	-1.0	+0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-3.7	-1.2	+0.1	+0.7

Chebyshev(coeffs=[[3.11587,-0.499543,-0.286182,-0.107887],[2.84678,0.341448,0.179429,0.0525779],[0.67743,0.0821197,0.05675,0.0296702],[0.0934044,0.0626437,0.0348609,0.0124905],[-0.0322034,0.00246892,0.00357045,0.00336738],[-0.0376809,-0.0193325,-0.00943031,-0.00187374]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.75
S298 (cal/mol*K) = -50.46
G298 (kcal/mol) = -46.72

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(926); C2H4(72), C7H11(926); C5H7(210)+C2H4(72)(+M)=>C7H11(926)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.116e+00 -4.995e-01 -2.862e-01 -1.079e-01 / CHEB/ 2.847e+00 3.414e-01 1.794e-01 5.258e-02 / CHEB/ 6.774e-01 8.212e-02 5.675e-02 2.967e-02 / CHEB/ 9.340e-02 6.264e-02 3.486e-02 1.249e-02 / CHEB/ -3.220e-02 2.469e-03 3.570e-03 3.367e-03 / CHEB/ -3.768e-02 -1.933e-02 -9.430e-03 -1.874e-03 /

5559.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	-0.4	+0.5	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-2.6	-0.6	+0.4	+0.8

Chebyshev(coeffs=[[4.05086,-0.520684,-0.296326,-0.109912],[2.2267,0.34363,0.179026,0.0509934],[0.55065,0.0920526,0.0615293,0.0305122],[0.0817744,0.0674594,0.0371956,0.0130016],[-0.031994,0.00343044,0.00424982,0.00373937],[-0.0388451,-0.0198098,-0.00934503,-0.0015197]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.14
S298 (cal/mol*K) = -41.36
G298 (kcal/mol) = -21.82

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(927); C2H4(72), C7H11(927); C5H7(210)+C2H4(72)(+M)=>C7H11(927)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.051e+00 -5.207e-01 -2.963e-01 -1.099e-01 / CHEB/ 2.227e+00 3.436e-01 1.790e-01 5.099e-02 / CHEB/ 5.507e-01 9.205e-02 6.153e-02 3.051e-02 / CHEB/ 8.177e-02 6.746e-02 3.720e-02 1.300e-02 / CHEB/ -3.199e-02 3.430e-03 4.250e-03 3.739e-03 / CHEB/ -3.885e-02 -1.981e-02 -9.345e-03 -1.520e-03 /

5560.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-1.9	-1.0	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-4.2	-2.1	-1.1	-0.6

Chebyshev(coeffs=[[2.48394,-0.517469,-0.294759,-0.109572],[2.32287,0.343901,0.179391,0.051312],[0.576049,0.0905811,0.0608555,0.0304305],[0.0862846,0.0665349,0.0367545,0.012915],[-0.0312324,0.00316092,0.00408203,0.00366434],[-0.0384325,-0.0197753,-0.00938535,-0.00158858]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.49
S298 (cal/mol*K) = -43.08
G298 (kcal/mol) = -18.66

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(928); C2H4(72), C7H11(928); C5H7(210)+C2H4(72)(+M)=>C7H11(928)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.484e+00 -5.175e-01 -2.948e-01 -1.096e-01 / CHEB/ 2.323e+00 3.439e-01 1.794e-01 5.131e-02 / CHEB/ 5.760e-01 9.058e-02 6.086e-02 3.043e-02 / CHEB/ 8.628e-02 6.653e-02 3.675e-02 1.291e-02 / CHEB/ -3.123e-02 3.161e-03 4.082e-03 3.664e-03 / CHEB/ -3.843e-02 -1.978e-02 -9.385e-03 -1.589e-03 /

5561.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-6.3	-3.6	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-6.4	-3.6	-2.3

Chebyshev(coeffs=[[-6.32058,-0.280635,-0.176848,-0.0819801],[9.38901,0.175642,0.106642,0.0456727],[0.594028,0.0567538,0.0377325,0.0192203],[0.102599,0.0455117,0.0278003,0.0120731],[-0.0215352,-0.000577583,0.000696505,0.0013336],[-0.0284888,-0.0149635,-0.00863217,-0.00323016]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.42
S298 (cal/mol*K) = -26.27
G298 (kcal/mol) = 32.25

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(929); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(929)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.321e+00 -2.806e-01 -1.768e-01 -8.198e-02 / CHEB/ 9.389e+00 1.756e-01 1.066e-01 4.567e-02 / CHEB/ 5.940e-01 5.675e-02 3.773e-02 1.922e-02 / CHEB/ 1.026e-01 4.551e-02 2.780e-02 1.207e-02 / CHEB/ -2.154e-02 -5.776e-04 6.965e-04 1.334e-03 / CHEB/ -2.849e-02 -1.496e-02 -8.632e-03 -3.230e-03 /

5562.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-2.9	-0.4	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-3.0	-0.4	+0.8

Chebyshev(coeffs=[[-3.43244,-0.249019,-0.158945,-0.0755554],[9.92383,0.151467,0.0937612,0.0418592],[0.356861,0.0529928,0.0350582,0.0177402],[0.0470486,0.0426507,0.0264418,0.0118428],[-0.0346945,-0.000869324,0.000356366,0.00103442],[-0.0321285,-0.01407,-0.00828383,-0.00326968]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.47
S298 (cal/mol*K) = -5.26
G298 (kcal/mol) = 30.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H6(930); C2H4(72), C2H5(419); C5H7(210)+C2H4(72)(+M)=>C2H5(419)+C5H6(930)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.432e+00 -2.490e-01 -1.589e-01 -7.556e-02 / CHEB/ 9.924e+00 1.515e-01 9.376e-02 4.186e-02 / CHEB/ 3.569e-01 5.299e-02 3.506e-02 1.774e-02 / CHEB/ 4.705e-02 4.265e-02 2.644e-02 1.184e-02 / CHEB/ -3.469e-02 -8.693e-04 3.564e-04 1.034e-03 / CHEB/ -3.213e-02 -1.407e-02 -8.284e-03 -3.270e-03 /

5563.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-7.5	-3.3	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-7.6	-3.3	-1.2

Chebyshev(coeffs=[[-13.2896,-0.122289,-0.0817369,-0.0423296],[18.0496,0.0624104,0.041381,0.0211191],[0.0912786,0.0331358,0.0218996,0.0111073],[0.00932538,0.0257607,0.0169533,0.00853388],[-0.0218321,-0.0016505,-0.00072513,-2.42518e-05],[-0.0202829,-0.00866452,-0.00549741,-0.00257358]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.33
S298 (cal/mol*K) = -2.41
G298 (kcal/mol) = 58.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(931); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>CH3(423)+C6H8(931)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.329e+01 -1.223e-01 -8.174e-02 -4.233e-02 / CHEB/ 1.805e+01 6.241e-02 4.138e-02 2.112e-02 / CHEB/ 9.128e-02 3.314e-02 2.190e-02 1.111e-02 / CHEB/ 9.325e-03 2.576e-02 1.695e-02 8.534e-03 / CHEB/ -2.183e-02 -1.651e-03 -7.251e-04 -2.425e-05 / CHEB/ -2.028e-02 -8.665e-03 -5.497e-03 -2.574e-03 /

5564.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.3	-11.2	-6.1	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-26.3	-11.2	-6.1	-3.5

Chebyshev(coeffs=[[-18.9464,-0.0981441,-0.0660999,-0.0346967],[21.2413,0.04663,0.03127,0.016287],[0.182452,0.0288733,0.0191444,0.00976886],[0.0404676,0.0215067,0.0143031,0.00733954],[-0.00669473,-0.00171495,-0.00086577,-0.000186611],[-0.0131421,-0.00731173,-0.00469878,-0.00225741]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.96
S298 (cal/mol*K) = -10.23
G298 (kcal/mol) = 70.00

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(932); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(932)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.895e+01 -9.814e-02 -6.610e-02 -3.470e-02 / CHEB/ 2.124e+01 4.663e-02 3.127e-02 1.629e-02 / CHEB/ 1.825e-01 2.887e-02 1.914e-02 9.769e-03 / CHEB/ 4.047e-02 2.151e-02 1.430e-02 7.340e-03 / CHEB/ -6.695e-03 -1.715e-03 -8.658e-04 -1.866e-04 / CHEB/ -1.314e-02 -7.312e-03 -4.699e-03 -2.257e-03 /

5565.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.2	-8.9	-4.3	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-23.3	-9.0	-4.3	-2.0

Chebyshev(coeffs=[[-16.0889,-0.100325,-0.0675239,-0.0354025],[20.1564,0.0480346,0.0321803,0.0167319],[0.0040548,0.0292683,0.0193989,0.00989174],[-0.0123951,0.0219046,0.0145543,0.00745602],[-0.0246256,-0.00171181,-0.000854936,-0.000172956],[-0.019626,-0.0074379,-0.00477437,-0.00228847]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.91
S298 (cal/mol*K) = 1.55
G298 (kcal/mol) = 64.45

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H4(933); C2H4(72), C3H7(431); C5H7(210)+C2H4(72)(+M)=>C3H7(431)+C4H4(933)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.609e+01 -1.003e-01 -6.752e-02 -3.540e-02 / CHEB/ 2.016e+01 4.803e-02 3.218e-02 1.673e-02 / CHEB/ 4.055e-03 2.927e-02 1.940e-02 9.892e-03 / CHEB/ -1.240e-02 2.190e-02 1.455e-02 7.456e-03 / CHEB/ -2.463e-02 -1.712e-03 -8.549e-04 -1.730e-04 / CHEB/ -1.963e-02 -7.438e-03 -4.774e-03 -2.288e-03 /

5566.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.4	-7.5	-4.0	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-7.6	-4.0	-2.2

Chebyshev(coeffs=[[-10.3882,-0.190913,-0.124594,-0.061778],[13.7087,0.10925,0.0699081,0.0333733],[0.407385,0.0445682,0.0293829,0.0148144],[0.0839591,0.0360451,0.0229741,0.0108799],[-0.0112422,-0.00128349,-0.00018751,0.000518204],[-0.0210864,-0.0119645,-0.00730212,-0.00314259]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.35
S298 (cal/mol*K) = -19.32
G298 (kcal/mol) = 45.10

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(934); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(934)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.039e+01 -1.909e-01 -1.246e-01 -6.178e-02 / CHEB/ 1.371e+01 1.092e-01 6.991e-02 3.337e-02 / CHEB/ 4.074e-01 4.457e-02 2.938e-02 1.481e-02 / CHEB/ 8.396e-02 3.605e-02 2.297e-02 1.088e-02 / CHEB/ -1.124e-02 -1.283e-03 -1.875e-04 5.182e-04 / CHEB/ -2.109e-02 -1.196e-02 -7.302e-03 -3.143e-03 /

5567.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.1	-11.2	-5.7	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-11.2	-5.7	-2.9

Chebyshev(coeffs=[[-19.6434,-0.0908017,-0.0612844,-0.0322889],[22.3888,0.042947,0.0288836,0.0151215],[0.262713,0.0272707,0.0181147,0.00927421],[0.068134,0.0198457,0.0132412,0.00683463],[0.00735073,-0.00193067,-0.00103802,-0.000301672],[-0.00813505,-0.00690641,-0.00445917,-0.00216233]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.61
S298 (cal/mol*K) = -11.94
G298 (kcal/mol) = 73.16

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(935); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(935)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.964e+01 -9.080e-02 -6.128e-02 -3.229e-02 / CHEB/ 2.239e+01 4.295e-02 2.888e-02 1.512e-02 / CHEB/ 2.627e-01 2.727e-02 1.811e-02 9.274e-03 / CHEB/ 6.813e-02 1.985e-02 1.324e-02 6.835e-03 / CHEB/ 7.351e-03 -1.931e-03 -1.038e-03 -3.017e-04 / CHEB/ -8.135e-03 -6.906e-03 -4.459e-03 -2.162e-03 /

5568.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.9	-12.9	-7.2	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-29.9	-13.0	-7.2	-4.3

Chebyshev(coeffs=[[-22.3603,-0.0799541,-0.0541402,-0.0286887],[23.8733,0.0351606,0.0237623,0.0125474],[0.191593,0.0254265,0.0169284,0.00870304],[0.0454517,0.0180806,0.0121138,0.00629948],[-0.00153248,-0.00171145,-0.000935678,-0.000289572],[-0.00990989,-0.00622553,-0.00403978,-0.00197826]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.21
S298 (cal/mol*K) = -13.55
G298 (kcal/mol) = 79.24

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(936); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(936)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.236e+01 -7.995e-02 -5.414e-02 -2.869e-02 / CHEB/ 2.387e+01 3.516e-02 2.376e-02 1.255e-02 / CHEB/ 1.916e-01 2.543e-02 1.693e-02 8.703e-03 / CHEB/ 4.545e-02 1.808e-02 1.211e-02 6.299e-03 / CHEB/ -1.532e-03 -1.711e-03 -9.357e-04 -2.896e-04 / CHEB/ -9.910e-03 -6.226e-03 -4.040e-03 -1.978e-03 /

5569.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.0	-13.1	-7.5	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-30.1	-13.2	-7.5	-4.7

Chebyshev(coeffs=[[-22.5955,-0.0769198,-0.052131,-0.0276662],[23.8545,0.0332997,0.0225319,0.0119229],[0.078764,0.0248152,0.0165357,0.00851448],[0.0125236,0.01749,0.011732,0.00611387],[-0.0118672,-0.00170433,-0.000942852,-0.000304355],[-0.013311,-0.00603785,-0.00392451,-0.00192802]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.98
S298 (cal/mol*K) = -7.00
G298 (kcal/mol) = 78.06

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(937); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(937)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.260e+01 -7.692e-02 -5.213e-02 -2.767e-02 / CHEB/ 2.385e+01 3.330e-02 2.253e-02 1.192e-02 / CHEB/ 7.876e-02 2.482e-02 1.654e-02 8.514e-03 / CHEB/ 1.252e-02 1.749e-02 1.173e-02 6.114e-03 / CHEB/ -1.187e-02 -1.704e-03 -9.429e-04 -3.044e-04 / CHEB/ -1.331e-02 -6.038e-03 -3.925e-03 -1.928e-03 /

5570.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-2.5	-0.7	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-2.7	-0.7	+0.3

Chebyshev(coeffs=[[-0.148802,-0.396433,-0.237291,-0.0988295],[5.59706,0.273436,0.153298,0.0541583],[0.781362,0.0630697,0.0443444,0.0242875],[0.0961313,0.0533737,0.0308729,0.0119596],[-0.0312289,0.000902496,0.0021419,0.00241134],[-0.03367,-0.0173522,-0.00928847,-0.00275688]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.24
S298 (cal/mol*K) = -50.73
G298 (kcal/mol) = -50.13

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(938); C2H4(72), C7H11(938); C5H7(210)+C2H4(72)(+M)=>C7H11(938)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.488e-01 -3.964e-01 -2.373e-01 -9.883e-02 / CHEB/ 5.597e+00 2.734e-01 1.533e-01 5.416e-02 / CHEB/ 7.814e-01 6.307e-02 4.434e-02 2.429e-02 / CHEB/ 9.613e-02 5.337e-02 3.087e-02 1.196e-02 / CHEB/ -3.123e-02 9.025e-04 2.142e-03 2.411e-03 / CHEB/ -3.367e-02 -1.735e-02 -9.288e-03 -2.757e-03 /

5571.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.0	-10.1	-5.4	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-10.2	-5.5	-3.1

Chebyshev(coeffs=[[-16.7406,-0.112698,-0.0755587,-0.0393454],[19.4399,0.0560853,0.0373589,0.019226],[0.169835,0.0314674,0.0208187,0.0105801],[0.0343208,0.0241102,0.0159347,0.00808412],[-0.0116239,-0.00168303,-0.000785871,-9.14045e-05],[-0.0159783,-0.00813863,-0.00519016,-0.00245524]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.65
S298 (cal/mol*K) = -12.86
G298 (kcal/mol) = 56.48

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(939); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(939)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.674e+01 -1.127e-01 -7.556e-02 -3.935e-02 / CHEB/ 1.944e+01 5.609e-02 3.736e-02 1.923e-02 / CHEB/ 1.698e-01 3.147e-02 2.082e-02 1.058e-02 / CHEB/ 3.432e-02 2.411e-02 1.593e-02 8.084e-03 / CHEB/ -1.162e-02 -1.683e-03 -7.859e-04 -9.140e-05 / CHEB/ -1.598e-02 -8.139e-03 -5.190e-03 -2.455e-03 /

5572.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.9	-15.2	-9.2	-6.1
log₁₀(k(10 bar)/[mole,m,s])	-33.0	-15.3	-9.2	-6.1

Chebyshev(coeffs=[[-25.3409,-0.0730006,-0.0495276,-0.0263332],[24.9726,0.0316613,0.0214506,0.011376],[0.217878,0.0238406,0.0159083,0.00821194],[0.0586125,0.0164943,0.0110828,0.00579296],[0.00885993,-0.00185545,-0.00105924,-0.000378894],[-0.0063623,-0.00581402,-0.00378965,-0.00187191]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.71
S298 (cal/mol*K) = -16.89
G298 (kcal/mol) = 83.74

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(940); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(940)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.534e+01 -7.300e-02 -4.953e-02 -2.633e-02 / CHEB/ 2.497e+01 3.166e-02 2.145e-02 1.138e-02 / CHEB/ 2.179e-01 2.384e-02 1.591e-02 8.212e-03 / CHEB/ 5.861e-02 1.649e-02 1.108e-02 5.793e-03 / CHEB/ 8.860e-03 -1.855e-03 -1.059e-03 -3.789e-04 / CHEB/ -6.362e-03 -5.814e-03 -3.790e-03 -1.872e-03 /

5573.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+0.5	+1.8	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+0.3	+1.7	+2.6

Chebyshev(coeffs=[[5.0782,-0.555367,-0.33054,-0.136876],[2.4429,0.322937,0.184344,0.0683626],[0.77425,0.0823341,0.0463912,0.0175668],[0.240634,0.0646696,0.0363752,0.0132265],[0.0491575,0.0118179,0.010485,0.0071853],[-0.00611437,-0.00999999,-0.00331201,0.000843164]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.59
S298 (cal/mol*K) = -42.61
G298 (kcal/mol) = -18.89

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(609); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(609)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.078e+00 -5.554e-01 -3.305e-01 -1.369e-01 / CHEB/ 2.443e+00 3.229e-01 1.843e-01 6.836e-02 / CHEB/ 7.743e-01 8.233e-02 4.639e-02 1.757e-02 / CHEB/ 2.406e-01 6.467e-02 3.638e-02 1.323e-02 / CHEB/ 4.916e-02 1.182e-02 1.049e-02 7.185e-03 / CHEB/ -6.114e-03 -1.000e-02 -3.312e-03 8.432e-04 /

5574.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-2.5	-0.7	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-2.7	-0.8	+0.3

Chebyshev(coeffs=[[0.554207,-0.458627,-0.28059,-0.12312],[4.67133,0.269438,0.157623,0.0622484],[0.92143,0.0488078,0.0292262,0.0126308],[0.17732,0.0541291,0.032112,0.0130842],[0.0102548,0.0127197,0.0103127,0.00662872],[-0.0192256,-0.00616645,-0.00229414,0.000286326]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.15
S298 (cal/mol*K) = -29.57
G298 (kcal/mol) = 5.66

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(711); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(711)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.542e-01 -4.586e-01 -2.806e-01 -1.231e-01 / CHEB/ 4.671e+00 2.694e-01 1.576e-01 6.225e-02 / CHEB/ 9.214e-01 4.881e-02 2.923e-02 1.263e-02 / CHEB/ 1.773e-01 5.413e-02 3.211e-02 1.308e-02 / CHEB/ 1.025e-02 1.272e-02 1.031e-02 6.629e-03 / CHEB/ -1.923e-02 -6.166e-03 -2.294e-03 2.863e-04 /

5575.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-0.8	+0.6	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-4.2	-1.0	+0.5	+1.3

Chebyshev(coeffs=[[2.67251,-0.468308,-0.285945,-0.124964],[3.80489,0.268105,0.156568,0.0615608],[0.70733,0.0513827,0.0303951,0.0128088],[0.115373,0.0562106,0.0330918,0.0132619],[-0.00930894,0.0137679,0.0109347,0.00686572],[-0.0256747,-0.00597245,-0.00207061,0.000460551]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.04
S298 (cal/mol*K) = -17.77
G298 (kcal/mol) = 5.25

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(712); C2H4(72), CH3(423); C5H7(210)+C2H4(72)(+M)=>CH3(423)+C6H8(712)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.673e+00 -4.683e-01 -2.859e-01 -1.250e-01 / CHEB/ 3.805e+00 2.681e-01 1.566e-01 6.156e-02 / CHEB/ 7.073e-01 5.138e-02 3.040e-02 1.281e-02 / CHEB/ 1.154e-01 5.621e-02 3.309e-02 1.326e-02 / CHEB/ -9.309e-03 1.377e-02 1.093e-02 6.866e-03 / CHEB/ -2.567e-02 -5.972e-03 -2.071e-03 4.606e-04 /

5576.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-4.3	-2.3	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-4.5	-2.4	-1.3

Chebyshev(coeffs=[[-1.86768,-0.415409,-0.257871,-0.116508],[5.5844,0.225215,0.134671,0.0559612],[0.82868,0.0509442,0.0301081,0.0125061],[0.166626,0.0522652,0.031512,0.013297],[0.00306161,0.0130192,0.0101815,0.0063471],[-0.0214369,-0.00531008,-0.00200866,0.000221519]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.65
S298 (cal/mol*K) = -29.86
G298 (kcal/mol) = 17.55

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(713); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(713)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.868e+00 -4.154e-01 -2.579e-01 -1.165e-01 / CHEB/ 5.584e+00 2.252e-01 1.347e-01 5.596e-02 / CHEB/ 8.287e-01 5.094e-02 3.011e-02 1.251e-02 / CHEB/ 1.666e-01 5.227e-02 3.151e-02 1.330e-02 / CHEB/ 3.062e-03 1.302e-02 1.018e-02 6.347e-03 / CHEB/ -2.144e-02 -5.310e-03 -2.009e-03 2.215e-04 /

5577.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-5.9	-3.2	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-6.0	-3.3	-1.9

Chebyshev(coeffs=[[-5.60477,-0.292879,-0.188803,-0.0916263],[8.9694,0.126002,0.0796275,0.0371398],[0.625275,0.0468794,0.0285499,0.0123967],[0.165077,0.0458181,0.0286886,0.0131076],[0.00403542,0.011195,0.00835603,0.00504127],[-0.0230979,-0.00393351,-0.00175553,-0.000152381]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.70
S298 (cal/mol*K) = -21.73
G298 (kcal/mol) = 30.17

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(714); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(714)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.605e+00 -2.929e-01 -1.888e-01 -9.163e-02 / CHEB/ 8.969e+00 1.260e-01 7.963e-02 3.714e-02 / CHEB/ 6.253e-01 4.688e-02 2.855e-02 1.240e-02 / CHEB/ 1.651e-01 4.582e-02 2.869e-02 1.311e-02 / CHEB/ 4.035e-03 1.119e-02 8.356e-03 5.041e-03 / CHEB/ -2.310e-02 -3.934e-03 -1.756e-03 -1.524e-04 /

5578.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-5.8	-3.2	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-6.0	-3.3	-1.9

Chebyshev(coeffs=[[-5.53285,-0.291517,-0.188001,-0.091304],[8.88991,0.125012,0.0790467,0.0369099],[0.594037,0.0467421,0.0284823,0.0123804],[0.156319,0.0457383,0.0286501,0.0131007],[0.00129955,0.0111795,0.00833843,0.00502726],[-0.024069,-0.00391779,-0.00175178,-0.000155816]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.70
S298 (cal/mol*K) = -21.27
G298 (kcal/mol) = 30.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(715); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(715)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.533e+00 -2.915e-01 -1.880e-01 -9.130e-02 / CHEB/ 8.890e+00 1.250e-01 7.905e-02 3.691e-02 / CHEB/ 5.940e-01 4.674e-02 2.848e-02 1.238e-02 / CHEB/ 1.563e-01 4.574e-02 2.865e-02 1.310e-02 / CHEB/ 1.300e-03 1.118e-02 8.338e-03 5.027e-03 / CHEB/ -2.407e-02 -3.918e-03 -1.752e-03 -1.558e-04 /

5579.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-5.0	-2.9	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-5.2	-3.0	-1.8

Chebyshev(coeffs=[[-2.78418,-0.400445,-0.249686,-0.113797],[5.96316,0.215062,0.12938,0.0544968],[0.845952,0.0501236,0.0297386,0.0124214],[0.167505,0.0511,0.0310046,0.0132585],[-0.00479406,0.0126673,0.00988894,0.00617115],[-0.0238704,-0.00518164,-0.00202649,0.000137923]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.00
S298 (cal/mol*K) = -29.98
G298 (kcal/mol) = 18.93

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(619); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(619)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.784e+00 -4.004e-01 -2.497e-01 -1.138e-01 / CHEB/ 5.963e+00 2.151e-01 1.294e-01 5.450e-02 / CHEB/ 8.460e-01 5.012e-02 2.974e-02 1.242e-02 / CHEB/ 1.675e-01 5.110e-02 3.100e-02 1.326e-02 / CHEB/ -4.794e-03 1.267e-02 9.889e-03 6.171e-03 / CHEB/ -2.387e-02 -5.182e-03 -2.026e-03 1.379e-04 /

5580.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.8	-8.1	-4.8	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-8.2	-4.8	-3.1

Chebyshev(coeffs=[[-9.75183,-0.231139,-0.151655,-0.0759892],[11.9685,0.0832483,0.0539453,0.0263935],[0.557518,0.04008,0.0250504,0.0114236],[0.167435,0.0411037,0.0262359,0.0124589],[0.0121187,0.0103783,0.00752111,0.00440325],[-0.0199269,-0.00306466,-0.00146867,-0.000244011]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.25
S298 (cal/mol*K) = -24.36
G298 (kcal/mol) = 41.51

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(716); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(716)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.752e+00 -2.311e-01 -1.517e-01 -7.599e-02 / CHEB/ 1.197e+01 8.325e-02 5.395e-02 2.639e-02 / CHEB/ 5.575e-01 4.008e-02 2.505e-02 1.142e-02 / CHEB/ 1.674e-01 4.110e-02 2.624e-02 1.246e-02 / CHEB/ 1.212e-02 1.038e-02 7.521e-03 4.403e-03 / CHEB/ -1.993e-02 -3.065e-03 -1.469e-03 -2.440e-04 /

5581.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+2.1	+2.8	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+1.8	+2.6	+3.1

Chebyshev(coeffs=[[6.82823,-0.584481,-0.346252,-0.141967],[1.69692,0.302478,0.172421,0.0635861],[0.437865,0.0878864,0.0480762,0.016903],[0.107125,0.0754688,0.0410329,0.0136808],[-0.00119682,0.0184371,0.0137637,0.00795306],[-0.0206482,-0.00810955,-0.0019099,0.00159336]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.46
S298 (cal/mol*K) = -37.17
G298 (kcal/mol) = -41.39

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(717); C2H4(72), C7H11(717); C5H7(210)+C2H4(72)(+M)=>C7H11(717)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.828e+00 -5.845e-01 -3.463e-01 -1.420e-01 / CHEB/ 1.697e+00 3.025e-01 1.724e-01 6.359e-02 / CHEB/ 4.379e-01 8.789e-02 4.808e-02 1.690e-02 / CHEB/ 1.071e-01 7.547e-02 4.103e-02 1.368e-02 / CHEB/ -1.197e-03 1.844e-02 1.376e-02 7.953e-03 / CHEB/ -2.065e-02 -8.110e-03 -1.910e-03 1.593e-03 /

5582.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-7.4	-4.2	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-7.5	-4.3	-2.7

Chebyshev(coeffs=[[-8.97133,-0.223973,-0.147239,-0.0740357],[11.7589,0.0786966,0.051134,0.0251448],[0.409356,0.0391353,0.024535,0.0112542],[0.126048,0.040399,0.0258484,0.0123331],[-0.000606897,0.0102588,0.00741334,0.00432634],[-0.0242677,-0.00294568,-0.00142137,-0.000246667]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.71
S298 (cal/mol*K) = -15.13
G298 (kcal/mol) = 39.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(719); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(719)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.971e+00 -2.240e-01 -1.472e-01 -7.404e-02 / CHEB/ 1.176e+01 7.870e-02 5.113e-02 2.514e-02 / CHEB/ 4.094e-01 3.914e-02 2.453e-02 1.125e-02 / CHEB/ 1.260e-01 4.040e-02 2.585e-02 1.233e-02 / CHEB/ -6.069e-04 1.026e-02 7.413e-03 4.326e-03 / CHEB/ -2.427e-02 -2.946e-03 -1.421e-03 -2.467e-04 /

5583.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+0.5	+1.0	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+0.2	+0.8	+1.2

Chebyshev(coeffs=[[5.49578,-0.602053,-0.355245,-0.144411],[1.24998,0.297914,0.169879,0.0626155],[0.304483,0.095806,0.0517054,0.0175094],[0.09057,0.0818915,0.043767,0.0139435],[0.008641,0.0205656,0.0147418,0.00811899],[-0.0157756,-0.00840001,-0.00181983,0.00181733]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -94.94
S298 (cal/mol*K) = -56.82
G298 (kcal/mol) = -78.01

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(720); C2H4(72), C7H11(720); C5H7(210)+C2H4(72)(+M)=>C7H11(720)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.496e+00 -6.021e-01 -3.552e-01 -1.444e-01 / CHEB/ 1.250e+00 2.979e-01 1.699e-01 6.262e-02 / CHEB/ 3.045e-01 9.581e-02 5.171e-02 1.751e-02 / CHEB/ 9.057e-02 8.189e-02 4.377e-02 1.394e-02 / CHEB/ 8.641e-03 2.057e-02 1.474e-02 8.119e-03 / CHEB/ -1.578e-02 -8.400e-03 -1.820e-03 1.817e-03 /

5586.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+4.1	+5.1	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+3.1	+4.5	+4.9

Chebyshev(coeffs=[[7.0122,-2.56087,-0.254444,-0.0343901],[3.92294,1.52895,0.0122179,0.00947026],[0.453029,0.393715,-0.0815154,-0.0658883],[-0.206798,0.0895341,0.0289003,-0.0024056],[-0.138327,0.0424525,0.0389098,0.022875],[-0.0431583,-0.00442982,0.00593189,0.00995403]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.31
S298 (cal/mol*K) = -11.58
G298 (kcal/mol) = -65.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(808); H(25), C7H10(808); C7H9(5)+H(25)(+M)=>C7H10(808)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.012e+00 -2.561e+00 -2.544e-01 -3.439e-02 / CHEB/ 3.923e+00 1.529e+00 1.222e-02 9.470e-03 / CHEB/ 4.530e-01 3.937e-01 -8.152e-02 -6.589e-02 / CHEB/ -2.068e-01 8.953e-02 2.890e-02 -2.406e-03 / CHEB/ -1.383e-01 4.245e-02 3.891e-02 2.287e-02 / CHEB/ -4.316e-02 -4.430e-03 5.932e-03 9.954e-03 /

5587.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+1.7	+3.1	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-4.7	+0.8	+2.6	+3.3

Chebyshev(coeffs=[[3.77681,-2.40414,-0.224825,-0.0230437],[5.24869,1.54873,-0.036922,-0.0194254],[0.636497,0.348551,-0.0597863,-0.0551126],[-0.200474,0.0717777,0.0455399,0.00777431],[-0.136627,0.0219291,0.0345009,0.016743],[-0.0393303,-0.0232391,0.00892011,0.00601653]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.83
S298 (cal/mol*K) = 9.17
G298 (kcal/mol) = -11.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(809); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(809)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.777e+00 -2.404e+00 -2.248e-01 -2.304e-02 / CHEB/ 5.249e+00 1.549e+00 -3.692e-02 -1.943e-02 / CHEB/ 6.365e-01 3.486e-01 -5.979e-02 -5.511e-02 / CHEB/ -2.005e-01 7.178e-02 4.554e-02 7.774e-03 / CHEB/ -1.366e-01 2.193e-02 3.450e-02 1.674e-02 / CHEB/ -3.933e-02 -2.324e-02 8.920e-03 6.017e-03 /

5588.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-0.2	+1.7	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-8.1	-0.9	+1.3	+2.1

Chebyshev(coeffs=[[0.062242,-1.96658,-0.183194,-0.0171421],[7.95942,1.30407,-0.110912,-0.056049],[0.440631,0.337787,0.0143387,-0.0171799],[-0.195247,0.0340701,0.0415708,0.00261027],[-0.129415,-0.0276784,0.0360512,0.00930867],[-0.040684,-0.0400227,0.0128243,0.00817043]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.94
S298 (cal/mol*K) = 20.89
G298 (kcal/mol) = 9.71

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H7(810); H(25), CH3(423); C7H9(5)+H(25)(+M)=>CH3(423)+C6H7(810)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.224e-02 -1.967e+00 -1.832e-01 -1.714e-02 / CHEB/ 7.959e+00 1.304e+00 -1.109e-01 -5.605e-02 / CHEB/ 4.406e-01 3.378e-01 1.434e-02 -1.718e-02 / CHEB/ -1.952e-01 3.407e-02 4.157e-02 2.610e-03 / CHEB/ -1.294e-01 -2.768e-02 3.605e-02 9.309e-03 / CHEB/ -4.068e-02 -4.002e-02 1.282e-02 8.170e-03 /

5589.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+0.2	+1.8	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-0.6	+1.4	+2.1

Chebyshev(coeffs=[[1.99776,-2.34422,-0.214983,-0.020454],[5.74071,1.55925,-0.0497522,-0.028349],[0.721339,0.338609,-0.0487943,-0.049888],[-0.182568,0.0641225,0.0493951,0.00975278],[-0.129347,0.0112015,0.0338996,0.0147894],[-0.0363557,-0.0309151,0.0105022,0.0053239]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.80
S298 (cal/mol*K) = 2.58
G298 (kcal/mol) = -5.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(811); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(811)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.998e+00 -2.344e+00 -2.150e-01 -2.045e-02 / CHEB/ 5.741e+00 1.559e+00 -4.975e-02 -2.835e-02 / CHEB/ 7.213e-01 3.386e-01 -4.879e-02 -4.989e-02 / CHEB/ -1.826e-01 6.412e-02 4.940e-02 9.753e-03 / CHEB/ -1.293e-01 1.120e-02 3.390e-02 1.479e-02 / CHEB/ -3.636e-02 -3.092e-02 1.050e-02 5.324e-03 /

5590.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-4.0	-1.6	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-4.6	-1.9	-0.8

Chebyshev(coeffs=[[-5.00287,-1.79311,-0.190149,-0.0343681],[10.0166,1.18836,-0.101392,-0.0357075],[0.455721,0.334554,0.0264689,-0.0196678],[-0.136406,0.0110164,0.0459527,0.000281317],[-0.107419,-0.0434532,0.0349214,0.0120738],[-0.0409602,-0.0360061,0.00858517,0.00985795]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.70
S298 (cal/mol*K) = 9.50
G298 (kcal/mol) = 21.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(812); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(812)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.003e+00 -1.793e+00 -1.901e-01 -3.437e-02 / CHEB/ 1.002e+01 1.188e+00 -1.014e-01 -3.571e-02 / CHEB/ 4.557e-01 3.346e-01 2.647e-02 -1.967e-02 / CHEB/ -1.364e-01 1.102e-02 4.595e-02 2.813e-04 / CHEB/ -1.074e-01 -4.345e-02 3.492e-02 1.207e-02 / CHEB/ -4.096e-02 -3.601e-02 8.585e-03 9.858e-03 /

5591.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-1.5	+0.7	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-2.2	+0.3	+1.3

Chebyshev(coeffs=[[-1.45266,-1.98771,-0.182763,-0.0155011],[8.4389,1.31942,-0.111459,-0.0576024],[0.594679,0.336654,0.0128289,-0.0175674],[-0.156262,0.0366414,0.0412765,0.00309921],[-0.116613,-0.0255835,0.035927,0.00917631],[-0.0354819,-0.0401705,0.0131841,0.00788988]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.50
S298 (cal/mol*K) = 8.40
G298 (kcal/mol) = 13.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(813); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(813)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.453e+00 -1.988e+00 -1.828e-01 -1.550e-02 / CHEB/ 8.439e+00 1.319e+00 -1.115e-01 -5.760e-02 / CHEB/ 5.947e-01 3.367e-01 1.283e-02 -1.757e-02 / CHEB/ -1.563e-01 3.664e-02 4.128e-02 3.099e-03 / CHEB/ -1.166e-01 -2.558e-02 3.593e-02 9.176e-03 / CHEB/ -3.548e-02 -4.017e-02 1.318e-02 7.890e-03 /

5592.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-1.5	+0.7	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-2.2	+0.3	+1.3

H298 (kcal/mol) = 15.50
S298 (cal/mol*K) = 8.40
G298 (kcal/mol) = 13.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(814); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(814)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.453e+00 -1.988e+00 -1.828e-01 -1.550e-02 / CHEB/ 8.439e+00 1.319e+00 -1.115e-01 -5.760e-02 / CHEB/ 5.947e-01 3.367e-01 1.283e-02 -1.757e-02 / CHEB/ -1.563e-01 3.664e-02 4.128e-02 3.099e-03 / CHEB/ -1.166e-01 -2.558e-02 3.593e-02 9.176e-03 / CHEB/ -3.548e-02 -4.017e-02 1.318e-02 7.890e-03 /

5593.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	+0.5	+2.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-0.3	+1.6	+2.3

Chebyshev(coeffs=[[2.22812,-2.32512,-0.2094,-0.0174479],[5.79107,1.53144,-0.0628263,-0.0339234],[0.65236,0.332792,-0.0424378,-0.0463875],[-0.20333,0.0667414,0.047741,0.00951104],[-0.134462,0.0116562,0.0325939,0.0137349],[-0.0379793,-0.0302411,0.0114537,0.00529061]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.09
S298 (cal/mol*K) = -9.71
G298 (kcal/mol) = -4.19

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(815); H(25), C7H10(815); C7H9(5)+H(25)(+M)=>C7H10(815)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.228e+00 -2.325e+00 -2.094e-01 -1.745e-02 / CHEB/ 5.791e+00 1.531e+00 -6.283e-02 -3.392e-02 / CHEB/ 6.524e-01 3.328e-01 -4.244e-02 -4.639e-02 / CHEB/ -2.033e-01 6.674e-02 4.774e-02 9.511e-03 / CHEB/ -1.345e-01 1.166e-02 3.259e-02 1.373e-02 / CHEB/ -3.798e-02 -3.024e-02 1.145e-02 5.291e-03 /

5594.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+0.5	+2.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-0.3	+1.6	+2.2

Chebyshev(coeffs=[[2.27296,-2.33425,-0.211125,-0.0180599],[5.72465,1.53442,-0.059884,-0.0323102],[0.651173,0.334223,-0.0445798,-0.0474591],[-0.203466,0.0672738,0.0477182,0.00943045],[-0.134811,0.0128216,0.0327404,0.0140438],[-0.0381365,-0.0295464,0.0111713,0.00533695]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.76
S298 (cal/mol*K) = -10.19
G298 (kcal/mol) = -4.72

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(816); H(25), C7H10(816); C7H9(5)+H(25)(+M)=>C7H10(816)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.273e+00 -2.334e+00 -2.111e-01 -1.806e-02 / CHEB/ 5.725e+00 1.534e+00 -5.988e-02 -3.231e-02 / CHEB/ 6.512e-01 3.342e-01 -4.458e-02 -4.746e-02 / CHEB/ -2.035e-01 6.727e-02 4.772e-02 9.430e-03 / CHEB/ -1.348e-01 1.282e-02 3.274e-02 1.404e-02 / CHEB/ -3.814e-02 -2.955e-02 1.117e-02 5.337e-03 /

5595.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-3.7	-2.6	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-4.6	-3.1	-2.7

Chebyshev(coeffs=[[-0.930967,-2.53291,-0.249101,-0.0320902],[4.19138,1.5336,0.00264514,0.00412874],[0.497815,0.382845,-0.0789914,-0.0645978],[-0.207185,0.0854297,0.0328568,0.000104337],[-0.14214,0.0394989,0.0380656,0.0218683],[-0.0442946,-0.00742511,0.00601602,0.008951]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.54
S298 (cal/mol*K) = -24.04
G298 (kcal/mol) = -37.37

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(817); H(25), C7H10(817); C7H9(5)+H(25)(+M)=>C7H10(817)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.310e-01 -2.533e+00 -2.491e-01 -3.209e-02 / CHEB/ 4.191e+00 1.534e+00 2.645e-03 4.129e-03 / CHEB/ 4.978e-01 3.828e-01 -7.899e-02 -6.460e-02 / CHEB/ -2.072e-01 8.543e-02 3.286e-02 1.043e-04 / CHEB/ -1.421e-01 3.950e-02 3.807e-02 2.187e-02 / CHEB/ -4.429e-02 -7.425e-03 6.016e-03 8.951e-03 /

5596.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-1.8	+0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-2.6	-0.3	+0.5

Chebyshev(coeffs=[[-0.936437,-2.15398,-0.185969,-0.0106662],[7.11642,1.44916,-0.10275,-0.0561862],[0.665913,0.324241,-0.00559986,-0.0276407],[-0.196537,0.0539226,0.0435514,0.0076101],[-0.142728,-0.00885582,0.0335762,0.00990329],[-0.0208516,-0.0398414,0.0143056,0.00581163]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.76
S298 (cal/mol*K) = -10.19
G298 (kcal/mol) = -4.72

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(818); H(25), C7H10(818); C7H9(5)+H(25)(+M)=>C7H10(818)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.364e-01 -2.154e+00 -1.860e-01 -1.067e-02 / CHEB/ 7.116e+00 1.449e+00 -1.028e-01 -5.619e-02 / CHEB/ 6.659e-01 3.242e-01 -5.600e-03 -2.764e-02 / CHEB/ -1.965e-01 5.392e-02 4.355e-02 7.610e-03 / CHEB/ -1.427e-01 -8.856e-03 3.358e-02 9.903e-03 / CHEB/ -2.085e-02 -3.984e-02 1.431e-02 5.812e-03 /

5597.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-1.2	-0.1	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-2.1	-0.7	-0.2

Chebyshev(coeffs=[[1.58371,-2.52455,-0.247645,-0.031548],[4.15831,1.53621,0.000276315,0.0026718],[0.487395,0.380632,-0.0781381,-0.064205],[-0.212958,0.0842816,0.033936,0.000746592],[-0.144044,0.0383124,0.0379123,0.0215928],[-0.0446972,-0.00859059,0.00612269,0.0087022]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.09
S298 (cal/mol*K) = -16.71
G298 (kcal/mol) = -26.11

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(819); H(25), C7H10(819); C7H9(5)+H(25)(+M)=>C7H10(819)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.584e+00 -2.525e+00 -2.476e-01 -3.155e-02 / CHEB/ 4.158e+00 1.536e+00 2.763e-04 2.672e-03 / CHEB/ 4.874e-01 3.806e-01 -7.814e-02 -6.421e-02 / CHEB/ -2.130e-01 8.428e-02 3.394e-02 7.466e-04 / CHEB/ -1.440e-01 3.831e-02 3.791e-02 2.159e-02 / CHEB/ -4.470e-02 -8.591e-03 6.123e-03 8.702e-03 /

5598.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-2.6	-1.3	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-3.5	-1.8	-1.3

Chebyshev(coeffs=[[-0.0266457,-2.48243,-0.2406,-0.0291428],[4.55845,1.55027,-0.0106102,-0.00433416],[0.589562,0.370362,-0.0732885,-0.0619662],[-0.18334,0.0779747,0.0389697,0.00366235],[-0.140049,0.0317085,0.0373129,0.0202125],[-0.0422209,-0.0145883,0.00681541,0.00755558]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.26
S298 (cal/mol*K) = -19.24
G298 (kcal/mol) = -13.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(618); H(25), C7H10(618); C7H9(5)+H(25)(+M)=>C7H10(618)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.665e-02 -2.482e+00 -2.406e-01 -2.914e-02 / CHEB/ 4.558e+00 1.550e+00 -1.061e-02 -4.334e-03 / CHEB/ 5.896e-01 3.704e-01 -7.329e-02 -6.197e-02 / CHEB/ -1.833e-01 7.797e-02 3.897e-02 3.662e-03 / CHEB/ -1.400e-01 3.171e-02 3.731e-02 2.021e-02 / CHEB/ -4.222e-02 -1.459e-02 6.815e-03 7.556e-03 /

5599.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-0.9	+0.2	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-1.9	-0.4	+0.0

Chebyshev(coeffs=[[1.75207,-2.5198,-0.247162,-0.0315753],[4.27173,1.54172,0.000215884,0.0022136],[0.480609,0.382624,-0.0776917,-0.0641682],[-0.23223,0.0844073,0.0344842,0.000916399],[-0.143769,0.0370438,0.0381282,0.021533],[-0.0337249,-0.0104611,0.00635904,0.00867508]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.38
S298 (cal/mol*K) = -16.61
G298 (kcal/mol) = -25.43

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(820); H(25), C7H10(820); C7H9(5)+H(25)(+M)=>C7H10(820)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.752e+00 -2.520e+00 -2.472e-01 -3.158e-02 / CHEB/ 4.272e+00 1.542e+00 2.159e-04 2.214e-03 / CHEB/ 4.806e-01 3.826e-01 -7.769e-02 -6.417e-02 / CHEB/ -2.322e-01 8.441e-02 3.448e-02 9.164e-04 / CHEB/ -1.438e-01 3.704e-02 3.813e-02 2.153e-02 / CHEB/ -3.372e-02 -1.046e-02 6.359e-03 8.675e-03 /

5600.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	-0.0	+0.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-5.2	-1.0	+0.3	+0.6

Chebyshev(coeffs=[[3.04142,-2.59522,-0.259706,-0.0362782],[3.6521,1.51191,0.0208384,0.0149775],[0.393922,0.401163,-0.083656,-0.066675],[-0.216437,0.0953081,0.0240393,-0.00531623],[-0.14296,0.0479479,0.0389672,0.0235361],[-0.0454755,0.000895519,0.00573872,0.01106]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -41.34
S298 (cal/mol*K) = -20.61
G298 (kcal/mol) = -35.19

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(461); H(25), C7H10(461); C7H9(5)+H(25)(+M)=>C7H10(461)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.041e+00 -2.595e+00 -2.597e-01 -3.628e-02 / CHEB/ 3.652e+00 1.512e+00 2.084e-02 1.498e-02 / CHEB/ 3.939e-01 4.012e-01 -8.366e-02 -6.667e-02 / CHEB/ -2.164e-01 9.531e-02 2.404e-02 -5.316e-03 / CHEB/ -1.430e-01 4.795e-02 3.897e-02 2.354e-02 / CHEB/ -4.548e-02 8.955e-04 5.739e-03 1.106e-02 /

5601.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-2.7	-1.4	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-3.6	-2.0	-1.4

Chebyshev(coeffs=[[-0.293332,-2.47194,-0.238034,-0.0279602],[4.70475,1.5475,-0.0153144,-0.00677306],[0.578751,0.366278,-0.071507,-0.0610025],[-0.201948,0.0778828,0.0400436,0.00438789],[-0.139588,0.0310173,0.0366142,0.0196023],[-0.0416391,-0.0155163,0.00706654,0.00730001]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.61
S298 (cal/mol*K) = -19.12
G298 (kcal/mol) = -14.91

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(821); H(25), C7H10(821); C7H9(5)+H(25)(+M)=>C7H10(821)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.933e-01 -2.472e+00 -2.380e-01 -2.796e-02 / CHEB/ 4.705e+00 1.547e+00 -1.531e-02 -6.773e-03 / CHEB/ 5.788e-01 3.663e-01 -7.151e-02 -6.100e-02 / CHEB/ -2.019e-01 7.788e-02 4.004e-02 4.388e-03 / CHEB/ -1.396e-01 3.102e-02 3.661e-02 1.960e-02 / CHEB/ -4.164e-02 -1.552e-02 7.067e-03 7.300e-03 /

5602.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+5.0	+5.6	+5.5
log₁₀(k(10 bar)/[mole,m,s])	+0.4	+3.9	+4.9	+5.1

Chebyshev(coeffs=[[8.50488,-2.68562,-0.271815,-0.0406482],[2.94125,1.45369,0.0422742,0.0286045],[0.218728,0.414637,-0.0854412,-0.0666515],[-0.238741,0.110238,0.0112994,-0.0134505],[-0.146406,0.0619058,0.0379151,0.0236862],[-0.0514672,0.0152456,0.00581289,0.0138898]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -83.95
S298 (cal/mol*K) = -20.04
G298 (kcal/mol) = -77.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(822); H(25), C7H10(822); C7H9(5)+H(25)(+M)=>C7H10(822)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.505e+00 -2.686e+00 -2.718e-01 -4.065e-02 / CHEB/ 2.941e+00 1.454e+00 4.227e-02 2.860e-02 / CHEB/ 2.187e-01 4.146e-01 -8.544e-02 -6.665e-02 / CHEB/ -2.387e-01 1.102e-01 1.130e-02 -1.345e-02 / CHEB/ -1.464e-01 6.191e-02 3.792e-02 2.369e-02 / CHEB/ -5.147e-02 1.525e-02 5.813e-03 1.389e-02 /

5603.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+2.2	+3.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+1.2	+2.5	+2.9

Chebyshev(coeffs=[[5.30799,-2.59318,-0.26023,-0.0369396],[3.65523,1.52037,0.0229499,0.0154154],[0.417785,0.405959,-0.083478,-0.0668435],[-0.201832,0.0952147,0.023944,-0.00554527],[-0.138772,0.0464673,0.0395434,0.0237593],[-0.0453888,-0.000451606,0.00600447,0.0111869]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -84.71
S298 (cal/mol*K) = -26.44
G298 (kcal/mol) = -76.83

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(454); H(25), C7H10(454); C7H9(5)+H(25)(+M)=>C7H10(454)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.308e+00 -2.593e+00 -2.602e-01 -3.694e-02 / CHEB/ 3.655e+00 1.520e+00 2.295e-02 1.542e-02 / CHEB/ 4.178e-01 4.060e-01 -8.348e-02 -6.684e-02 / CHEB/ -2.018e-01 9.521e-02 2.394e-02 -5.545e-03 / CHEB/ -1.388e-01 4.647e-02 3.954e-02 2.376e-02 / CHEB/ -4.539e-02 -4.516e-04 6.004e-03 1.119e-02 /

5604.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-3.4	-0.6	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-3.9	-0.8	+0.4

Chebyshev(coeffs=[[-5.44744,-1.62003,-0.205432,-0.0430079],[11.7184,1.1008,-0.0788142,-0.0256148],[0.37364,0.305455,0.0421242,-0.0225217],[-0.126582,-0.0168432,0.0501115,0.00249545],[-0.111354,-0.0531924,0.0294501,0.0155943],[-0.0390617,-0.0272484,0.00260757,0.00980705]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.07
S298 (cal/mol*K) = 1.53
G298 (kcal/mol) = 28.62

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(823); H(25), C7H10(823); C7H9(5)+H(25)(+M)=>C7H10(823)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.447e+00 -1.620e+00 -2.054e-01 -4.301e-02 / CHEB/ 1.172e+01 1.101e+00 -7.881e-02 -2.561e-02 / CHEB/ 3.736e-01 3.055e-01 4.212e-02 -2.252e-02 / CHEB/ -1.266e-01 -1.684e-02 5.011e-02 2.495e-03 / CHEB/ -1.114e-01 -5.319e-02 2.945e-02 1.559e-02 / CHEB/ -3.906e-02 -2.725e-02 2.608e-03 9.807e-03 /

5605.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-1.5	+0.7	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-2.2	+0.3	+1.3

Chebyshev(coeffs=[[-1.43604,-1.99262,-0.181825,-0.0150417],[8.38372,1.33977,-0.110508,-0.0584171],[0.628387,0.332034,0.013458,-0.0174208],[-0.149644,0.0345335,0.0422186,0.00360347],[-0.10945,-0.0275221,0.035889,0.00924341],[-0.0387672,-0.0406746,0.012957,0.00782506]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.24
S298 (cal/mol*K) = -0.84
G298 (kcal/mol) = 12.49

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(824); H(25), C7H10(824); C7H9(5)+H(25)(+M)=>C7H10(824)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.436e+00 -1.993e+00 -1.818e-01 -1.504e-02 / CHEB/ 8.384e+00 1.340e+00 -1.105e-01 -5.842e-02 / CHEB/ 6.284e-01 3.320e-01 1.346e-02 -1.742e-02 / CHEB/ -1.496e-01 3.453e-02 4.222e-02 3.603e-03 / CHEB/ -1.094e-01 -2.752e-02 3.589e-02 9.243e-03 / CHEB/ -3.877e-02 -4.067e-02 1.296e-02 7.825e-03 /

5606.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+5.1	+5.9	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+0.0	+4.0	+5.3	+5.6

Chebyshev(coeffs=[[8.26236,-2.62041,-0.263422,-0.0376535],[3.45042,1.49808,0.0271684,0.0189595],[0.353204,0.406085,-0.0846987,-0.066961],[-0.216364,0.099299,0.0203962,-0.00754599],[-0.142013,0.0517065,0.0388845,0.0238552],[-0.0487109,0.00495631,0.00568635,0.011887]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.17
S298 (cal/mol*K) = -5.59
G298 (kcal/mol) = -41.50

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(825); H(25), C7H10(825); C7H9(5)+H(25)(+M)=>C7H10(825)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.262e+00 -2.620e+00 -2.634e-01 -3.765e-02 / CHEB/ 3.450e+00 1.498e+00 2.717e-02 1.896e-02 / CHEB/ 3.532e-01 4.061e-01 -8.470e-02 -6.696e-02 / CHEB/ -2.164e-01 9.930e-02 2.040e-02 -7.546e-03 / CHEB/ -1.420e-01 5.171e-02 3.888e-02 2.386e-02 / CHEB/ -4.871e-02 4.956e-03 5.686e-03 1.189e-02 /

5607.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+3.9	+5.6	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+3.1	+5.2	+5.9

Chebyshev(coeffs=[[5.61888,-2.32612,-0.212099,-0.019772],[5.89267,1.56172,-0.0532705,-0.0308622],[0.747397,0.335666,-0.0452713,-0.0482137],[-0.176544,0.0616406,0.0503526,0.0102143],[-0.126865,0.00786683,0.0337605,0.0142485],[-0.0355567,-0.0330161,0.0109145,0.00518506]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.99
S298 (cal/mol*K) = 0.38
G298 (kcal/mol) = -9.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(826); H(25), C7H10(826); C7H9(5)+H(25)(+M)=>C7H10(826)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.619e+00 -2.326e+00 -2.121e-01 -1.977e-02 / CHEB/ 5.893e+00 1.562e+00 -5.327e-02 -3.086e-02 / CHEB/ 7.474e-01 3.357e-01 -4.527e-02 -4.821e-02 / CHEB/ -1.765e-01 6.164e-02 5.035e-02 1.021e-02 / CHEB/ -1.269e-01 7.867e-03 3.376e-02 1.425e-02 / CHEB/ -3.556e-02 -3.302e-02 1.091e-02 5.185e-03 /

5608.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-0.6	+1.0	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-1.5	+0.5	+1.2

Chebyshev(coeffs=[[1.06609,-2.32907,-0.210872,-0.0184064],[5.85529,1.54234,-0.0586439,-0.0323492],[0.67975,0.334882,-0.044175,-0.0474143],[-0.202173,0.0659673,0.0485764,0.0096806],[-0.131728,0.0109382,0.0329944,0.0140033],[-0.0335586,-0.0311837,0.011219,0.00530039]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.71
S298 (cal/mol*K) = -0.44
G298 (kcal/mol) = -7.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(827); H(25), C7H10(827); C7H9(5)+H(25)(+M)=>C7H10(827)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.066e+00 -2.329e+00 -2.109e-01 -1.841e-02 / CHEB/ 5.855e+00 1.542e+00 -5.864e-02 -3.235e-02 / CHEB/ 6.798e-01 3.349e-01 -4.417e-02 -4.741e-02 / CHEB/ -2.022e-01 6.597e-02 4.858e-02 9.681e-03 / CHEB/ -1.317e-01 1.094e-02 3.299e-02 1.400e-02 / CHEB/ -3.356e-02 -3.118e-02 1.122e-02 5.300e-03 /

5609.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+2.0	+3.6	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-4.8	+1.2	+3.2	+3.9

Chebyshev(coeffs=[[3.74903,-2.33536,-0.21304,-0.0196418],[5.81186,1.55432,-0.0534473,-0.0302013],[0.718766,0.336354,-0.0465691,-0.0487188],[-0.184363,0.064012,0.0493753,0.00985762],[-0.129598,0.0104328,0.0335531,0.0144037],[-0.0364507,-0.0313413,0.0108177,0.00527132]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.99
S298 (cal/mol*K) = 0.38
G298 (kcal/mol) = -9.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(828); H(25), C7H10(828); C7H9(5)+H(25)(+M)=>C7H10(828)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.749e+00 -2.335e+00 -2.130e-01 -1.964e-02 / CHEB/ 5.812e+00 1.554e+00 -5.345e-02 -3.020e-02 / CHEB/ 7.188e-01 3.364e-01 -4.657e-02 -4.872e-02 / CHEB/ -1.844e-01 6.401e-02 4.938e-02 9.858e-03 / CHEB/ -1.296e-01 1.043e-02 3.355e-02 1.440e-02 / CHEB/ -3.645e-02 -3.134e-02 1.082e-02 5.271e-03 /

5610.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+3.9	+4.5	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+2.8	+3.8	+3.9

Chebyshev(coeffs=[[7.4643,-2.6967,-0.272807,-0.0408168],[2.8737,1.44262,0.0438753,0.0299495],[0.193444,0.413052,-0.0854227,-0.0664515],[-0.245954,0.111303,0.0100849,-0.0142602],[-0.147631,0.0637331,0.0375744,0.0234894],[-0.0511856,0.0172474,0.00574523,0.0140972]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -77.89
S298 (cal/mol*K) = -23.40
G298 (kcal/mol) = -70.92

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(829); H(25), C7H10(829); C7H9(5)+H(25)(+M)=>C7H10(829)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.464e+00 -2.697e+00 -2.728e-01 -4.082e-02 / CHEB/ 2.874e+00 1.443e+00 4.388e-02 2.995e-02 / CHEB/ 1.934e-01 4.131e-01 -8.542e-02 -6.645e-02 / CHEB/ -2.460e-01 1.113e-01 1.008e-02 -1.426e-02 / CHEB/ -1.476e-01 6.373e-02 3.757e-02 2.349e-02 / CHEB/ -5.119e-02 1.725e-02 5.745e-03 1.410e-02 /

5634.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+2.8	+3.9	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+1.8	+3.4	+4.3

Chebyshev(coeffs=[[4.86917,-3.04855,-0.551097,-0.0639884],[5.10404,2.50634,0.0469619,-0.0618186],[0.311197,0.135362,0.204075,0.0164259],[-0.00477509,-0.0124663,0.0843072,0.0200551],[0.0131319,0.0619383,0.0219011,0.0113835],[-0.00227674,0.0506039,0.0051365,0.00343137]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.99
S298 (cal/mol*K) = 23.19
G298 (kcal/mol) = -12.90

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(822); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(822)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.869e+00 -3.049e+00 -5.511e-01 -6.399e-02 / CHEB/ 5.104e+00 2.506e+00 4.696e-02 -6.182e-02 / CHEB/ 3.112e-01 1.354e-01 2.041e-01 1.643e-02 / CHEB/ -4.775e-03 -1.247e-02 8.431e-02 2.006e-02 / CHEB/ 1.313e-02 6.194e-02 2.190e-02 1.138e-02 / CHEB/ -2.277e-03 5.060e-02 5.136e-03 3.431e-03 /

5635.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+3.1	+4.2	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+2.1	+3.7	+4.5

Chebyshev(coeffs=[[5.20413,-3.06432,-0.550159,-0.0639585],[5.03782,2.50868,0.0416318,-0.0619436],[0.292222,0.139322,0.203029,0.0159215],[-0.010778,-0.0115651,0.0851171,0.0196427],[0.0111953,0.0615405,0.0224924,0.0113391],[-0.00322748,0.0506819,0.00515871,0.00351991]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.60
S298 (cal/mol*K) = 26.32
G298 (kcal/mol) = -11.44

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(941); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(941)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.204e+00 -3.064e+00 -5.502e-01 -6.396e-02 / CHEB/ 5.038e+00 2.509e+00 4.163e-02 -6.194e-02 / CHEB/ 2.922e-01 1.393e-01 2.030e-01 1.592e-02 / CHEB/ -1.078e-02 -1.157e-02 8.512e-02 1.964e-02 / CHEB/ 1.120e-02 6.154e-02 2.249e-02 1.134e-02 / CHEB/ -3.227e-03 5.068e-02 5.159e-03 3.520e-03 /

5636.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-4.8	-1.8	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-5.3	-2.1	-0.3

Chebyshev(coeffs=[[-7.0773,-1.31075,-0.615753,-0.153067],[12.3493,0.955611,0.380822,0.047052],[0.269344,0.0779654,0.0720685,0.0377838],[0.0699845,0.0575304,0.0294465,0.0104954],[0.0434482,0.0654714,0.0269111,0.00302364],[0.0209135,0.0241931,0.0132966,0.00311335]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.42
S298 (cal/mol*K) = 19.19
G298 (kcal/mol) = 27.71

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(817); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(817)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.077e+00 -1.311e+00 -6.158e-01 -1.531e-01 / CHEB/ 1.235e+01 9.556e-01 3.808e-01 4.705e-02 / CHEB/ 2.693e-01 7.797e-02 7.207e-02 3.778e-02 / CHEB/ 6.998e-02 5.753e-02 2.945e-02 1.050e-02 / CHEB/ 4.345e-02 6.547e-02 2.691e-02 3.024e-03 / CHEB/ 2.091e-02 2.419e-02 1.330e-02 3.113e-03 /

5637.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-7.6	-2.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-22.1	-7.9	-2.9	-0.3

Chebyshev(coeffs=[[-14.9179,-0.53243,-0.311429,-0.125773],[20.3293,0.31509,0.177142,0.0649784],[0.0812886,0.03589,0.0211018,0.00956866],[0.0662035,0.0564136,0.0281764,0.00701756],[0.0520944,0.0419249,0.024811,0.00931385],[0.0258695,0.0082705,0.00737015,0.00477074]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.85
S298 (cal/mol*K) = 35.33
G298 (kcal/mol) = 51.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(780); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(780)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.492e+01 -5.324e-01 -3.114e-01 -1.258e-01 / CHEB/ 2.033e+01 3.151e-01 1.771e-01 6.498e-02 / CHEB/ 8.129e-02 3.589e-02 2.110e-02 9.569e-03 / CHEB/ 6.620e-02 5.641e-02 2.818e-02 7.018e-03 / CHEB/ 5.209e-02 4.192e-02 2.481e-02 9.314e-03 / CHEB/ 2.587e-02 8.270e-03 7.370e-03 4.771e-03 /

5638.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.5	-10.9	-5.2	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-11.1	-5.3	-2.3

Chebyshev(coeffs=[[-20.2518,-0.386768,-0.234276,-0.101255],[23.6177,0.214916,0.127569,0.0524934],[0.128533,0.0257548,0.0123523,0.00311131],[0.081491,0.044989,0.0238687,0.00724102],[0.0543183,0.0315506,0.020674,0.00978865],[0.0250596,0.00581286,0.00575235,0.00421606]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.40
S298 (cal/mol*K) = 32.24
G298 (kcal/mol) = 62.80

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(942); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(942)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.025e+01 -3.868e-01 -2.343e-01 -1.013e-01 / CHEB/ 2.362e+01 2.149e-01 1.276e-01 5.249e-02 / CHEB/ 1.285e-01 2.575e-02 1.235e-02 3.111e-03 / CHEB/ 8.149e-02 4.499e-02 2.387e-02 7.241e-03 / CHEB/ 5.432e-02 3.155e-02 2.067e-02 9.789e-03 / CHEB/ 2.506e-02 5.813e-03 5.752e-03 4.216e-03 /

5639.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-1.7	-0.8	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-1.7	-0.4	+0.3

Chebyshev(coeffs=[[0.631369,-1.07953,-0.558436,-0.0632467],[4.55644,2.47835,0.0370701,-0.0642493],[0.144194,0.142784,0.198005,0.014486],[-0.0583638,-0.00667453,0.0847022,0.0189706],[-0.00443686,0.0631777,0.0233709,0.0110572],[-0.00937623,0.051106,0.00573134,0.00343165]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.27
S298 (cal/mol*K) = -0.05
G298 (kcal/mol) = -1.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(943); H(25), C7H11(943); C7H10(1)+H(25)(+M)=>C7H11(943)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.314e-01 -1.080e+00 -5.584e-01 -6.325e-02 / CHEB/ 4.556e+00 2.478e+00 3.707e-02 -6.425e-02 / CHEB/ 1.442e-01 1.428e-01 1.980e-01 1.449e-02 / CHEB/ -5.836e-02 -6.675e-03 8.470e-02 1.897e-02 / CHEB/ -4.437e-03 6.318e-02 2.337e-02 1.106e-02 / CHEB/ -9.376e-03 5.111e-02 5.731e-03 3.432e-03 /

5640.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.3	-9.8	-4.2	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-9.9	-4.3	-1.4

Chebyshev(coeffs=[[-19.1402,-0.367646,-0.223759,-0.0975928],[23.5948,0.2023,0.12092,0.0504686],[0.0154256,0.0242701,0.0112867,0.00242086],[0.0478545,0.043152,0.0231188,0.00722534],[0.0424545,0.0300838,0.0199745,0.00971346],[0.0205565,0.00557813,0.00554752,0.00410475]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.86
S298 (cal/mol*K) = 41.93
G298 (kcal/mol) = 60.37

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(944); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(944)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.914e+01 -3.676e-01 -2.238e-01 -9.759e-02 / CHEB/ 2.359e+01 2.023e-01 1.209e-01 5.047e-02 / CHEB/ 1.543e-02 2.427e-02 1.129e-02 2.421e-03 / CHEB/ 4.785e-02 4.315e-02 2.312e-02 7.225e-03 / CHEB/ 4.245e-02 3.008e-02 1.997e-02 9.713e-03 / CHEB/ 2.056e-02 5.578e-03 5.548e-03 4.105e-03 /

5641.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+1.0	+2.6	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.2	+0.2	+2.1	+3.1

Chebyshev(coeffs=[[2.4283,-2.66335,-0.636495,-0.0588988],[6.30443,2.18847,0.195432,-0.0768935],[0.362943,0.0911435,0.183092,0.0289576],[0.00180086,0.000562308,0.0608334,0.0256087],[0.0120655,0.0742667,0.0171147,0.00867992],[0.0010835,0.046262,0.00996965,0.00058397]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.39
S298 (cal/mol*K) = 4.22
G298 (kcal/mol) = -32.64

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(945); H(25), C7H11(945); C7H10(1)+H(25)(+M)=>C7H11(945)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.428e+00 -2.663e+00 -6.365e-01 -5.890e-02 / CHEB/ 6.304e+00 2.188e+00 1.954e-01 -7.689e-02 / CHEB/ 3.629e-01 9.114e-02 1.831e-01 2.896e-02 / CHEB/ 1.801e-03 5.623e-04 6.083e-02 2.561e-02 / CHEB/ 1.207e-02 7.427e-02 1.711e-02 8.680e-03 / CHEB/ 1.083e-03 4.626e-02 9.970e-03 5.840e-04 /

5642.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.5	-12.9	-6.8	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-30.7	-13.1	-6.9	-3.6

Chebyshev(coeffs=[[-23.0939,-0.3388,-0.20759,-0.0916994],[25.0121,0.190913,0.115069,0.0488427],[0.225729,0.0212217,0.009465,0.00152314],[0.108247,0.0389736,0.0212211,0.00695099],[0.0598531,0.0267133,0.0182422,0.00933777],[0.0260147,0.00457379,0.00484362,0.00377584]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.25
S298 (cal/mol*K) = 25.99
G298 (kcal/mol) = 68.51

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(946); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(946)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.309e+01 -3.388e-01 -2.076e-01 -9.170e-02 / CHEB/ 2.501e+01 1.909e-01 1.151e-01 4.884e-02 / CHEB/ 2.257e-01 2.122e-02 9.465e-03 1.523e-03 / CHEB/ 1.082e-01 3.897e-02 2.122e-02 6.951e-03 / CHEB/ 5.985e-02 2.671e-02 1.824e-02 9.338e-03 / CHEB/ 2.601e-02 4.574e-03 4.844e-03 3.776e-03 /

5643.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+4.1	+5.5	+5.5
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+3.0	+4.8	+5.1

Chebyshev(coeffs=[[4.19852,-2.94946,-0.417117,0.0232362],[7.59055,1.7375,-0.0704518,-0.117429],[0.0488459,0.470224,0.0970973,0.00116438],[-0.319908,0.0406472,0.0454653,0.0112703],[-0.201843,-0.0146626,0.0266606,0.00114572],[-0.0819334,-0.0150782,0.0112886,0.00173575]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -81.53
S298 (cal/mol*K) = -15.12
G298 (kcal/mol) = -77.02

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(841); H(25), C7H10(841); C7H9(5)+H(25)(+M)=>C7H10(841)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.199e+00 -2.949e+00 -4.171e-01 2.324e-02 / CHEB/ 7.591e+00 1.737e+00 -7.045e-02 -1.174e-01 / CHEB/ 4.885e-02 4.702e-01 9.710e-02 1.164e-03 / CHEB/ -3.199e-01 4.065e-02 4.547e-02 1.127e-02 / CHEB/ -2.018e-01 -1.466e-02 2.666e-02 1.146e-03 / CHEB/ -8.193e-02 -1.508e-02 1.129e-02 1.736e-03 /

5648.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-2.4	+1.1	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-3.0	+0.8	+2.8

Chebyshev(coeffs=[[-4.57781,-1.67502,-0.446942,-0.0446734],[12.5134,1.2752,0.242324,-0.0143169],[0.728462,0.220584,0.0688343,0.00427247],[0.136875,0.0702259,0.0226249,-0.00117278],[0.0189672,0.0213019,0.0244528,0.00273713],[-0.00217901,-0.01394,0.01371,0.00827547]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.76
S298 (cal/mol*K) = 36.02
G298 (kcal/mol) = 14.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(80); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.578e+00 -1.675e+00 -4.469e-01 -4.467e-02 / CHEB/ 1.251e+01 1.275e+00 2.423e-01 -1.432e-02 / CHEB/ 7.285e-01 2.206e-01 6.883e-02 4.272e-03 / CHEB/ 1.369e-01 7.023e-02 2.262e-02 -1.173e-03 / CHEB/ 1.897e-02 2.130e-02 2.445e-02 2.737e-03 / CHEB/ -2.179e-03 -1.394e-02 1.371e-02 8.275e-03 /

5649.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+0.1	+2.6	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-0.7	+2.3	+3.8

Chebyshev(coeffs=[[0.227961,-2.27967,-0.440612,-0.0233344],[8.75557,1.79428,0.177084,-0.0502353],[0.751211,0.210351,0.0970193,0.0257386],[0.0681043,0.0791064,0.0105118,-0.00690121],[-0.0039851,0.0478581,0.0248559,-0.00812839],[-0.00958212,0.00243083,0.0233667,0.00462846]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.52
S298 (cal/mol*K) = 13.00
G298 (kcal/mol) = -16.39

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(434); H(25), C7H11(434); C7H10(1)+H(25)(+M)=>C7H11(434)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.280e-01 -2.280e+00 -4.406e-01 -2.333e-02 / CHEB/ 8.756e+00 1.794e+00 1.771e-01 -5.024e-02 / CHEB/ 7.512e-01 2.104e-01 9.702e-02 2.574e-02 / CHEB/ 6.810e-02 7.911e-02 1.051e-02 -6.901e-03 / CHEB/ -3.985e-03 4.786e-02 2.486e-02 -8.128e-03 / CHEB/ -9.582e-03 2.431e-03 2.337e-02 4.628e-03 /

5650.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.3	+1.9	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-1.1	+1.5	+2.9

Chebyshev(coeffs=[[0.314287,-2.43778,-0.425487,-0.0160181],[7.88851,1.90659,0.135448,-0.0613056],[0.684817,0.2102,0.112964,0.0299808],[0.0367309,0.0830379,0.00561289,-0.00518922],[-0.0169367,0.0566006,0.0223677,-0.0118804],[-0.0146346,0.00945287,0.0257366,0.00227362]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.72
S298 (cal/mol*K) = 11.90
G298 (kcal/mol) = -25.26

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(436); H(25), C7H11(436); C7H10(1)+H(25)(+M)=>C7H11(436)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.143e-01 -2.438e+00 -4.255e-01 -1.602e-02 / CHEB/ 7.889e+00 1.907e+00 1.354e-01 -6.131e-02 / CHEB/ 6.848e-01 2.102e-01 1.130e-01 2.998e-02 / CHEB/ 3.673e-02 8.304e-02 5.613e-03 -5.189e-03 / CHEB/ -1.694e-02 5.660e-02 2.237e-02 -1.188e-02 / CHEB/ -1.463e-02 9.453e-03 2.574e-02 2.274e-03 /

5651.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+0.4	+2.5	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-0.4	+2.0	+3.3

Chebyshev(coeffs=[[1.54554,-2.59146,-0.404247,-0.00944926],[7.09038,2.01609,0.0887228,-0.0700907],[0.630495,0.217962,0.130432,0.0321467],[0.0218312,0.0826239,0.00313001,-0.00178779],[-0.0236046,0.0641544,0.0181864,-0.0149732],[-0.0170424,0.0158965,0.02731,-0.00037909]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.52
S298 (cal/mol*K) = 13.00
G298 (kcal/mol) = -16.39

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(437); H(25), C7H11(437); C7H10(1)+H(25)(+M)=>C7H11(437)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.546e+00 -2.591e+00 -4.042e-01 -9.449e-03 / CHEB/ 7.090e+00 2.016e+00 8.872e-02 -7.009e-02 / CHEB/ 6.305e-01 2.180e-01 1.304e-01 3.215e-02 / CHEB/ 2.183e-02 8.262e-02 3.130e-03 -1.788e-03 / CHEB/ -2.360e-02 6.415e-02 1.819e-02 -1.497e-02 / CHEB/ -1.704e-02 1.590e-02 2.731e-02 -3.791e-04 /

5652.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+3.7	+5.1	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-2.4	+2.6	+4.5	+5.4

Chebyshev(coeffs=[[5.68385,-2.88954,-0.366597,0.00214854],[5.47428,2.13782,-0.00215718,-0.0827471],[0.378908,0.270796,0.150596,0.0324296],[-0.0301873,0.0831062,0.00735839,0.00761428],[-0.0461076,0.0785395,0.00684971,-0.0185098],[-0.0268527,0.0348897,0.0260165,-0.00758861]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -41.43
S298 (cal/mol*K) = 9.34
G298 (kcal/mol) = -44.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(438); H(25), C7H11(438); C7H10(1)+H(25)(+M)=>C7H11(438)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.684e+00 -2.890e+00 -3.666e-01 2.149e-03 / CHEB/ 5.474e+00 2.138e+00 -2.157e-03 -8.275e-02 / CHEB/ 3.789e-01 2.708e-01 1.506e-01 3.243e-02 / CHEB/ -3.019e-02 8.311e-02 7.358e-03 7.614e-03 / CHEB/ -4.611e-02 7.854e-02 6.850e-03 -1.851e-02 / CHEB/ -2.685e-02 3.489e-02 2.602e-02 -7.589e-03 /

5653.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-0.2	+2.6	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-0.9	+2.3	+4.0

Chebyshev(coeffs=[[-1.66721,-1.76654,-0.455606,-0.0443585],[11.0853,1.31579,0.236693,-0.0157665],[0.479429,0.233706,0.0674655,0.00492372],[0.0558554,0.0767877,0.0216047,-0.00298971],[-0.0106536,0.029162,0.025739,0.000532002],[-0.0130303,-0.00890536,0.0162711,0.00739729]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.03
S298 (cal/mol*K) = 47.65
G298 (kcal/mol) = 11.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(81); H(25), CH3(423); C7H10(1)+H(25)(+M)=>C6H8(81)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.667e+00 -1.767e+00 -4.556e-01 -4.436e-02 / CHEB/ 1.109e+01 1.316e+00 2.367e-01 -1.577e-02 / CHEB/ 4.794e-01 2.337e-01 6.747e-02 4.924e-03 / CHEB/ 5.586e-02 7.679e-02 2.160e-02 -2.990e-03 / CHEB/ -1.065e-02 2.916e-02 2.574e-02 5.320e-04 / CHEB/ -1.303e-02 -8.905e-03 1.627e-02 7.397e-03 /

5654.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.2	-5.6	-1.0	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-19.9	-5.9	-1.1	+1.3

Chebyshev(coeffs=[[-12.3188,-0.901796,-0.366741,-0.0604405],[19.3613,0.644907,0.222349,0.00263596],[0.188484,0.140966,0.0556442,0.00903419],[0.0623104,0.0531571,0.0215237,0.00521238],[0.00278014,0.00274514,0.0143205,0.00955011],[-0.0142901,-0.0141226,0.00366092,0.00659936]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.81
S298 (cal/mol*K) = 54.70
G298 (kcal/mol) = 42.51

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H6(62); H(25), C2H5(419); C7H10(1)+H(25)(+M)=>C5H6(62)+C2H5(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.232e+01 -9.018e-01 -3.667e-01 -6.044e-02 / CHEB/ 1.936e+01 6.449e-01 2.223e-01 2.636e-03 / CHEB/ 1.885e-01 1.410e-01 5.564e-02 9.034e-03 / CHEB/ 6.231e-02 5.316e-02 2.152e-02 5.212e-03 / CHEB/ 2.780e-03 2.745e-03 1.432e-02 9.550e-03 / CHEB/ -1.429e-02 -1.412e-02 3.661e-03 6.599e-03 /

5655.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.8	-5.1	-1.3	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-16.8	-5.7	-1.5	+0.7

Chebyshev(coeffs=[[-9.30634,-1.25415,-0.61199,-0.15779],[15.3791,0.81502,0.371009,0.0728039],[0.411702,0.275506,0.133252,0.0322766],[0.151666,0.123994,0.0541556,0.00841028],[0.0275372,-0.01119,0.00313734,0.00681657],[-0.0100841,-0.0420156,-0.0123309,0.00367996]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.08
S298 (cal/mol*K) = 35.43
G298 (kcal/mol) = 33.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(63); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.306e+00 -1.254e+00 -6.120e-01 -1.578e-01 / CHEB/ 1.538e+01 8.150e-01 3.710e-01 7.280e-02 / CHEB/ 4.117e-01 2.755e-01 1.333e-01 3.228e-02 / CHEB/ 1.517e-01 1.240e-01 5.416e-02 8.410e-03 / CHEB/ 2.754e-02 -1.119e-02 3.137e-03 6.817e-03 / CHEB/ -1.008e-02 -4.202e-02 -1.233e-02 3.680e-03 /

5656.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.7	-9.8	-4.2	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-26.2	-10.0	-4.3	-1.4

Chebyshev(coeffs=[[-18.4051,-0.755792,-0.335348,-0.0681601],[22.5179,0.539552,0.208808,0.0138035],[0.366353,0.112806,0.0481526,0.00981777],[0.117902,0.0456884,0.0203935,0.00602444],[0.0211122,0.00254922,0.012179,0.00953202],[-0.00877086,-0.0112439,0.0022578,0.00539178]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.48
S298 (cal/mol*K) = 41.05
G298 (kcal/mol) = 55.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(65); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.841e+01 -7.558e-01 -3.353e-01 -6.816e-02 / CHEB/ 2.252e+01 5.396e-01 2.088e-01 1.380e-02 / CHEB/ 3.664e-01 1.128e-01 4.815e-02 9.818e-03 / CHEB/ 1.179e-01 4.569e-02 2.039e-02 6.024e-03 / CHEB/ 2.111e-02 2.549e-03 1.218e-02 9.532e-03 / CHEB/ -8.771e-03 -1.124e-02 2.258e-03 5.392e-03 /

5657.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.4	-7.5	-1.2	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-25.8	-7.7	-1.3	+1.9

Chebyshev(coeffs=[[-17.9154,-0.59437,-0.290162,-0.0750214],[25.3483,0.426347,0.186334,0.0265606],[0.359316,0.0798224,0.0380742,0.0103815],[0.123085,0.0372527,0.0187787,0.00659956],[0.030457,0.00310125,0.00977116,0.00859841],[-0.00688836,-0.00792351,0.000907765,0.00377373]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.24
S298 (cal/mol*K) = 57.23
G298 (kcal/mol) = 60.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H7(439); H(25), C3H4(73); C7H10(1)+H(25)(+M)=>C3H4(73)+C4H7(439)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.792e+01 -5.944e-01 -2.902e-01 -7.502e-02 / CHEB/ 2.535e+01 4.263e-01 1.863e-01 2.656e-02 / CHEB/ 3.593e-01 7.982e-02 3.807e-02 1.038e-02 / CHEB/ 1.231e-01 3.725e-02 1.878e-02 6.600e-03 / CHEB/ 3.046e-02 3.101e-03 9.771e-03 8.598e-03 / CHEB/ -6.888e-03 -7.924e-03 9.078e-04 3.774e-03 /

5658.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.9	-10.1	-4.5	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-10.4	-4.6	-1.6

Chebyshev(coeffs=[[-18.6573,-0.760273,-0.335831,-0.0675121],[22.4615,0.549947,0.21157,0.0134855],[0.407243,0.112125,0.0484019,0.0102026],[0.141802,0.0436355,0.0198142,0.00615228],[0.0392321,0.00118362,0.0117479,0.00953334],[-0.00397354,-0.0115941,0.00203457,0.00533034]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.82
S298 (cal/mol*K) = 36.34
G298 (kcal/mol) = 55.99

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(71); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.866e+01 -7.603e-01 -3.358e-01 -6.751e-02 / CHEB/ 2.246e+01 5.499e-01 2.116e-01 1.349e-02 / CHEB/ 4.072e-01 1.121e-01 4.840e-02 1.020e-02 / CHEB/ 1.418e-01 4.364e-02 1.981e-02 6.152e-03 / CHEB/ 3.923e-02 1.184e-03 1.175e-02 9.533e-03 / CHEB/ -3.974e-03 -1.159e-02 2.035e-03 5.330e-03 /

5659.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.5	+0.2	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-3.2	-0.2	+1.4

Chebyshev(coeffs=[[-2.72684,-2.17075,-0.451104,-0.0292217],[9.309,1.69075,0.200623,-0.0409717],[0.731569,0.218008,0.0851883,0.0210287],[0.0728494,0.077575,0.0141078,-0.0070359],[-0.00366653,0.0441817,0.025624,-0.00602816],[-0.00964186,-3.33405e-05,0.0218945,0.0054189]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.69
S298 (cal/mol*K) = 13.87
G298 (kcal/mol) = -6.82

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(440); H(25), C7H11(440); C7H10(1)+H(25)(+M)=>C7H11(440)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.727e+00 -2.171e+00 -4.511e-01 -2.922e-02 / CHEB/ 9.309e+00 1.691e+00 2.006e-01 -4.097e-02 / CHEB/ 7.316e-01 2.180e-01 8.519e-02 2.103e-02 / CHEB/ 7.285e-02 7.757e-02 1.411e-02 -7.036e-03 / CHEB/ -3.667e-03 4.418e-02 2.562e-02 -6.028e-03 / CHEB/ -9.642e-03 -3.334e-05 2.189e-02 5.419e-03 /

5660.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	-1.2	+0.8	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-8.1	-2.1	+0.3	+1.5

Chebyshev(coeffs=[[0.0385309,-2.61937,-0.404157,-0.00852073],[6.89152,2.01385,0.0809302,-0.0713213],[0.574223,0.220478,0.130345,0.0323183],[0.00341092,0.084428,0.00249441,-0.0012601],[-0.030539,0.0673885,0.0171738,-0.0156866],[-0.0206532,0.0191216,0.0274905,-0.00135925]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.20
S298 (cal/mol*K) = -0.63
G298 (kcal/mol) = -48.01

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(441); H(25), C7H11(441); C7H10(1)+H(25)(+M)=>C7H11(441)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.853e-02 -2.619e+00 -4.042e-01 -8.521e-03 / CHEB/ 6.892e+00 2.014e+00 8.093e-02 -7.132e-02 / CHEB/ 5.742e-01 2.205e-01 1.303e-01 3.232e-02 / CHEB/ 3.411e-03 8.443e-02 2.494e-03 -1.260e-03 / CHEB/ -3.054e-02 6.739e-02 1.717e-02 -1.569e-02 / CHEB/ -2.065e-02 1.912e-02 2.749e-02 -1.359e-03 /

5661.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.5	-7.6	-2.6	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-23.1	-8.0	-2.7	-0.1

Chebyshev(coeffs=[[-15.6436,-0.818532,-0.431906,-0.136672],[21.2698,0.476022,0.236881,0.0625566],[0.14833,0.212794,0.106685,0.0282338],[0.0898648,0.103779,0.0509732,0.0124497],[0.00676386,-0.0122888,0.000738821,0.00590992],[-0.0180502,-0.0351124,-0.0123293,0.0014855]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.78
S298 (cal/mol*K) = 47.22
G298 (kcal/mol) = 51.71

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(442); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(442)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.564e+01 -8.185e-01 -4.319e-01 -1.367e-01 / CHEB/ 2.127e+01 4.760e-01 2.369e-01 6.256e-02 / CHEB/ 1.483e-01 2.128e-01 1.067e-01 2.823e-02 / CHEB/ 8.986e-02 1.038e-01 5.097e-02 1.245e-02 / CHEB/ 6.764e-03 -1.229e-02 7.388e-04 5.910e-03 / CHEB/ -1.805e-02 -3.511e-02 -1.233e-02 1.485e-03 /

5662.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.4	-13.8	-6.1	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-36.6	-13.9	-6.2	-2.3

Chebyshev(coeffs=[[-28.5834,-0.309932,-0.181115,-0.0719727],[32.0651,0.205517,0.112615,0.0373063],[0.177954,0.0330552,0.0193204,0.00799884],[0.0416022,0.0298302,0.0172328,0.00684855],[-0.00624128,0.00691486,0.00685773,0.00516958],[-0.0151525,-0.00320276,-0.00030913,0.00121395]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.11
S298 (cal/mol*K) = 50.63
G298 (kcal/mol) = 76.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(443); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(443)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.858e+01 -3.099e-01 -1.811e-01 -7.197e-02 / CHEB/ 3.207e+01 2.055e-01 1.126e-01 3.731e-02 / CHEB/ 1.780e-01 3.306e-02 1.932e-02 7.999e-03 / CHEB/ 4.160e-02 2.983e-02 1.723e-02 6.849e-03 / CHEB/ -6.241e-03 6.915e-03 6.858e-03 5.170e-03 / CHEB/ -1.515e-02 -3.203e-03 -3.091e-04 1.214e-03 /

5663.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.2	-10.1	-4.0	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-10.4	-4.1	-0.8

Chebyshev(coeffs=[[-19.6521,-0.675661,-0.31242,-0.0704309],[24.0814,0.50674,0.206723,0.0205593],[0.566659,0.0894161,0.0425684,0.0115711],[0.168374,0.0348824,0.0176174,0.00667109],[0.0337702,0.000118303,0.00977656,0.00898906],[-0.00601484,-0.00988716,0.000852657,0.00419836]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.28
S298 (cal/mol*K) = 40.79
G298 (kcal/mol) = 59.13

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(90); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.965e+01 -6.757e-01 -3.124e-01 -7.043e-02 / CHEB/ 2.408e+01 5.067e-01 2.067e-01 2.056e-02 / CHEB/ 5.667e-01 8.942e-02 4.257e-02 1.157e-02 / CHEB/ 1.684e-01 3.488e-02 1.762e-02 6.671e-03 / CHEB/ 3.377e-02 1.183e-04 9.777e-03 8.989e-03 / CHEB/ -6.015e-03 -9.887e-03 8.527e-04 4.198e-03 /

5664.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-2.3	+0.4	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-3.0	+0.0	+1.6

Chebyshev(coeffs=[[-2.75643,-2.07494,-0.459507,-0.0347846],[9.66425,1.58106,0.215573,-0.0321383],[0.63496,0.229715,0.0756781,0.0158119],[0.0577536,0.0784778,0.0166645,-0.0065194],[-0.0109373,0.0427264,0.026022,-0.00474745],[-0.012892,-0.000488638,0.0209502,0.00560025]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.16
S298 (cal/mol*K) = 11.64
G298 (kcal/mol) = -5.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(449); H(25), C7H11(449); C7H10(1)+H(25)(+M)=>C7H11(449)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.756e+00 -2.075e+00 -4.595e-01 -3.478e-02 / CHEB/ 9.664e+00 1.581e+00 2.156e-01 -3.214e-02 / CHEB/ 6.350e-01 2.297e-01 7.568e-02 1.581e-02 / CHEB/ 5.775e-02 7.848e-02 1.666e-02 -6.519e-03 / CHEB/ -1.094e-02 4.273e-02 2.602e-02 -4.747e-03 / CHEB/ -1.289e-02 -4.886e-04 2.095e-02 5.600e-03 /

5665.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.2	-9.3	-2.4	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-29.5	-9.5	-2.5	+1.0

Chebyshev(coeffs=[[-21.4866,-0.470368,-0.247558,-0.0771813],[28.0297,0.336088,0.161327,0.0346581],[0.381507,0.0558044,0.0294074,0.0100612],[0.109485,0.0327423,0.017784,0.00672721],[0.0140483,0.00478627,0.00833906,0.00726287],[-0.0108732,-0.0055724,0.000158006,0.00250456]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.24
S298 (cal/mol*K) = 57.23
G298 (kcal/mol) = 60.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(450); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(450)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.149e+01 -4.704e-01 -2.476e-01 -7.718e-02 / CHEB/ 2.803e+01 3.361e-01 1.613e-01 3.466e-02 / CHEB/ 3.815e-01 5.580e-02 2.941e-02 1.006e-02 / CHEB/ 1.095e-01 3.274e-02 1.778e-02 6.727e-03 / CHEB/ 1.405e-02 4.786e-03 8.339e-03 7.263e-03 / CHEB/ -1.087e-02 -5.572e-03 1.580e-04 2.505e-03 /

5666.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-3.0	-0.8	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-3.9	-1.3	+0.1

Chebyshev(coeffs=[[-2.41815,-2.43287,-0.430429,-0.0165146],[7.85703,1.88069,0.138223,-0.0607598],[0.633631,0.213682,0.109023,0.0296961],[0.0199833,0.0847728,0.00568542,-0.00547008],[-0.0236466,0.0581505,0.0222865,-0.0120894],[-0.0178791,0.0112953,0.0258026,0.00183149]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.27
S298 (cal/mol*K) = 8.26
G298 (kcal/mol) = -9.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(451); H(25), C7H11(451); C7H10(1)+H(25)(+M)=>C7H11(451)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.418e+00 -2.433e+00 -4.304e-01 -1.651e-02 / CHEB/ 7.857e+00 1.881e+00 1.382e-01 -6.076e-02 / CHEB/ 6.336e-01 2.137e-01 1.090e-01 2.970e-02 / CHEB/ 1.998e-02 8.477e-02 5.685e-03 -5.470e-03 / CHEB/ -2.365e-02 5.815e-02 2.229e-02 -1.209e-02 / CHEB/ -1.788e-02 1.130e-02 2.580e-02 1.831e-03 /

5667.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-0.0	+2.3	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-0.8	+2.0	+3.4

Chebyshev(coeffs=[[0.122697,-2.39247,-0.830226,-0.0786794],[8.50574,1.92798,0.484781,-0.0529763],[0.62417,0.266512,0.209036,0.056035],[0.14096,0.0856719,0.043964,0.0161775],[0.0277623,0.00931781,0.00556094,0.00688518],[-0.00885346,-0.027441,-0.00442539,0.0044025]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.88
S298 (cal/mol*K) = 32.98
G298 (kcal/mol) = -0.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(79); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.227e-01 -2.392e+00 -8.302e-01 -7.868e-02 / CHEB/ 8.506e+00 1.928e+00 4.848e-01 -5.298e-02 / CHEB/ 6.242e-01 2.665e-01 2.090e-01 5.604e-02 / CHEB/ 1.410e-01 8.567e-02 4.396e-02 1.618e-02 / CHEB/ 2.776e-02 9.318e-03 5.561e-03 6.885e-03 / CHEB/ -8.853e-03 -2.744e-02 -4.425e-03 4.402e-03 /

5668.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+1.5	+3.8	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-6.0	+0.7	+3.3	+4.7

Chebyshev(coeffs=[[2.15345,-2.44651,-0.424047,-0.0156074],[7.84639,1.91487,0.132801,-0.0618752],[0.68597,0.210058,0.114239,0.0301683],[0.0372625,0.0829348,0.00539581,-0.00501745],[-0.0165166,0.0568601,0.0221895,-0.0120465],[-0.0144522,0.00962933,0.0258345,0.00218002]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.46
S298 (cal/mol*K) = 41.97
G298 (kcal/mol) = -12.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(94); H(25), CH3(423); C7H10(1)+H(25)(+M)=>C6H8(94)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.153e+00 -2.447e+00 -4.240e-01 -1.561e-02 / CHEB/ 7.846e+00 1.915e+00 1.328e-01 -6.188e-02 / CHEB/ 6.860e-01 2.101e-01 1.142e-01 3.017e-02 / CHEB/ 3.726e-02 8.293e-02 5.396e-03 -5.017e-03 / CHEB/ -1.652e-02 5.686e-02 2.219e-02 -1.205e-02 / CHEB/ -1.445e-02 9.629e-03 2.583e-02 2.180e-03 /

5669.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.2	-13.3	-5.6	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-36.4	-13.5	-5.7	-1.8

Chebyshev(coeffs=[[-28.3034,-0.304321,-0.17849,-0.0714981],[32.2638,0.201182,0.110765,0.0371817],[0.177704,0.0323274,0.018975,0.00791465],[0.0410459,0.029632,0.0171632,0.00684751],[-0.00639151,0.00692306,0.0067812,0.00508256],[-0.0150901,-0.00314182,-0.000328992,0.00116678]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.95
S298 (cal/mol*K) = 53.67
G298 (kcal/mol) = 75.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H5(99); H(25), C3H6(453); C7H10(1)+H(25)(+M)=>C4H5(99)+C3H6(453)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.830e+01 -3.043e-01 -1.785e-01 -7.150e-02 / CHEB/ 3.226e+01 2.012e-01 1.108e-01 3.718e-02 / CHEB/ 1.777e-01 3.233e-02 1.898e-02 7.915e-03 / CHEB/ 4.105e-02 2.963e-02 1.716e-02 6.848e-03 / CHEB/ -6.392e-03 6.923e-03 6.781e-03 5.083e-03 / CHEB/ -1.509e-02 -3.142e-03 -3.290e-04 1.167e-03 /

5674.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+0.2	+2.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-0.4	+1.7	+2.8

Chebyshev(coeffs=[[2.0632,-1.91779,-0.304762,0.0069214],[5.96809,1.28364,-0.093716,-0.108733],[0.745491,0.387316,0.137624,-0.0144536],[0.0279386,-0.0251361,0.0682899,0.0210021],[0.0075463,-0.058184,0.00800549,0.0147349],[0.014864,-0.0152269,-0.00616479,0.00386201]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.51
S298 (cal/mol*K) = -3.23
G298 (kcal/mol) = 5.47

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H7(651); C2H4(115), CH3(423); C2H4(115)+C5H6(62)(+M)=>CH3(423)+C6H7(651)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.063e+00 -1.918e+00 -3.048e-01 6.921e-03 / CHEB/ 5.968e+00 1.284e+00 -9.372e-02 -1.087e-01 / CHEB/ 7.455e-01 3.873e-01 1.376e-01 -1.445e-02 / CHEB/ 2.794e-02 -2.514e-02 6.829e-02 2.100e-02 / CHEB/ 7.546e-03 -5.818e-02 8.005e-03 1.473e-02 / CHEB/ 1.486e-02 -1.523e-02 -6.165e-03 3.862e-03 /

5675.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+1.3	+2.7	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+0.6	+2.3	+3.2

Chebyshev(coeffs=[[3.85921,-1.94774,-0.291323,0.00975781],[4.7279,1.26293,-0.117526,-0.108868],[0.58955,0.408488,0.132748,-0.017966],[-0.0252691,-0.0115655,0.0717021,0.0198554],[-0.00870194,-0.055634,0.0114501,0.0142424],[0.0130536,-0.0164346,-0.0049687,0.0038415]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.07
S298 (cal/mol*K) = 1.15
G298 (kcal/mol) = -0.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H5(652); C2H4(115), C2H5(419); C2H4(115)+C5H6(62)(+M)=>C2H5(419)+C5H5(652)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.859e+00 -1.948e+00 -2.913e-01 9.758e-03 / CHEB/ 4.728e+00 1.263e+00 -1.175e-01 -1.089e-01 / CHEB/ 5.895e-01 4.085e-01 1.327e-01 -1.797e-02 / CHEB/ -2.527e-02 -1.157e-02 7.170e-02 1.986e-02 / CHEB/ -8.702e-03 -5.563e-02 1.145e-02 1.424e-02 / CHEB/ 1.305e-02 -1.643e-02 -4.969e-03 3.842e-03 /

5676.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-1.5	+0.6	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-2.2	+0.3	+1.7

Chebyshev(coeffs=[[-0.344047,-1.8817,-0.321396,0.0039083],[7.06216,1.29929,-0.0644524,-0.108204],[0.831129,0.362336,0.140995,-0.0109375],[0.0683122,-0.0378137,0.0640046,0.0224389],[0.0178247,-0.0595168,0.00427534,0.0151462],[0.0142137,-0.013449,-0.00718412,0.00357556]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.27
S298 (cal/mol*K) = -11.12
G298 (kcal/mol) = 12.58

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(653); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(653)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.440e-01 -1.882e+00 -3.214e-01 3.908e-03 / CHEB/ 7.062e+00 1.299e+00 -6.445e-02 -1.082e-01 / CHEB/ 8.311e-01 3.623e-01 1.410e-01 -1.094e-02 / CHEB/ 6.831e-02 -3.781e-02 6.400e-02 2.244e-02 / CHEB/ 1.782e-02 -5.952e-02 4.275e-03 1.515e-02 / CHEB/ 1.421e-02 -1.345e-02 -7.184e-03 3.576e-03 /

5677.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.9	+0.8	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-2.4	+0.6	+2.1

Chebyshev(coeffs=[[-2.48747,-1.66093,-0.401859,-0.00619706],[9.87366,1.25484,0.0819422,-0.108447],[0.640423,0.259809,0.139346,0.00781284],[0.0847488,-0.0720304,0.0381796,0.0289536],[0.0100848,-0.0541085,-0.00912791,0.0125756],[-0.00667401,-0.00354935,-0.00781424,0.000144239]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.41
S298 (cal/mol*K) = 4.10
G298 (kcal/mol) = 22.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(654); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C2H3(100)+C5H7(654)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.487e+00 -1.661e+00 -4.019e-01 -6.197e-03 / CHEB/ 9.874e+00 1.255e+00 8.194e-02 -1.084e-01 / CHEB/ 6.404e-01 2.598e-01 1.393e-01 7.813e-03 / CHEB/ 8.475e-02 -7.203e-02 3.818e-02 2.895e-02 / CHEB/ 1.008e-02 -5.411e-02 -9.128e-03 1.258e-02 / CHEB/ -6.674e-03 -3.549e-03 -7.814e-03 1.442e-04 /

5678.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-2.6	+0.0	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-3.2	-0.2	+1.3

Chebyshev(coeffs=[[-2.62404,-1.77219,-0.365909,-0.00159231],[8.98914,1.29752,0.0147257,-0.108528],[0.81909,0.302264,0.143199,-0.00153143],[0.10861,-0.0605402,0.0507778,0.0264588],[0.0230244,-0.0582142,-0.00394651,0.014696],[0.00554293,-0.00814224,-0.00828109,0.0018746]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.21
S298 (cal/mol*K) = -9.37
G298 (kcal/mol) = 21.00

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(655); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(655)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.624e+00 -1.772e+00 -3.659e-01 -1.592e-03 / CHEB/ 8.989e+00 1.298e+00 1.473e-02 -1.085e-01 / CHEB/ 8.191e-01 3.023e-01 1.432e-01 -1.531e-03 / CHEB/ 1.086e-01 -6.054e-02 5.078e-02 2.646e-02 / CHEB/ 2.302e-02 -5.821e-02 -3.947e-03 1.470e-02 / CHEB/ 5.543e-03 -8.142e-03 -8.281e-03 1.875e-03 /

5679.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.2	-6.7	-2.7	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-18.3	-7.0	-2.9	-0.7

Chebyshev(coeffs=[[-10.3545,-1.2945,-0.464038,-0.0435934],[14.8256,1.0185,0.23493,-0.0695631],[0.65932,0.170655,0.109876,0.0287775],[0.128712,-0.0805385,0.00486268,0.0260226],[0.0151816,-0.0355749,-0.0147306,0.00342509],[-0.0177561,0.00666054,-0.00263028,-0.00258388]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.13
S298 (cal/mol*K) = -9.88
G298 (kcal/mol) = 44.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(656); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(656)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.035e+01 -1.294e+00 -4.640e-01 -4.359e-02 / CHEB/ 1.483e+01 1.018e+00 2.349e-01 -6.956e-02 / CHEB/ 6.593e-01 1.707e-01 1.099e-01 2.878e-02 / CHEB/ 1.287e-01 -8.054e-02 4.863e-03 2.602e-02 / CHEB/ 1.518e-02 -3.557e-02 -1.473e-02 3.425e-03 / CHEB/ -1.776e-02 6.661e-03 -2.630e-03 -2.584e-03 /

5680.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+1.1	+2.6	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+0.4	+2.2	+3.2

Chebyshev(coeffs=[[3.80729,-2.00045,-0.271976,0.0148927],[4.64645,1.21293,-0.152975,-0.107472],[0.709939,0.439912,0.118559,-0.0251798],[0.0177408,0.0185273,0.0765346,0.0174582],[0.00438273,-0.0463599,0.0178275,0.0134376],[0.0243092,-0.016794,-0.00216236,0.0032071]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.52
S298 (cal/mol*K) = -28.92
G298 (kcal/mol) = -4.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(657); C5H6(62), C7H10(657); C2H4(115)+C5H6(62)(+M)=>C7H10(657)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.807e+00 -2.000e+00 -2.720e-01 1.489e-02 / CHEB/ 4.646e+00 1.213e+00 -1.530e-01 -1.075e-01 / CHEB/ 7.099e-01 4.399e-01 1.186e-01 -2.518e-02 / CHEB/ 1.774e-02 1.853e-02 7.653e-02 1.746e-02 / CHEB/ 4.383e-03 -4.636e-02 1.783e-02 1.344e-02 / CHEB/ 2.431e-02 -1.679e-02 -2.162e-03 3.207e-03 /

5681.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-7.4	-4.2	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-7.9	-4.4	-2.6

Chebyshev(coeffs=[[-9.24267,-1.53587,-0.4328,-0.0149866],[11.8346,1.18492,0.145647,-0.102114],[0.695194,0.223434,0.131242,0.0170077],[0.120892,-0.0785706,0.0253314,0.0296863],[0.0180281,-0.0482613,-0.0126704,0.00945643],[-0.0100052,0.000744071,-0.00640862,-0.00133386]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.05
S298 (cal/mol*K) = -28.11
G298 (kcal/mol) = 19.43

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(658); C5H6(62), C7H10(658); C2H4(115)+C5H6(62)(+M)=>C7H10(658)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.243e+00 -1.536e+00 -4.328e-01 -1.499e-02 / CHEB/ 1.183e+01 1.185e+00 1.456e-01 -1.021e-01 / CHEB/ 6.952e-01 2.234e-01 1.312e-01 1.701e-02 / CHEB/ 1.209e-01 -7.857e-02 2.533e-02 2.969e-02 / CHEB/ 1.803e-02 -4.826e-02 -1.267e-02 9.456e-03 / CHEB/ -1.001e-02 7.441e-04 -6.409e-03 -1.334e-03 /

5682.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-4.6	-2.4	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-5.2	-2.7	-1.4

Chebyshev(coeffs=[[-3.16703,-1.91357,-0.305863,0.0066054],[6.72957,1.28663,-0.0910076,-0.108664],[0.92641,0.384821,0.138516,-0.0139528],[0.073444,-0.0270401,0.0678686,0.0212453],[0.0123416,-0.0584072,0.00758043,0.0147836],[-0.00758545,-0.0146935,-0.00634456,0.00380608]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.61
S298 (cal/mol*K) = -32.75
G298 (kcal/mol) = 5.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(425); C5H6(62), C7H10(425); C2H4(115)+C5H6(62)(+M)=>C7H10(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.167e+00 -1.914e+00 -3.059e-01 6.605e-03 / CHEB/ 6.730e+00 1.287e+00 -9.101e-02 -1.087e-01 / CHEB/ 9.264e-01 3.848e-01 1.385e-01 -1.395e-02 / CHEB/ 7.344e-02 -2.704e-02 6.787e-02 2.125e-02 / CHEB/ 1.234e-02 -5.841e-02 7.580e-03 1.478e-02 / CHEB/ -7.585e-03 -1.469e-02 -6.345e-03 3.806e-03 /

5683.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	-1.3	+0.1	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-2.1	-0.3	+0.5

Chebyshev(coeffs=[[1.65484,-2.01878,-0.266831,0.0166787],[4.22771,1.19262,-0.162993,-0.106509],[0.640944,0.447814,0.112417,-0.027714],[0.00451049,0.0300181,0.0774735,0.0163787],[-0.000492134,-0.0414258,0.0200068,0.0131962],[0.0243803,-0.016016,-0.00102563,0.00288462]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.52
S298 (cal/mol*K) = -28.92
G298 (kcal/mol) = -4.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(659); C5H6(62), C7H10(659); C2H4(115)+C5H6(62)(+M)=>C7H10(659)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.655e+00 -2.019e+00 -2.668e-01 1.668e-02 / CHEB/ 4.228e+00 1.193e+00 -1.630e-01 -1.065e-01 / CHEB/ 6.409e-01 4.478e-01 1.124e-01 -2.771e-02 / CHEB/ 4.510e-03 3.002e-02 7.747e-02 1.638e-02 / CHEB/ -4.921e-04 -4.143e-02 2.001e-02 1.320e-02 / CHEB/ 2.438e-02 -1.602e-02 -1.026e-03 2.885e-03 /

5684.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-5.8	-3.3	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-6.4	-3.6	-2.2

Chebyshev(coeffs=[[-5.11346,-1.83902,-0.339974,0.00123066],[7.9669,1.30584,-0.0316915,-0.107952],[0.850475,0.336035,0.142892,-0.00723265],[0.0929621,-0.0488154,0.0588161,0.0241374],[0.0223051,-0.0596159,0.00057277,0.0152535],[0.0112847,-0.0112973,-0.00789608,0.00298156]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.79
S298 (cal/mol*K) = -32.07
G298 (kcal/mol) = 16.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(427); C5H6(62), C7H10(427); C2H4(115)+C5H6(62)(+M)=>C7H10(427)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.113e+00 -1.839e+00 -3.400e-01 1.231e-03 / CHEB/ 7.967e+00 1.306e+00 -3.169e-02 -1.080e-01 / CHEB/ 8.505e-01 3.360e-01 1.429e-01 -7.233e-03 / CHEB/ 9.296e-02 -4.882e-02 5.882e-02 2.414e-02 / CHEB/ 2.231e-02 -5.962e-02 5.728e-04 1.525e-02 / CHEB/ 1.128e-02 -1.130e-02 -7.896e-03 2.982e-03 /

5685.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	-0.3	+0.8	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-5.1	-1.2	+0.4	+1.1

Chebyshev(coeffs=[[2.86303,-2.03046,-0.263938,0.0178193],[3.72614,1.17907,-0.168833,-0.105785],[0.539061,0.451911,0.108329,-0.0292808],[-0.020539,0.0373843,0.0778163,0.0156193],[-0.00892069,-0.0378223,0.0213433,0.0130387],[0.0223849,-0.0151964,-0.000269493,0.00266958]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.17
S298 (cal/mol*K) = -27.20
G298 (kcal/mol) = -8.06

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(660); C5H6(62), C7H10(660); C2H4(115)+C5H6(62)(+M)=>C7H10(660)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.863e+00 -2.030e+00 -2.639e-01 1.782e-02 / CHEB/ 3.726e+00 1.179e+00 -1.688e-01 -1.058e-01 / CHEB/ 5.391e-01 4.519e-01 1.083e-01 -2.928e-02 / CHEB/ -2.054e-02 3.738e-02 7.782e-02 1.562e-02 / CHEB/ -8.921e-03 -3.782e-02 2.134e-02 1.304e-02 / CHEB/ 2.238e-02 -1.520e-02 -2.695e-04 2.670e-03 /

5686.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-3.8	-1.6	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-4.4	-1.9	-0.7

Chebyshev(coeffs=[[-2.42115,-1.89099,-0.31716,0.00462215],[6.84812,1.29623,-0.0718991,-0.108335],[0.824264,0.36857,0.140323,-0.0117882],[0.0621076,-0.0348933,0.0651211,0.0220636],[0.0166139,-0.059313,0.00518239,0.0150672],[0.014846,-0.0139194,-0.00696268,0.00367469]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.73
S298 (cal/mol*K) = -27.61
G298 (kcal/mol) = 9.96

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(661); C5H6(62), C7H10(661); C2H4(115)+C5H6(62)(+M)=>C7H10(661)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.421e+00 -1.891e+00 -3.172e-01 4.622e-03 / CHEB/ 6.848e+00 1.296e+00 -7.190e-02 -1.083e-01 / CHEB/ 8.243e-01 3.686e-01 1.403e-01 -1.179e-02 / CHEB/ 6.211e-02 -3.489e-02 6.512e-02 2.206e-02 / CHEB/ 1.661e-02 -5.931e-02 5.182e-03 1.507e-02 / CHEB/ 1.485e-02 -1.392e-02 -6.963e-03 3.675e-03 /

5687.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	-6.0	-2.5	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-6.4	-2.7	-0.9

Chebyshev(coeffs=[[-8.85024,-1.36022,-0.459386,-0.0346571],[13.3641,1.06666,0.215156,-0.0806381],[0.526327,0.183286,0.116157,0.0263835],[0.086398,-0.0810434,0.00980408,0.0275792],[0.00238434,-0.0390754,-0.0146975,0.00495953],[-0.020968,0.00533703,-0.00370101,-0.00244887]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.23
S298 (cal/mol*K) = -3.29
G298 (kcal/mol) = 38.21

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(662); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>CH2(137)+C6H8(662)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.850e+00 -1.360e+00 -4.594e-01 -3.466e-02 / CHEB/ 1.336e+01 1.067e+00 2.152e-01 -8.064e-02 / CHEB/ 5.263e-01 1.833e-01 1.162e-01 2.638e-02 / CHEB/ 8.640e-02 -8.104e-02 9.804e-03 2.758e-02 / CHEB/ 2.384e-03 -3.908e-02 -1.470e-02 4.960e-03 / CHEB/ -2.097e-02 5.337e-03 -3.701e-03 -2.449e-03 /

5688.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-0.5	+0.6	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-5.4	-1.4	+0.2	+1.0

Chebyshev(coeffs=[[2.58725,-2.04968,-0.259757,0.0197031],[3.8493,1.15585,-0.177629,-0.104424],[0.571777,0.457025,0.101436,-0.0317383],[-0.00279276,0.049349,0.0779374,0.014264],[-0.0029052,-0.0311832,0.0234054,0.0127559],[0.0258401,-0.0132392,0.00100935,0.00230769]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.37
S298 (cal/mol*K) = -22.75
G298 (kcal/mol) = -11.58

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(663); C5H6(62), C7H10(663); C2H4(115)+C5H6(62)(+M)=>C7H10(663)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.587e+00 -2.050e+00 -2.598e-01 1.970e-02 / CHEB/ 3.849e+00 1.156e+00 -1.776e-01 -1.044e-01 / CHEB/ 5.718e-01 4.570e-01 1.014e-01 -3.174e-02 / CHEB/ -2.793e-03 4.935e-02 7.794e-02 1.426e-02 / CHEB/ -2.905e-03 -3.118e-02 2.341e-02 1.276e-02 / CHEB/ 2.584e-02 -1.324e-02 1.009e-03 2.308e-03 /

5689.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+1.3	+2.2	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+0.4	+1.7	+2.4

Chebyshev(coeffs=[[4.87479,-2.09395,-0.25081,0.024331],[3.12034,1.09974,-0.194553,-0.100347],[0.395688,0.464522,0.085395,-0.0369584],[-0.0307078,0.0773998,0.0767781,0.0107443],[-0.00559551,-0.0127552,0.0276063,0.0120698],[0.0232593,-0.00646404,0.00397846,0.00155118]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.73
S298 (cal/mol*K) = -37.17
G298 (kcal/mol) = -60.66

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(664); C5H6(62), C7H10(664); C2H4(115)+C5H6(62)(+M)=>C7H10(664)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.875e+00 -2.094e+00 -2.508e-01 2.433e-02 / CHEB/ 3.120e+00 1.100e+00 -1.946e-01 -1.003e-01 / CHEB/ 3.957e-01 4.645e-01 8.540e-02 -3.696e-02 / CHEB/ -3.071e-02 7.740e-02 7.678e-02 1.074e-02 / CHEB/ -5.596e-03 -1.276e-02 2.761e-02 1.207e-02 / CHEB/ 2.326e-02 -6.464e-03 3.978e-03 1.551e-03 /

5690.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-1.5	+0.7	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-2.1	+0.4	+1.7

Chebyshev(coeffs=[[-0.622118,-1.84863,-0.33593,0.00175271],[7.4861,1.30534,-0.0388448,-0.107952],[0.783913,0.341612,0.142609,-0.00805243],[0.0692447,-0.0466382,0.0599876,0.0237639],[0.0152318,-0.0596889,0.00134334,0.015265],[0.00976183,-0.0117762,-0.00777499,0.00312959]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.16
S298 (cal/mol*K) = -13.18
G298 (kcal/mol) = 10.09

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(665); C5H6(62), C7H10(665); C2H4(115)+C5H6(62)(+M)=>C7H10(665)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.221e-01 -1.849e+00 -3.359e-01 1.753e-03 / CHEB/ 7.486e+00 1.305e+00 -3.884e-02 -1.080e-01 / CHEB/ 7.839e-01 3.416e-01 1.426e-01 -8.052e-03 / CHEB/ 6.924e-02 -4.664e-02 5.999e-02 2.376e-02 / CHEB/ 1.523e-02 -5.969e-02 1.343e-03 1.527e-02 / CHEB/ 9.762e-03 -1.178e-02 -7.775e-03 3.130e-03 /

5691.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-3.3	-0.7	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.8	-1.0	+0.5

Chebyshev(coeffs=[[-2.98531,-1.79947,-0.355766,-0.000558466],[8.56746,1.30309,-0.00356505,-0.10822],[0.827196,0.315078,0.143382,-0.00386479],[0.10165,-0.0563697,0.0540275,0.0255774],[0.0223549,-0.0589358,-0.00226321,0.015014],[0.00760985,-0.00939246,-0.0082075,0.0023331]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.44
S298 (cal/mol*K) = -31.98
G298 (kcal/mol) = 20.97

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(666); C5H6(62), C7H10(666); C2H4(115)+C5H6(62)(+M)=>C7H10(666)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.985e+00 -1.799e+00 -3.558e-01 -5.585e-04 / CHEB/ 8.567e+00 1.303e+00 -3.565e-03 -1.082e-01 / CHEB/ 8.272e-01 3.151e-01 1.434e-01 -3.865e-03 / CHEB/ 1.017e-01 -5.637e-02 5.403e-02 2.558e-02 / CHEB/ 2.235e-02 -5.894e-02 -2.263e-03 1.501e-02 / CHEB/ 7.610e-03 -9.392e-03 -8.208e-03 2.333e-03 /

5692.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+2.6	+3.1	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+1.6	+2.5	+3.0

Chebyshev(coeffs=[[6.39863,-2.14034,-0.246764,0.028836],[2.53474,1.03383,-0.209178,-0.0955572],[0.202725,0.454833,0.0692636,-0.0405258],[-0.0890431,0.0963353,0.0721503,0.00702993],[-0.0276619,0.00711394,0.0295505,0.010662],[0.0208164,0.00599474,0.00655207,0.000445154]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -74.29
S298 (cal/mol*K) = -45.24
G298 (kcal/mol) = -60.81

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(667); C5H6(62), C7H10(667); C2H4(115)+C5H6(62)(+M)=>C7H10(667)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.399e+00 -2.140e+00 -2.468e-01 2.884e-02 / CHEB/ 2.535e+00 1.034e+00 -2.092e-01 -9.556e-02 / CHEB/ 2.027e-01 4.548e-01 6.926e-02 -4.053e-02 / CHEB/ -8.904e-02 9.634e-02 7.215e-02 7.030e-03 / CHEB/ -2.766e-02 7.114e-03 2.955e-02 1.066e-02 / CHEB/ 2.082e-02 5.995e-03 6.552e-03 4.452e-04 /

5693.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+3.0	+3.9	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+2.6	+3.8	+4.4

Chebyshev(coeffs=[[7.40499,-0.963611,-0.540236,-0.194195],[2.18408,0.585302,0.32023,0.106608],[0.648748,0.223581,0.112585,0.0296556],[0.172224,0.109727,0.0576715,0.0170721],[0.00237648,-0.0161095,-0.000206366,0.00727686],[-0.0288251,-0.0403609,-0.0165938,-0.000714957]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.67
S298 (cal/mol*K) = -1.14
G298 (kcal/mol) = -26.33

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(572); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C5H8(572)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.405e+00 -9.636e-01 -5.402e-01 -1.942e-01 / CHEB/ 2.184e+00 5.853e-01 3.202e-01 1.066e-01 / CHEB/ 6.487e-01 2.236e-01 1.126e-01 2.966e-02 / CHEB/ 1.722e-01 1.097e-01 5.767e-02 1.707e-02 / CHEB/ 2.376e-03 -1.611e-02 -2.064e-04 7.277e-03 / CHEB/ -2.883e-02 -4.036e-02 -1.659e-02 -7.150e-04 /

5694.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-3.5	-0.0	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-3.6	-0.1	+1.7

Chebyshev(coeffs=[[-6.06197,-0.348846,-0.219699,-0.101928],[13.1971,0.173351,0.105953,0.0460636],[0.461862,0.0950613,0.0567307,0.0235161],[0.120828,0.0522065,0.0333996,0.0159437],[-0.0127859,-0.00572818,-0.000859224,0.0020431],[-0.0337173,-0.0169506,-0.0094902,-0.00332745]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.22
S298 (cal/mol*K) = 10.45
G298 (kcal/mol) = 35.11

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(573); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C5H8(573)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.062e+00 -3.488e-01 -2.197e-01 -1.019e-01 / CHEB/ 1.320e+01 1.734e-01 1.060e-01 4.606e-02 / CHEB/ 4.619e-01 9.506e-02 5.673e-02 2.352e-02 / CHEB/ 1.208e-01 5.221e-02 3.340e-02 1.594e-02 / CHEB/ -1.279e-02 -5.728e-03 -8.592e-04 2.043e-03 / CHEB/ -3.372e-02 -1.695e-02 -9.490e-03 -3.327e-03 /

5695.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.9	-8.4	-4.2	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-8.5	-4.3	-2.1

Chebyshev(coeffs=[[-12.7162,-0.284228,-0.182686,-0.0881267],[15.9588,0.128285,0.0804231,0.0368625],[0.509071,0.079889,0.0490635,0.0216104],[0.138554,0.0484243,0.0312702,0.0151965],[-0.000803485,-0.0029339,-1.51918e-05,0.00166408],[-0.0273188,-0.0146256,-0.00850278,-0.003284]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.90
S298 (cal/mol*K) = -3.42
G298 (kcal/mol) = 47.92

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(109); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.272e+01 -2.842e-01 -1.827e-01 -8.813e-02 / CHEB/ 1.596e+01 1.283e-01 8.042e-02 3.686e-02 / CHEB/ 5.091e-01 7.989e-02 4.906e-02 2.161e-02 / CHEB/ 1.386e-01 4.842e-02 3.127e-02 1.520e-02 / CHEB/ -8.035e-04 -2.934e-03 -1.519e-05 1.664e-03 / CHEB/ -2.732e-02 -1.463e-02 -8.503e-03 -3.284e-03 /

5696.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+1.3	+2.3	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+0.9	+2.1	+2.8

Chebyshev(coeffs=[[5.672,-0.956957,-0.536901,-0.193349],[2.29587,0.585967,0.320643,0.106798],[0.677176,0.220405,0.111177,0.0294625],[0.177113,0.107507,0.0567274,0.0170014],[0.00310304,-0.0167385,-0.000531606,0.00720548],[-0.0287352,-0.040124,-0.0165682,-0.000786969]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.44
S298 (cal/mol*K) = -35.14
G298 (kcal/mol) = -50.97

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(568); C2H4(72), C7H11(568); C5H7(210)+C2H4(72)(+M)=>C7H11(568)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.672e+00 -9.570e-01 -5.369e-01 -1.933e-01 / CHEB/ 2.296e+00 5.860e-01 3.206e-01 1.068e-01 / CHEB/ 6.772e-01 2.204e-01 1.112e-01 2.946e-02 / CHEB/ 1.771e-01 1.075e-01 5.673e-02 1.700e-02 / CHEB/ 3.103e-03 -1.674e-02 -5.316e-04 7.205e-03 / CHEB/ -2.874e-02 -4.012e-02 -1.657e-02 -7.870e-04 /

5697.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-4.2	-0.8	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-4.4	-0.9	+1.0

Chebyshev(coeffs=[[-5.98292,-0.410984,-0.254149,-0.113719],[12.0767,0.22236,0.133005,0.0551633],[0.687759,0.107293,0.0625123,0.0245691],[0.186006,0.0540595,0.0343735,0.0162111],[0.00954811,-0.00882956,-0.0018369,0.00238509],[-0.0279943,-0.0189635,-0.0102873,-0.00329932]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.03
S298 (cal/mol*K) = 0.11
G298 (kcal/mol) = 24.00

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H6(574); C2H4(72), C3H5(98); C5H7(210)+C2H4(72)(+M)=>C4H6(574)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.983e+00 -4.110e-01 -2.541e-01 -1.137e-01 / CHEB/ 1.208e+01 2.224e-01 1.330e-01 5.516e-02 / CHEB/ 6.878e-01 1.073e-01 6.251e-02 2.457e-02 / CHEB/ 1.860e-01 5.406e-02 3.437e-02 1.621e-02 / CHEB/ 9.548e-03 -8.830e-03 -1.837e-03 2.385e-03 / CHEB/ -2.799e-02 -1.896e-02 -1.029e-02 -3.299e-03 /

5698.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.1	-10.6	-6.0	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-10.7	-6.1	-3.7

Chebyshev(coeffs=[[-15.7332,-0.253097,-0.164245,-0.0806628],[17.3206,0.113579,0.0720477,0.033814],[0.573236,0.0706812,0.0441359,0.0201115],[0.150532,0.0444678,0.0289579,0.0142967],[0.00393542,-0.00232873,-2.94546e-05,0.00131612],[-0.0245704,-0.0133497,-0.00795041,-0.00325246]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.75
S298 (cal/mol*K) = -11.51
G298 (kcal/mol) = 54.18

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(575); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(575)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.573e+01 -2.531e-01 -1.642e-01 -8.066e-02 / CHEB/ 1.732e+01 1.136e-01 7.205e-02 3.381e-02 / CHEB/ 5.732e-01 7.068e-02 4.414e-02 2.011e-02 / CHEB/ 1.505e-01 4.447e-02 2.896e-02 1.430e-02 / CHEB/ 3.935e-03 -2.329e-03 -2.945e-05 1.316e-03 / CHEB/ -2.457e-02 -1.335e-02 -7.950e-03 -3.252e-03 /

5699.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-2.2	+0.4	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-2.6	+0.2	+1.7

Chebyshev(coeffs=[[-1.54131,-1.42134,-0.129919,0.0169632],[8.17433,1.09771,-0.111058,-0.071615],[0.941471,0.321689,0.10746,-0.0196476],[0.113922,-0.0508411,0.0593736,0.0149218],[0.00584672,-0.0783427,0.00596417,0.019671],[-0.0124147,-0.0275353,-0.0119303,0.00647526]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.28
S298 (cal/mol*K) = -10.34
G298 (kcal/mol) = 15.36

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H7(855); C2H4(115), CH3(423); C2H4(115)+C5H6(62)(+M)=>CH3(423)+C6H7(855)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.541e+00 -1.421e+00 -1.299e-01 1.696e-02 / CHEB/ 8.174e+00 1.098e+00 -1.111e-01 -7.161e-02 / CHEB/ 9.415e-01 3.217e-01 1.075e-01 -1.965e-02 / CHEB/ 1.139e-01 -5.084e-02 5.937e-02 1.492e-02 / CHEB/ 5.847e-03 -7.834e-02 5.964e-03 1.967e-02 / CHEB/ -1.241e-02 -2.754e-02 -1.193e-02 6.475e-03 /

5700.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-5.0	-2.1	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-5.4	-2.2	-0.6

Chebyshev(coeffs=[[-4.61487,-1.42022,-0.130301,0.016879],[8.79382,1.09718,-0.110522,-0.0715653],[1.07441,0.321235,0.107499,-0.0196069],[0.153555,-0.0510566,0.0593003,0.0149764],[0.0188631,-0.0782929,0.00590048,0.0196711],[-0.00796416,-0.027408,-0.0119401,0.00644689]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.77
S298 (cal/mol*K) = -22.43
G298 (kcal/mol) = 21.45

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(856); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(856)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.615e+00 -1.420e+00 -1.303e-01 1.688e-02 / CHEB/ 8.794e+00 1.097e+00 -1.105e-01 -7.157e-02 / CHEB/ 1.074e+00 3.212e-01 1.075e-01 -1.961e-02 / CHEB/ 1.536e-01 -5.106e-02 5.930e-02 1.498e-02 / CHEB/ 1.886e-02 -7.829e-02 5.900e-03 1.967e-02 / CHEB/ -7.964e-03 -2.741e-02 -1.194e-02 6.447e-03 /

5701.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-3.4	-0.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-3.7	-0.4	+1.2

Chebyshev(coeffs=[[-4.15323,-1.23225,-0.194819,0.0082398],[10.4603,0.984857,-0.0174362,-0.0710177],[0.825417,0.252888,0.108396,-0.00788948],[0.143515,-0.0717164,0.0440271,0.0216899],[-0.00143475,-0.0624681,-0.00279997,0.0170171],[-0.0327323,-0.00968915,-0.0114184,0.00211995]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.57
S298 (cal/mol*K) = -6.11
G298 (kcal/mol) = 25.39

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(857); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C2H3(100)+C5H7(857)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.153e+00 -1.232e+00 -1.948e-01 8.240e-03 / CHEB/ 1.046e+01 9.849e-01 -1.744e-02 -7.102e-02 / CHEB/ 8.254e-01 2.529e-01 1.084e-01 -7.889e-03 / CHEB/ 1.435e-01 -7.172e-02 4.403e-02 2.169e-02 / CHEB/ -1.435e-03 -6.247e-02 -2.800e-03 1.702e-02 / CHEB/ -3.273e-02 -9.689e-03 -1.142e-02 2.120e-03 /

5702.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-2.5	+0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-3.0	-0.1	+1.3

Chebyshev(coeffs=[[-1.05701,-1.54155,-0.0902335,0.0312606],[7.09907,1.14848,-0.163214,-0.0840093],[1.15237,0.373182,0.100598,-0.0210631],[0.120451,-0.021519,0.0658088,0.00931147],[0.0180837,-0.0810261,0.0132504,0.0183188],[0.00852979,-0.0421813,-0.0101563,0.00924467]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.46
S298 (cal/mol*K) = -21.99
G298 (kcal/mol) = 10.01

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(858); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(858)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.057e+00 -1.542e+00 -9.023e-02 3.126e-02 / CHEB/ 7.099e+00 1.148e+00 -1.632e-01 -8.401e-02 / CHEB/ 1.152e+00 3.732e-01 1.006e-01 -2.106e-02 / CHEB/ 1.205e-01 -2.152e-02 6.581e-02 9.311e-03 / CHEB/ 1.808e-02 -8.103e-02 1.325e-02 1.832e-02 / CHEB/ 8.530e-03 -4.218e-02 -1.016e-02 9.245e-03 /

5703.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-6.1	-2.3	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-6.4	-2.4	-0.4

Chebyshev(coeffs=[[-8.37631,-1.07392,-0.240427,-0.00170108],[12.9134,0.874781,0.0554165,-0.0664126],[0.939293,0.19922,0.104943,0.00441138],[0.201822,-0.0734735,0.0283755,0.0238832],[-0.000622244,-0.0429619,-0.0075651,0.0123229],[-0.040825,-0.00049738,-0.00866576,-0.000703397]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.47
S298 (cal/mol*K) = -15.03
G298 (kcal/mol) = 36.94

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(859); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(859)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.376e+00 -1.074e+00 -2.404e-01 -1.701e-03 / CHEB/ 1.291e+01 8.748e-01 5.542e-02 -6.641e-02 / CHEB/ 9.393e-01 1.992e-01 1.049e-01 4.411e-03 / CHEB/ 2.018e-01 -7.347e-02 2.838e-02 2.388e-02 / CHEB/ -6.222e-04 -4.296e-02 -7.565e-03 1.232e-02 / CHEB/ -4.082e-02 -4.974e-04 -8.666e-03 -7.034e-04 /

5704.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.0	-9.6	-5.4	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-21.7	-9.9	-5.5	-3.3

Chebyshev(coeffs=[[-13.762,-0.84471,-0.288596,-0.0279116],[15.6365,0.669393,0.141724,-0.040463],[0.743681,0.151988,0.0869159,0.0166394],[0.150076,-0.0527993,0.0101126,0.0199299],[-0.0183239,-0.0216486,-0.00661009,0.00598233],[-0.04714,0.00125679,-0.00411738,-0.00157835]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.87
S298 (cal/mol*K) = -16.93
G298 (kcal/mol) = 48.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(860); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(860)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.376e+01 -8.447e-01 -2.886e-01 -2.791e-02 / CHEB/ 1.564e+01 6.694e-01 1.417e-01 -4.046e-02 / CHEB/ 7.437e-01 1.520e-01 8.692e-02 1.664e-02 / CHEB/ 1.501e-01 -5.280e-02 1.011e-02 1.993e-02 / CHEB/ -1.832e-02 -2.165e-02 -6.610e-03 5.982e-03 / CHEB/ -4.714e-02 1.257e-03 -4.117e-03 -1.578e-03 /

5705.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.0	-9.6	-5.4	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-21.7	-9.9	-5.5	-3.3

H298 (kcal/mol) = 43.87
S298 (cal/mol*K) = -16.93
G298 (kcal/mol) = 48.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(861); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(861)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.376e+01 -8.447e-01 -2.886e-01 -2.791e-02 / CHEB/ 1.564e+01 6.694e-01 1.417e-01 -4.046e-02 / CHEB/ 7.437e-01 1.520e-01 8.692e-02 1.664e-02 / CHEB/ 1.501e-01 -5.280e-02 1.011e-02 1.993e-02 / CHEB/ -1.832e-02 -2.165e-02 -6.610e-03 5.982e-03 / CHEB/ -4.714e-02 1.257e-03 -4.117e-03 -1.578e-03 /

5706.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.8	-9.0	-4.9	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-9.2	-5.0	-2.9

Chebyshev(coeffs=[[-12.5178,-0.917228,-0.278067,-0.0181801],[14.7034,0.734292,0.118759,-0.0512008],[0.786685,0.165263,0.0932086,0.0132849],[0.162906,-0.0596453,0.0151505,0.0217964],[-0.0129879,-0.0272077,-0.00728071,0.00780004],[-0.0455665,0.00131731,-0.00538095,-0.00155419]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.37
S298 (cal/mol*K) = -16.93
G298 (kcal/mol) = 45.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(862); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(862)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.252e+01 -9.172e-01 -2.781e-01 -1.818e-02 / CHEB/ 1.470e+01 7.343e-01 1.188e-01 -5.120e-02 / CHEB/ 7.867e-01 1.653e-01 9.321e-02 1.328e-02 / CHEB/ 1.629e-01 -5.965e-02 1.515e-02 2.180e-02 / CHEB/ -1.299e-02 -2.721e-02 -7.281e-03 7.800e-03 / CHEB/ -4.557e-02 1.317e-03 -5.381e-03 -1.554e-03 /

5707.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.6	-8.4	-4.1	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-20.3	-8.6	-4.2	-2.1

Chebyshev(coeffs=[[-12.2874,-0.874231,-0.28486,-0.0237998],[15.34,0.695996,0.132948,-0.0451215],[0.782416,0.157076,0.0895545,0.0153822],[0.161728,-0.0556147,0.0120449,0.0207546],[-0.0141912,-0.0237496,-0.0069272,0.00668236],[-0.0458311,0.00132089,-0.00459873,-0.00159279]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.57
S298 (cal/mol*K) = -17.35
G298 (kcal/mol) = 47.74

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(863); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(863)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.229e+01 -8.742e-01 -2.849e-01 -2.380e-02 / CHEB/ 1.534e+01 6.960e-01 1.329e-01 -4.512e-02 / CHEB/ 7.824e-01 1.571e-01 8.955e-02 1.538e-02 / CHEB/ 1.617e-01 -5.561e-02 1.204e-02 2.075e-02 / CHEB/ -1.419e-02 -2.375e-02 -6.927e-03 6.682e-03 / CHEB/ -4.583e-02 1.321e-03 -4.599e-03 -1.593e-03 /

5708.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-2.1	-0.1	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-2.6	-0.3	+0.9

Chebyshev(coeffs=[[0.226111,-1.62002,-0.0747262,0.0421214],[5.6391,1.14152,-0.18573,-0.0910501],[0.970497,0.414791,0.0867568,-0.0257768],[0.0641215,0.0136021,0.0673547,0.00582927],[0.00199149,-0.0727121,0.0191693,0.0157723],[0.0138631,-0.0521857,-0.00685839,0.0102439]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.92
S298 (cal/mol*K) = -32.62
G298 (kcal/mol) = -1.20

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(864); C5H6(62), C7H10(864); C2H4(115)+C5H6(62)(+M)=>C7H10(864)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.261e-01 -1.620e+00 -7.473e-02 4.212e-02 / CHEB/ 5.639e+00 1.142e+00 -1.857e-01 -9.105e-02 / CHEB/ 9.705e-01 4.148e-01 8.676e-02 -2.578e-02 / CHEB/ 6.412e-02 1.360e-02 6.735e-02 5.829e-03 / CHEB/ 1.991e-03 -7.271e-02 1.917e-02 1.577e-02 / CHEB/ 1.386e-02 -5.219e-02 -6.858e-03 1.024e-02 /

5709.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	-2.2	-0.5	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-2.8	-0.7	+0.3

Chebyshev(coeffs=[[0.65513,-1.69672,-0.0630644,0.0525683],[4.73138,1.11439,-0.200949,-0.093949],[0.839418,0.456362,0.0704565,-0.0331641],[0.0462816,0.0560053,0.0661214,0.00248494],[-0.0055719,-0.056586,0.0242567,0.0133256],[0.0219679,-0.0587179,-0.00314454,0.00999794]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.02
S298 (cal/mol*K) = -41.55
G298 (kcal/mol) = -11.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(865); C5H6(62), C7H10(865); C2H4(115)+C5H6(62)(+M)=>C7H10(865)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.551e-01 -1.697e+00 -6.306e-02 5.257e-02 / CHEB/ 4.731e+00 1.114e+00 -2.009e-01 -9.395e-02 / CHEB/ 8.394e-01 4.564e-01 7.046e-02 -3.316e-02 / CHEB/ 4.628e-02 5.601e-02 6.612e-02 2.485e-03 / CHEB/ -5.572e-03 -5.659e-02 2.426e-02 1.333e-02 / CHEB/ 2.197e-02 -5.872e-02 -3.145e-03 9.998e-03 /

5710.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-3.0	-1.1	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-3.6	-1.3	-0.1

Chebyshev(coeffs=[[-0.416112,-1.6717,-0.0663178,0.0492651],[5.25041,1.12639,-0.196631,-0.0935715],[0.945052,0.443527,0.0759495,-0.0305367],[0.0691981,0.041186,0.0669686,0.00375175],[0.00223788,-0.063116,0.0227716,0.0141121],[0.0216103,-0.0573696,-0.00436849,0.0101907]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.70
S298 (cal/mol*K) = -43.03
G298 (kcal/mol) = -5.88

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(866); C5H6(62), C7H10(866); C2H4(115)+C5H6(62)(+M)=>C7H10(866)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.161e-01 -1.672e+00 -6.632e-02 4.927e-02 / CHEB/ 5.250e+00 1.126e+00 -1.966e-01 -9.357e-02 / CHEB/ 9.451e-01 4.435e-01 7.595e-02 -3.054e-02 / CHEB/ 6.920e-02 4.119e-02 6.697e-02 3.752e-03 / CHEB/ 2.238e-03 -6.312e-02 2.277e-02 1.411e-02 / CHEB/ 2.161e-02 -5.737e-02 -4.368e-03 1.019e-02 /

5711.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-4.5	-2.9	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-5.1	-3.1	-2.2

Chebyshev(coeffs=[[-1.71584,-1.65284,-0.069105,0.046709],[4.69181,1.13344,-0.192988,-0.0929298],[0.806276,0.433223,0.080024,-0.0286575],[0.0227275,0.0305769,0.0673157,0.00458103],[-0.0127129,-0.0671934,0.0215102,0.0147078],[0.0137077,-0.0557641,-0.00530497,0.0102687]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.87
S298 (cal/mol*K) = -47.10
G298 (kcal/mol) = -19.83

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(867); C5H6(62), C7H10(867); C2H4(115)+C5H6(62)(+M)=>C7H10(867)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.716e+00 -1.653e+00 -6.911e-02 4.671e-02 / CHEB/ 4.692e+00 1.133e+00 -1.930e-01 -9.293e-02 / CHEB/ 8.063e-01 4.332e-01 8.002e-02 -2.866e-02 / CHEB/ 2.273e-02 3.058e-02 6.732e-02 4.581e-03 / CHEB/ -1.271e-02 -6.719e-02 2.151e-02 1.471e-02 / CHEB/ 1.371e-02 -5.576e-02 -5.305e-03 1.027e-02 /

5712.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-3.7	-0.9	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-4.1	-1.1	+0.5

Chebyshev(coeffs=[[-2.76473,-1.47764,-0.108951,0.0226225],[7.96197,1.13009,-0.138234,-0.0763496],[1.13151,0.343483,0.106492,-0.0201777],[0.14239,-0.0410752,0.0628347,0.0124303],[0.02244,-0.0815019,0.0089077,0.0195211],[0.00537543,-0.034019,-0.0115679,0.00780311]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.32
S298 (cal/mol*K) = -34.14
G298 (kcal/mol) = 3.85

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(868); C5H6(62), C7H10(868); C2H4(115)+C5H6(62)(+M)=>C7H10(868)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.765e+00 -1.478e+00 -1.090e-01 2.262e-02 / CHEB/ 7.962e+00 1.130e+00 -1.382e-01 -7.635e-02 / CHEB/ 1.132e+00 3.435e-01 1.065e-01 -2.018e-02 / CHEB/ 1.424e-01 -4.108e-02 6.283e-02 1.243e-02 / CHEB/ 2.244e-02 -8.150e-02 8.908e-03 1.952e-02 / CHEB/ 5.375e-03 -3.402e-02 -1.157e-02 7.803e-03 /

5713.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-2.8	-0.3	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-3.2	-0.4	+1.0

Chebyshev(coeffs=[[-1.35215,-1.53955,-0.0930895,0.0303936],[7.11688,1.13941,-0.161707,-0.0827656],[1.10118,0.372688,0.0994397,-0.0218885],[0.110209,-0.0195994,0.0652922,0.00891462],[0.0162188,-0.079436,0.0134491,0.0182351],[0.00634716,-0.0418938,-0.00982601,0.00924786]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.92
S298 (cal/mol*K) = -32.62
G298 (kcal/mol) = -1.20

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(869); C5H6(62), C7H10(869); C2H4(115)+C5H6(62)(+M)=>C7H10(869)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.352e+00 -1.540e+00 -9.309e-02 3.039e-02 / CHEB/ 7.117e+00 1.139e+00 -1.617e-01 -8.277e-02 / CHEB/ 1.101e+00 3.727e-01 9.944e-02 -2.189e-02 / CHEB/ 1.102e-01 -1.960e-02 6.529e-02 8.915e-03 / CHEB/ 1.622e-02 -7.944e-02 1.345e-02 1.824e-02 / CHEB/ 6.347e-03 -4.189e-02 -9.826e-03 9.248e-03 /

5714.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-3.6	-1.3	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-4.1	-1.5	-0.1

Chebyshev(coeffs=[[-1.65434,-1.59497,-0.077996,0.0389794],[6.28628,1.15055,-0.179406,-0.0896605],[1.10093,0.402058,0.0920881,-0.023643],[0.104221,0.000169531,0.0674881,0.00722828],[0.0163663,-0.0774996,0.0172408,0.0167404],[0.0173549,-0.0495692,-0.00821048,0.0100652]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.70
S298 (cal/mol*K) = -43.03
G298 (kcal/mol) = -5.88

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(870); C5H6(62), C7H10(870); C2H4(115)+C5H6(62)(+M)=>C7H10(870)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.654e+00 -1.595e+00 -7.800e-02 3.898e-02 / CHEB/ 6.286e+00 1.151e+00 -1.794e-01 -8.966e-02 / CHEB/ 1.101e+00 4.021e-01 9.209e-02 -2.364e-02 / CHEB/ 1.042e-01 1.695e-04 6.749e-02 7.228e-03 / CHEB/ 1.637e-02 -7.750e-02 1.724e-02 1.674e-02 / CHEB/ 1.735e-02 -4.957e-02 -8.210e-03 1.007e-02 /

5715.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.6	-9.6	-5.9	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-19.5	-9.9	-6.0	-3.9

Chebyshev(coeffs=[[-11.5603,-1.09477,-0.235721,7.91251e-05],[12.5389,0.887077,0.047263,-0.0675496],[0.793266,0.209524,0.104735,0.00236511],[0.234531,-0.0737998,0.0305728,0.0237258],[0.119361,-0.0479812,-0.00679107,0.0133206],[-0.0351462,-0.00169074,-0.00929289,-0.00030564]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.40
S298 (cal/mol*K) = -37.53
G298 (kcal/mol) = 21.58

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(871); C5H6(62), C7H10(871); C2H4(115)+C5H6(62)(+M)=>C7H10(871)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.156e+01 -1.095e+00 -2.357e-01 7.913e-05 / CHEB/ 1.254e+01 8.871e-01 4.726e-02 -6.755e-02 / CHEB/ 7.933e-01 2.095e-01 1.047e-01 2.365e-03 / CHEB/ 2.345e-01 -7.380e-02 3.057e-02 2.373e-02 / CHEB/ 1.194e-01 -4.798e-02 -6.791e-03 1.332e-02 / CHEB/ -3.515e-02 -1.691e-03 -9.293e-03 -3.056e-04 /

5716.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-8.2	-4.8	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-8.5	-4.9	-3.1

Chebyshev(coeffs=[[-9.3067,-1.22929,-0.195797,0.00811218],[11.0888,0.982787,-0.0159762,-0.0710188],[0.954942,0.25193,0.108334,-0.00766743],[0.182373,-0.0718442,0.0437587,0.0217552],[0.011174,-0.0621374,-0.0029044,0.0169451],[-0.0284809,-0.00947141,-0.0113837,0.00206144]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.58
S298 (cal/mol*K) = -36.05
G298 (kcal/mol) = 12.32

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(872); C5H6(62), C7H10(872); C2H4(115)+C5H6(62)(+M)=>C7H10(872)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.307e+00 -1.229e+00 -1.958e-01 8.112e-03 / CHEB/ 1.109e+01 9.828e-01 -1.598e-02 -7.102e-02 / CHEB/ 9.549e-01 2.519e-01 1.083e-01 -7.667e-03 / CHEB/ 1.824e-01 -7.184e-02 4.376e-02 2.176e-02 / CHEB/ 1.117e-02 -6.214e-02 -2.904e-03 1.695e-02 / CHEB/ -2.848e-02 -9.471e-03 -1.138e-02 2.061e-03 /

5717.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-4.7	-2.4	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-5.2	-2.5	-1.2

Chebyshev(coeffs=[[-2.83717,-1.58596,-0.0816884,0.0371907],[6.43974,1.14425,-0.176737,-0.0880874],[1.07751,0.396061,0.0929274,-0.0235381],[0.0942122,-0.00184715,0.0667603,0.0070321],[0.0125066,-0.0765999,0.0167049,0.0168893],[0.01209,-0.0479138,-0.00827933,0.00997599]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.32
S298 (cal/mol*K) = -34.14
G298 (kcal/mol) = 3.85

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(374); C5H6(62), C7H10(374); C2H4(115)+C5H6(62)(+M)=>C7H10(374)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.837e+00 -1.586e+00 -8.169e-02 3.719e-02 / CHEB/ 6.440e+00 1.144e+00 -1.767e-01 -8.809e-02 / CHEB/ 1.078e+00 3.961e-01 9.293e-02 -2.354e-02 / CHEB/ 9.421e-02 -1.847e-03 6.676e-02 7.032e-03 / CHEB/ 1.251e-02 -7.660e-02 1.670e-02 1.689e-02 / CHEB/ 1.209e-02 -4.791e-02 -8.279e-03 9.976e-03 /

5718.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-3.4	-1.7	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-4.0	-2.0	-0.9

Chebyshev(coeffs=[[-0.505603,-1.69993,-0.06268,0.0529857],[4.66607,1.11264,-0.201464,-0.0939598],[0.825243,0.457916,0.0697506,-0.0335066],[0.0431637,0.0579549,0.0659807,0.00230778],[-0.00660353,-0.055651,0.0244266,0.0132236],[0.0219689,-0.0588112,-0.00299338,0.00996629]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.35
S298 (cal/mol*K) = -42.00
G298 (kcal/mol) = -8.83

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(873); C5H6(62), C7H10(873); C2H4(115)+C5H6(62)(+M)=>C7H10(873)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.056e-01 -1.700e+00 -6.268e-02 5.299e-02 / CHEB/ 4.666e+00 1.113e+00 -2.015e-01 -9.396e-02 / CHEB/ 8.252e-01 4.579e-01 6.975e-02 -3.351e-02 / CHEB/ 4.316e-02 5.795e-02 6.598e-02 2.308e-03 / CHEB/ -6.604e-03 -5.565e-02 2.443e-02 1.322e-02 / CHEB/ 2.197e-02 -5.881e-02 -2.993e-03 9.966e-03 /

5719.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.0	-7.8	-4.8	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-8.1	-4.9	-3.2

Chebyshev(coeffs=[[-7.71041,-1.37532,-0.145783,0.0140856],[9.27706,1.07426,-0.0886611,-0.0703823],[1.0284,0.303711,0.108599,-0.017594],[0.158827,-0.0586209,0.0561797,0.0170269],[0.0161701,-0.0757414,0.00346339,0.0194831],[-0.0139459,-0.0225369,-0.0121777,0.00532975]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.75
S298 (cal/mol*K) = -36.50
G298 (kcal/mol) = 18.63

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(874); C5H6(62), C7H10(874); C2H4(115)+C5H6(62)(+M)=>C7H10(874)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.710e+00 -1.375e+00 -1.458e-01 1.409e-02 / CHEB/ 9.277e+00 1.074e+00 -8.866e-02 -7.038e-02 / CHEB/ 1.028e+00 3.037e-01 1.086e-01 -1.759e-02 / CHEB/ 1.588e-01 -5.862e-02 5.618e-02 1.703e-02 / CHEB/ 1.617e-02 -7.574e-02 3.463e-03 1.948e-02 / CHEB/ -1.395e-02 -2.254e-02 -1.218e-02 5.330e-03 /

5720.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-6.9	-4.2	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-7.3	-4.3	-2.8

Chebyshev(coeffs=[[-6.08846,-1.46699,-0.114739,0.0210894],[8.10416,1.11745,-0.1322,-0.0746244],[1.08255,0.340483,0.105438,-0.0208597],[0.134706,-0.04091,0.0620577,0.0126024],[0.0175026,-0.0798417,0.00868554,0.0194627],[-0.00276959,-0.0328536,-0.0113906,0.00761826]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.58
S298 (cal/mol*K) = -36.05
G298 (kcal/mol) = 12.32

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(875); C5H6(62), C7H10(875); C2H4(115)+C5H6(62)(+M)=>C7H10(875)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.088e+00 -1.467e+00 -1.147e-01 2.109e-02 / CHEB/ 8.104e+00 1.117e+00 -1.322e-01 -7.462e-02 / CHEB/ 1.083e+00 3.405e-01 1.054e-01 -2.086e-02 / CHEB/ 1.347e-01 -4.091e-02 6.206e-02 1.260e-02 / CHEB/ 1.750e-02 -7.984e-02 8.686e-03 1.946e-02 / CHEB/ -2.770e-03 -3.285e-02 -1.139e-02 7.618e-03 /

5721.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-8.2	-4.9	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-8.6	-5.0	-3.3

Chebyshev(coeffs=[[-8.72963,-1.32911,-0.161576,0.0119369],[10.1739,1.04872,-0.0659821,-0.0702825],[1.09721,0.28571,0.109326,-0.0147446],[0.180159,-0.064752,0.0524355,0.0188925],[0.00773705,-0.0721338,0.0012283,0.0189207],[-0.057405,-0.0174311,-0.012207,0.0041742]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.40
S298 (cal/mol*K) = -37.53
G298 (kcal/mol) = 21.58

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(876); C5H6(62), C7H10(876); C2H4(115)+C5H6(62)(+M)=>C7H10(876)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.730e+00 -1.329e+00 -1.616e-01 1.194e-02 / CHEB/ 1.017e+01 1.049e+00 -6.598e-02 -7.028e-02 / CHEB/ 1.097e+00 2.857e-01 1.093e-01 -1.474e-02 / CHEB/ 1.802e-01 -6.475e-02 5.244e-02 1.889e-02 / CHEB/ 7.737e-03 -7.213e-02 1.228e-03 1.892e-02 / CHEB/ -5.741e-02 -1.743e-02 -1.221e-02 4.174e-03 /

5722.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-6.9	-4.1	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-7.3	-4.2	-2.6

Chebyshev(coeffs=[[-6.22781,-1.45489,-0.118686,0.0198538],[8.36155,1.11257,-0.126727,-0.073631],[1.09794,0.335439,0.106062,-0.0206202],[0.144877,-0.043789,0.0614055,0.0132345],[0.019555,-0.0795569,0.00793967,0.0195576],[-0.0035333,-0.031414,-0.0115638,0.00731888]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.78
S298 (cal/mol*K) = -36.47
G298 (kcal/mol) = 14.65

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(877); C5H6(62), C7H10(877); C2H4(115)+C5H6(62)(+M)=>C7H10(877)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.228e+00 -1.455e+00 -1.187e-01 1.985e-02 / CHEB/ 8.362e+00 1.113e+00 -1.267e-01 -7.363e-02 / CHEB/ 1.098e+00 3.354e-01 1.061e-01 -2.062e-02 / CHEB/ 1.449e-01 -4.379e-02 6.141e-02 1.323e-02 / CHEB/ 1.955e-02 -7.956e-02 7.940e-03 1.956e-02 / CHEB/ -3.533e-03 -3.141e-02 -1.156e-02 7.319e-03 /

5723.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.9	-7.7	-4.7	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-15.9	-8.0	-4.8	-3.2

Chebyshev(coeffs=[[-7.58035,-1.37532,-0.145783,0.0140856],[9.21031,1.07426,-0.0886611,-0.0703823],[1.01366,0.303711,0.108599,-0.017594],[0.154488,-0.0586209,0.0561797,0.0170269],[0.0147332,-0.0757414,0.00346339,0.0194831],[-0.0144521,-0.0225369,-0.0121777,0.00532975]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.75
S298 (cal/mol*K) = -36.50
G298 (kcal/mol) = 18.63

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(878); C5H6(62), C7H10(878); C2H4(115)+C5H6(62)(+M)=>C7H10(878)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.580e+00 -1.375e+00 -1.458e-01 1.409e-02 / CHEB/ 9.210e+00 1.074e+00 -8.866e-02 -7.038e-02 / CHEB/ 1.014e+00 3.037e-01 1.086e-01 -1.759e-02 / CHEB/ 1.545e-01 -5.862e-02 5.618e-02 1.703e-02 / CHEB/ 1.473e-02 -7.574e-02 3.463e-03 1.948e-02 / CHEB/ -1.445e-02 -2.254e-02 -1.218e-02 5.330e-03 /

5724.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-6.6	-3.9	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-14.1	-7.0	-4.1	-2.5

Chebyshev(coeffs=[[-5.66308,-1.48419,-0.109273,0.0230203],[7.89569,1.12383,-0.139734,-0.0762598],[1.09483,0.347825,0.104376,-0.0211299],[0.130493,-0.0365175,0.0629366,0.0116981],[0.0179065,-0.0800859,0.00976958,0.0192735],[-0.000452141,-0.0349392,-0.0111028,0.00803637]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.78
S298 (cal/mol*K) = -36.47
G298 (kcal/mol) = 14.65

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(879); C5H6(62), C7H10(879); C2H4(115)+C5H6(62)(+M)=>C7H10(879)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.663e+00 -1.484e+00 -1.093e-01 2.302e-02 / CHEB/ 7.896e+00 1.124e+00 -1.397e-01 -7.626e-02 / CHEB/ 1.095e+00 3.478e-01 1.044e-01 -2.113e-02 / CHEB/ 1.305e-01 -3.652e-02 6.294e-02 1.170e-02 / CHEB/ 1.791e-02 -8.009e-02 9.770e-03 1.927e-02 / CHEB/ -4.521e-04 -3.494e-02 -1.110e-02 8.036e-03 /

5725.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-0.2	+1.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-0.8	+1.6	+2.9

Chebyshev(coeffs=[[2.15441,-1.6452,-0.0696832,0.0458394],[5.55137,1.13832,-0.191462,-0.0928625],[1.05328,0.429201,0.0819301,-0.0277879],[0.0928754,0.025664,0.067628,0.0051467],[-0.0169209,-0.0689152,0.0208604,0.0149588],[0.015535,-0.0550082,-0.00573571,0.0102671]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.00
S298 (cal/mol*K) = -33.72
G298 (kcal/mol) = -1.95

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(880); C5H6(62), C7H10(880); C2H4(115)+C5H6(62)(+M)=>C7H10(880)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.154e+00 -1.645e+00 -6.968e-02 4.584e-02 / CHEB/ 5.551e+00 1.138e+00 -1.915e-01 -9.286e-02 / CHEB/ 1.053e+00 4.292e-01 8.193e-02 -2.779e-02 / CHEB/ 9.288e-02 2.566e-02 6.763e-02 5.147e-03 / CHEB/ -1.692e-02 -6.892e-02 2.086e-02 1.496e-02 / CHEB/ 1.554e-02 -5.501e-02 -5.736e-03 1.027e-02 /

5726.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-1.7	+0.7	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-2.2	+0.5	+1.9

Chebyshev(coeffs=[[-0.120901,-1.55127,-0.0900061,0.0320944],[6.82616,1.14147,-0.165814,-0.0841996],[1.07147,0.378325,0.0980181,-0.0221675],[0.0980816,-0.0154425,0.0657116,0.00839464],[0.012898,-0.0789525,0.0142578,0.0179297],[0.00687577,-0.0434065,-0.00947905,0.00946406]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.19
S298 (cal/mol*K) = -28.07
G298 (kcal/mol) = 9.56

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(881); C5H6(62), C7H10(881); C2H4(115)+C5H6(62)(+M)=>C7H10(881)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.209e-01 -1.551e+00 -9.001e-02 3.209e-02 / CHEB/ 6.826e+00 1.141e+00 -1.658e-01 -8.420e-02 / CHEB/ 1.071e+00 3.783e-01 9.802e-02 -2.217e-02 / CHEB/ 9.808e-02 -1.544e-02 6.571e-02 8.395e-03 / CHEB/ 1.290e-02 -7.895e-02 1.426e-02 1.793e-02 / CHEB/ 6.876e-03 -4.341e-02 -9.479e-03 9.464e-03 /

5727.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-1.9	+1.3	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-2.2	+1.2	+3.1

Chebyshev(coeffs=[[-2.57574,-1.27736,-0.178,0.00999269],[10.4772,1.02083,-0.0403886,-0.0705978],[0.944186,0.267484,0.109942,-0.0109725],[0.178681,-0.0709459,0.0480857,0.0208464],[0.0486928,-0.068704,-0.00134086,0.0181595],[-0.0108163,-0.0131286,-0.012182,0.00294827]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.49
S298 (cal/mol*K) = -22.10
G298 (kcal/mol) = 9.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(882); C5H6(62), C7H10(882); C2H4(115)+C5H6(62)(+M)=>C7H10(882)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.576e+00 -1.277e+00 -1.780e-01 9.993e-03 / CHEB/ 1.048e+01 1.021e+00 -4.039e-02 -7.060e-02 / CHEB/ 9.442e-01 2.675e-01 1.099e-01 -1.097e-02 / CHEB/ 1.787e-01 -7.095e-02 4.809e-02 2.085e-02 / CHEB/ 4.869e-02 -6.870e-02 -1.341e-03 1.816e-02 / CHEB/ -1.082e-02 -1.313e-02 -1.218e-02 2.948e-03 /

5728.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-1.7	+1.6	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-2.0	+1.5	+3.3

Chebyshev(coeffs=[[-2.34676,-1.2942,-0.174114,0.0107669],[10.4139,1.02534,-0.0478095,-0.070704],[1.01089,0.275085,0.108617,-0.0124669],[0.183634,-0.0680463,0.0498282,0.0199963],[0.0163016,-0.0690798,-0.000341979,0.0183744],[-0.0215096,-0.0147443,-0.0120238,0.00344994]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.06
S298 (cal/mol*K) = -22.48
G298 (kcal/mol) = 8.77

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(883); C5H6(62), C7H10(883); C2H4(115)+C5H6(62)(+M)=>C7H10(883)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.347e+00 -1.294e+00 -1.741e-01 1.077e-02 / CHEB/ 1.041e+01 1.025e+00 -4.781e-02 -7.070e-02 / CHEB/ 1.011e+00 2.751e-01 1.086e-01 -1.247e-02 / CHEB/ 1.836e-01 -6.805e-02 4.983e-02 2.000e-02 / CHEB/ 1.630e-02 -6.908e-02 -3.420e-04 1.837e-02 / CHEB/ -2.151e-02 -1.474e-02 -1.202e-02 3.450e-03 /

5729.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-1.7	+1.6	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-2.1	+1.5	+3.3

Chebyshev(coeffs=[[-2.5624,-1.27051,-0.182085,0.00982687],[10.668,1.01045,-0.036221,-0.0708766],[0.991769,0.266231,0.108728,-0.010742],[0.183586,-0.0697244,0.0476041,0.0207143],[0.0147377,-0.0666497,-0.00133978,0.0178949],[-0.0241568,-0.0126968,-0.011829,0.00292098]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.18
S298 (cal/mol*K) = -22.87
G298 (kcal/mol) = 10.00

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(884); C5H6(62), C7H10(884); C2H4(115)+C5H6(62)(+M)=>C7H10(884)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.562e+00 -1.271e+00 -1.821e-01 9.827e-03 / CHEB/ 1.067e+01 1.010e+00 -3.622e-02 -7.088e-02 / CHEB/ 9.918e-01 2.662e-01 1.087e-01 -1.074e-02 / CHEB/ 1.836e-01 -6.972e-02 4.760e-02 2.071e-02 / CHEB/ 1.474e-02 -6.665e-02 -1.340e-03 1.789e-02 / CHEB/ -2.416e-02 -1.270e-02 -1.183e-02 2.921e-03 /

5730.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-6.4	-3.4	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-6.7	-3.5	-1.9

Chebyshev(coeffs=[[-6.35287,-1.37093,-0.147313,0.0138626],[9.31952,1.07185,-0.086484,-0.0703384],[1.02298,0.302057,0.108663,-0.0173587],[0.15898,-0.0592629,0.0558557,0.0172128],[0.0157929,-0.0754426,0.00323721,0.0194464],[-0.01454,-0.0220809,-0.0121874,0.00522271]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.88
S298 (cal/mol*K) = -41.30
G298 (kcal/mol) = 21.18

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(885); C5H6(62), C7H10(885); C2H4(115)+C5H6(62)(+M)=>C7H10(885)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.353e+00 -1.371e+00 -1.473e-01 1.386e-02 / CHEB/ 9.320e+00 1.072e+00 -8.648e-02 -7.034e-02 / CHEB/ 1.023e+00 3.021e-01 1.087e-01 -1.736e-02 / CHEB/ 1.590e-01 -5.926e-02 5.586e-02 1.721e-02 / CHEB/ 1.579e-02 -7.544e-02 3.237e-03 1.945e-02 / CHEB/ -1.454e-02 -2.208e-02 -1.219e-02 5.223e-03 /

5731.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-10.7	-7.4	-5.8
log₁₀(k(10 bar)/[mole,m,s])	-20.3	-11.0	-7.5	-5.8

Chebyshev(coeffs=[[-12.4214,-1.08919,-0.238638,-0.000410751],[11.8254,0.877961,0.0500338,-0.0672885],[0.686966,0.208814,0.103857,0.00254286],[0.127113,-0.0718395,0.0304597,0.0234988],[-0.0177661,-0.0454523,-0.00655195,0.0129933],[-0.0452241,-0.00172082,-0.00901923,-0.000277364]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.09
S298 (cal/mol*K) = -46.44
G298 (kcal/mol) = 9.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(886); C5H6(62), C7H10(886); C2H4(115)+C5H6(62)(+M)=>C7H10(886)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.242e+01 -1.089e+00 -2.386e-01 -4.108e-04 / CHEB/ 1.183e+01 8.780e-01 5.003e-02 -6.729e-02 / CHEB/ 6.870e-01 2.088e-01 1.039e-01 2.543e-03 / CHEB/ 1.271e-01 -7.184e-02 3.046e-02 2.350e-02 / CHEB/ -1.777e-02 -4.545e-02 -6.552e-03 1.299e-02 / CHEB/ -4.522e-02 -1.721e-03 -9.019e-03 -2.774e-04 /

5732.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+3.3	+4.7	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+2.6	+4.3	+4.8

Chebyshev(coeffs=[[4.55185,-2.47267,-0.472116,-0.00842569],[6.24652,1.85756,0.0905152,-0.094321],[0.407446,0.303033,0.126529,0.0142531],[-0.207602,-0.0444337,0.0291928,0.00278904],[-0.14408,-0.046971,0.0133096,0.00418763],[-0.0518164,-0.0167646,0.00116509,0.00689055]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.72
S298 (cal/mol*K) = -45.80
G298 (kcal/mol) = -77.08

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(376); C5H6(62), C7H10(376); C2H4(115)+C5H6(62)(+M)=>C7H10(376)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.552e+00 -2.473e+00 -4.721e-01 -8.426e-03 / CHEB/ 6.247e+00 1.858e+00 9.052e-02 -9.432e-02 / CHEB/ 4.074e-01 3.030e-01 1.265e-01 1.425e-02 / CHEB/ -2.076e-01 -4.443e-02 2.919e-02 2.789e-03 / CHEB/ -1.441e-01 -4.697e-02 1.331e-02 4.188e-03 / CHEB/ -5.182e-02 -1.676e-02 1.165e-03 6.891e-03 /

5733.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	-1.3	+1.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-1.8	+1.5	+3.0

Chebyshev(coeffs=[[-2.82777,-1.56526,-0.101875,0.022297],[11.3471,1.06246,-0.147103,-0.0731002],[0.492496,0.421868,0.067564,-0.029419],[-0.00757338,0.0163475,0.0560527,0.00368509],[-0.0236718,-0.079905,0.0181807,0.0152692],[-0.000348588,-0.0586376,-0.00535248,0.00962766]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.15
S298 (cal/mol*K) = 21.15
G298 (kcal/mol) = 22.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H7(855); H(25), CH3(423); C7H9(5)+H(25)(+M)=>CH3(423)+C6H7(855)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.828e+00 -1.565e+00 -1.019e-01 2.230e-02 / CHEB/ 1.135e+01 1.062e+00 -1.471e-01 -7.310e-02 / CHEB/ 4.925e-01 4.219e-01 6.756e-02 -2.942e-02 / CHEB/ -7.573e-03 1.635e-02 5.605e-02 3.685e-03 / CHEB/ -2.367e-02 -7.990e-02 1.818e-02 1.527e-02 / CHEB/ -3.486e-04 -5.864e-02 -5.352e-03 9.628e-03 /

5734.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	-4.0	-0.8	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-4.5	-1.0	+0.7

Chebyshev(coeffs=[[-5.90503,-1.56389,-0.10234,0.022159],[11.9702,1.06208,-0.146556,-0.0730039],[0.625151,0.421279,0.067675,-0.0293861],[0.0320153,0.0159056,0.0560426,0.00372813],[-0.0105036,-0.0799951,0.0181241,0.0152989],[0.00409617,-0.0584758,-0.00539708,0.00961678]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.64
S298 (cal/mol*K) = 9.05
G298 (kcal/mol) = 28.94

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(856); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(856)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.905e+00 -1.564e+00 -1.023e-01 2.216e-02 / CHEB/ 1.197e+01 1.062e+00 -1.466e-01 -7.300e-02 / CHEB/ 6.252e-01 4.213e-01 6.767e-02 -2.939e-02 / CHEB/ 3.202e-02 1.591e-02 5.604e-02 3.728e-03 / CHEB/ -1.050e-02 -8.000e-02 1.812e-02 1.530e-02 / CHEB/ 4.096e-03 -5.848e-02 -5.397e-03 9.617e-03 /

5735.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-2.6	+0.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-3.0	+0.8	+2.5

Chebyshev(coeffs=[[-5.90122,-1.34041,-0.17898,0.00938793],[14.0414,0.971798,-0.052157,-0.0703445],[0.373176,0.325651,0.0823324,-0.0193721],[0.0211973,-0.0407523,0.0486077,0.0121344],[-0.0164601,-0.079216,0.00740719,0.017134],[-0.0251031,-0.0307956,-0.0101693,0.00614696]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.44
S298 (cal/mol*K) = 25.37
G298 (kcal/mol) = 32.88

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(857); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C2H3(100)+C5H7(857)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.901e+00 -1.340e+00 -1.790e-01 9.388e-03 / CHEB/ 1.404e+01 9.718e-01 -5.216e-02 -7.034e-02 / CHEB/ 3.732e-01 3.257e-01 8.233e-02 -1.937e-02 / CHEB/ 2.120e-02 -4.075e-02 4.861e-02 1.213e-02 / CHEB/ -1.646e-02 -7.922e-02 7.407e-03 1.713e-02 / CHEB/ -2.510e-02 -3.080e-02 -1.017e-02 6.147e-03 /

5736.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.4	+1.4	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-2.0	+1.2	+2.7

Chebyshev(coeffs=[[-1.75308,-1.72578,-0.0503386,0.0481609],[9.61183,1.11509,-0.203495,-0.0967425],[0.822602,0.481795,0.0546277,-0.032001],[-0.00125728,0.0679064,0.0556848,0.00263868],[-0.0324065,-0.0645219,0.0231006,0.011541],[0.0194077,-0.0738075,-0.000584576,0.0090818]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.33
S298 (cal/mol*K) = 9.49
G298 (kcal/mol) = 17.50

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(858); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(858)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.753e+00 -1.726e+00 -5.034e-02 4.816e-02 / CHEB/ 9.612e+00 1.115e+00 -2.035e-01 -9.674e-02 / CHEB/ 8.226e-01 4.818e-01 5.463e-02 -3.200e-02 / CHEB/ -1.257e-03 6.791e-02 5.568e-02 2.639e-03 / CHEB/ -3.241e-02 -6.452e-02 2.310e-02 1.154e-02 / CHEB/ 1.941e-02 -7.381e-02 -5.846e-04 9.082e-03 /

5737.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-5.5	-1.2	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-5.8	-1.3	+0.8

Chebyshev(coeffs=[[-10.382,-1.15538,-0.232683,-0.00179098],[16.6732,0.874494,0.0229916,-0.0671476],[0.518433,0.24496,0.0909404,-0.00752351],[0.085013,-0.0647657,0.0345016,0.0182572],[-0.0159464,-0.0602871,-0.00226928,0.0146504],[-0.0406196,-0.011129,-0.0100928,0.00197855]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.34
S298 (cal/mol*K) = 16.46
G298 (kcal/mol) = 44.44

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(859); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(859)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.038e+01 -1.155e+00 -2.327e-01 -1.791e-03 / CHEB/ 1.667e+01 8.745e-01 2.299e-02 -6.715e-02 / CHEB/ 5.184e-01 2.450e-01 9.094e-02 -7.524e-03 / CHEB/ 8.501e-02 -6.477e-02 3.450e-02 1.826e-02 / CHEB/ -1.595e-02 -6.029e-02 -2.269e-03 1.465e-02 / CHEB/ -4.062e-02 -1.113e-02 -1.009e-02 1.979e-03 /

5738.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.2	-9.2	-4.4	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-9.4	-4.5	-2.1

Chebyshev(coeffs=[[-16.0728,-0.883435,-0.29383,-0.0285328],[19.6237,0.659236,0.122715,-0.0454726],[0.369695,0.162287,0.08225,0.0090313],[0.0281306,-0.0526335,0.0111135,0.018072],[-0.0457097,-0.0275853,-0.00651465,0.00696298],[-0.0547592,-0.00117046,-0.00513115,-0.00112896]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.74
S298 (cal/mol*K) = 14.55
G298 (kcal/mol) = 56.40

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(860); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(860)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.607e+01 -8.834e-01 -2.938e-01 -2.853e-02 / CHEB/ 1.962e+01 6.592e-01 1.227e-01 -4.547e-02 / CHEB/ 3.697e-01 1.623e-01 8.225e-02 9.031e-03 / CHEB/ 2.813e-02 -5.263e-02 1.111e-02 1.807e-02 / CHEB/ -4.571e-02 -2.759e-02 -6.515e-03 6.963e-03 / CHEB/ -5.476e-02 -1.170e-03 -5.131e-03 -1.129e-03 /

5739.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.2	-9.2	-4.4	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-9.4	-4.5	-2.1

H298 (kcal/mol) = 60.74
S298 (cal/mol*K) = 14.55
G298 (kcal/mol) = 56.40

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(861); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(861)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.607e+01 -8.834e-01 -2.938e-01 -2.853e-02 / CHEB/ 1.962e+01 6.592e-01 1.227e-01 -4.547e-02 / CHEB/ 3.697e-01 1.623e-01 8.225e-02 9.031e-03 / CHEB/ 2.813e-02 -5.263e-02 1.111e-02 1.807e-02 / CHEB/ -4.571e-02 -2.759e-02 -6.515e-03 6.963e-03 / CHEB/ -5.476e-02 -1.170e-03 -5.131e-03 -1.129e-03 /

5740.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.9	-8.5	-3.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-22.7	-8.8	-4.0	-1.7

Chebyshev(coeffs=[[-14.7347,-0.96946,-0.279736,-0.0184172],[18.6271,0.729449,0.0949553,-0.0550393],[0.396591,0.184849,0.0870344,0.00377969],[0.0425781,-0.0585041,0.0179409,0.0192408],[-0.0362218,-0.036444,-0.00618883,0.00948745],[-0.0511214,-0.00266514,-0.00681912,-0.000613259]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.24
S298 (cal/mol*K) = 14.55
G298 (kcal/mol) = 52.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(862); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(862)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.473e+01 -9.695e-01 -2.797e-01 -1.842e-02 / CHEB/ 1.863e+01 7.294e-01 9.496e-02 -5.504e-02 / CHEB/ 3.966e-01 1.848e-01 8.703e-02 3.780e-03 / CHEB/ 4.258e-02 -5.850e-02 1.794e-02 1.924e-02 / CHEB/ -3.622e-02 -3.644e-02 -6.189e-03 9.487e-03 / CHEB/ -5.112e-02 -2.665e-03 -6.819e-03 -6.133e-04 /

5741.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-7.9	-3.1	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-22.5	-8.1	-3.2	-0.9

Chebyshev(coeffs=[[-14.56,-0.918374,-0.288761,-0.0242068],[19.3015,0.688198,0.112012,-0.0497491],[0.4019,0.170869,0.0844424,0.00698879],[0.0405143,-0.0552056,0.0137534,0.0186846],[-0.0399065,-0.0309346,-0.00650861,0.00795624],[-0.0526562,-0.00163484,-0.00579741,-0.000978972]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.44
S298 (cal/mol*K) = 14.13
G298 (kcal/mol) = 55.23

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(863); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(863)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.456e+01 -9.184e-01 -2.888e-01 -2.421e-02 / CHEB/ 1.930e+01 6.882e-01 1.120e-01 -4.975e-02 / CHEB/ 4.019e-01 1.709e-01 8.444e-02 6.989e-03 / CHEB/ 4.051e-02 -5.521e-02 1.375e-02 1.868e-02 / CHEB/ -3.991e-02 -3.093e-02 -6.509e-03 7.956e-03 / CHEB/ -5.266e-02 -1.635e-03 -5.797e-03 -9.790e-04 /

5742.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-0.8	+1.4	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-1.5	+1.1	+2.3

Chebyshev(coeffs=[[0.130057,-1.85017,-0.031212,0.0510958],[7.48806,1.12363,-0.217619,-0.0818969],[0.79936,0.512959,0.0324347,-0.0536886],[-0.068334,0.113283,0.0549791,0.0036906],[-0.0645825,-0.0360669,0.0232618,0.0125432],[0.0153426,-0.0718005,0.000591773,0.00637632]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.95
S298 (cal/mol*K) = -1.13
G298 (kcal/mol) = 6.29

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(864); H(25), C7H10(864); C7H9(5)+H(25)(+M)=>C7H10(864)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.301e-01 -1.850e+00 -3.121e-02 5.110e-02 / CHEB/ 7.488e+00 1.124e+00 -2.176e-01 -8.190e-02 / CHEB/ 7.994e-01 5.130e-01 3.243e-02 -5.369e-02 / CHEB/ -6.833e-02 1.133e-01 5.498e-02 3.691e-03 / CHEB/ -6.458e-02 -3.607e-02 2.326e-02 1.254e-02 / CHEB/ 1.534e-02 -7.180e-02 5.918e-04 6.376e-03 /

5743.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-0.7	+1.1	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-1.6	+0.7	+1.8

Chebyshev(coeffs=[[1.44607,-1.95505,-0.0401619,0.00853389],[5.56406,1.0558,-0.174177,0.00329272],[0.909274,0.569685,-0.0166276,-0.0921987],[-0.0903695,0.15382,0.0559128,-0.0104916],[-0.0908849,0.00151738,0.0239835,0.0224278],[0.00418563,-0.0503411,-0.00625297,0.00814401]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.15
S298 (cal/mol*K) = -10.06
G298 (kcal/mol) = -4.15

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(865); H(25), C7H10(865); C7H9(5)+H(25)(+M)=>C7H10(865)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.446e+00 -1.955e+00 -4.016e-02 8.534e-03 / CHEB/ 5.564e+00 1.056e+00 -1.742e-01 3.293e-03 / CHEB/ 9.093e-01 5.697e-01 -1.663e-02 -9.220e-02 / CHEB/ -9.037e-02 1.538e-01 5.591e-02 -1.049e-02 / CHEB/ -9.088e-02 1.517e-03 2.398e-02 2.243e-02 / CHEB/ 4.186e-03 -5.034e-02 -6.253e-03 8.144e-03 /

5744.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.3	-1.6	+0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-2.4	+0.1	+1.3

Chebyshev(coeffs=[[0.0788323,-1.92704,-0.0347124,0.0226331],[6.40828,1.09368,-0.192877,-0.0232252],[0.950854,0.548832,-0.000547539,-0.084717],[-0.0735756,0.139218,0.0580839,-0.00159432],[-0.0763382,-0.0110906,0.0228565,0.0191345],[0.0115222,-0.0600016,-0.00337332,0.00615873]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.83
S298 (cal/mol*K) = -11.54
G298 (kcal/mol) = 1.61

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(866); H(25), C7H10(866); C7H9(5)+H(25)(+M)=>C7H10(866)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.883e-02 -1.927e+00 -3.471e-02 2.263e-02 / CHEB/ 6.408e+00 1.094e+00 -1.929e-01 -2.323e-02 / CHEB/ 9.509e-01 5.488e-01 -5.475e-04 -8.472e-02 / CHEB/ -7.358e-02 1.392e-01 5.808e-02 -1.594e-03 / CHEB/ -7.634e-02 -1.109e-02 2.286e-02 1.913e-02 / CHEB/ 1.152e-02 -6.000e-02 -3.373e-03 6.159e-03 /

5745.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-3.2	-1.4	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-4.0	-1.7	-0.8

Chebyshev(coeffs=[[-1.4462,-1.90274,-0.0312148,0.0347916],[6.10957,1.1139,-0.205938,-0.0468557],[0.748727,0.532684,0.0130048,-0.0742603],[-0.118074,0.130113,0.0573953,0.00222903],[-0.086812,-0.0206758,0.0226313,0.0162793],[0.00858928,-0.0656679,-0.0014008,0.00569216]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.00
S298 (cal/mol*K) = -15.62
G298 (kcal/mol) = -12.34

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(867); H(25), C7H10(867); C7H9(5)+H(25)(+M)=>C7H10(867)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.446e+00 -1.903e+00 -3.121e-02 3.479e-02 / CHEB/ 6.110e+00 1.114e+00 -2.059e-01 -4.686e-02 / CHEB/ 7.487e-01 5.327e-01 1.300e-02 -7.426e-02 / CHEB/ -1.181e-01 1.301e-01 5.740e-02 2.229e-03 / CHEB/ -8.681e-02 -2.068e-02 2.263e-02 1.628e-02 / CHEB/ 8.589e-03 -6.567e-02 -1.401e-03 5.692e-03 /

5746.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-2.6	+0.4	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-3.2	+0.2	+1.8

Chebyshev(coeffs=[[-3.81696,-1.63663,-0.075393,0.0325058],[10.8716,1.09275,-0.176543,-0.0827872],[0.721436,0.450599,0.0635141,-0.0295495],[0.0239605,0.0363706,0.0566427,0.00261504],[-0.0156848,-0.0765832,0.0207129,0.0136873],[0.0183123,-0.0668775,-0.00332723,0.00989274]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.55
S298 (cal/mol*K) = -2.66
G298 (kcal/mol) = 11.35

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(868); H(25), C7H10(868); C7H9(5)+H(25)(+M)=>C7H10(868)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.817e+00 -1.637e+00 -7.539e-02 3.251e-02 / CHEB/ 1.087e+01 1.093e+00 -1.765e-01 -8.279e-02 / CHEB/ 7.214e-01 4.506e-01 6.351e-02 -2.955e-02 / CHEB/ 2.396e-02 3.637e-02 5.664e-02 2.615e-03 / CHEB/ -1.568e-02 -7.658e-02 2.071e-02 1.369e-02 / CHEB/ 1.831e-02 -6.688e-02 -3.327e-03 9.893e-03 /

5747.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-1.6	+1.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-2.3	+0.9	+2.4

Chebyshev(coeffs=[[-2.10603,-1.71825,-0.0547465,0.0461859],[9.73017,1.09827,-0.200232,-0.0940591],[0.739991,0.480875,0.0535894,-0.0322578],[-0.00889859,0.0693839,0.0548289,0.00154492],[-0.0330068,-0.0625568,0.0231477,0.0114059],[0.0159945,-0.072274,-0.000480398,0.00921614]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.95
S298 (cal/mol*K) = -1.13
G298 (kcal/mol) = 6.29

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(869); H(25), C7H10(869); C7H9(5)+H(25)(+M)=>C7H10(869)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.106e+00 -1.718e+00 -5.475e-02 4.619e-02 / CHEB/ 9.730e+00 1.098e+00 -2.002e-01 -9.406e-02 / CHEB/ 7.400e-01 4.809e-01 5.359e-02 -3.226e-02 / CHEB/ -8.899e-03 6.938e-02 5.483e-02 1.545e-03 / CHEB/ -3.301e-02 -6.256e-02 2.315e-02 1.141e-02 / CHEB/ 1.599e-02 -7.227e-02 -4.804e-04 9.216e-03 /

5748.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-2.4	+0.1	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-3.1	-0.2	+1.3

Chebyshev(coeffs=[[-1.93157,-1.81214,-0.0343955,0.0531682],[8.31474,1.13312,-0.216743,-0.091764],[0.890257,0.504067,0.041148,-0.0452505],[-0.0263161,0.0975539,0.0557376,0.00448242],[-0.0449915,-0.048329,0.0237055,0.011814],[0.0239362,-0.0755745,0.00081361,0.00716143]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.83
S298 (cal/mol*K) = -11.54
G298 (kcal/mol) = 1.61

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(870); H(25), C7H10(870); C7H9(5)+H(25)(+M)=>C7H10(870)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.932e+00 -1.812e+00 -3.440e-02 5.317e-02 / CHEB/ 8.315e+00 1.133e+00 -2.167e-01 -9.176e-02 / CHEB/ 8.903e-01 5.041e-01 4.115e-02 -4.525e-02 / CHEB/ -2.632e-02 9.755e-02 5.574e-02 4.482e-03 / CHEB/ -4.499e-02 -4.833e-02 2.371e-02 1.181e-02 / CHEB/ 2.394e-02 -7.557e-02 8.136e-04 7.161e-03 /

5749.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-9.0	-4.8	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-21.4	-9.3	-4.9	-2.7

Chebyshev(coeffs=[[-13.5359,-1.17925,-0.227043,3.20562e-05],[16.2841,0.885245,0.0145121,-0.0679555],[0.363726,0.258854,0.0891114,-0.00961067],[0.117377,-0.0627876,0.0366594,0.0175704],[0.107591,-0.0661857,-0.000632641,0.0154974],[-0.0336969,-0.0138128,-0.0104222,0.00263854]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.27
S298 (cal/mol*K) = -6.04
G298 (kcal/mol) = 29.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(871); H(25), C7H10(871); C7H9(5)+H(25)(+M)=>C7H10(871)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.354e+01 -1.179e+00 -2.270e-01 3.206e-05 / CHEB/ 1.628e+01 8.852e-01 1.451e-02 -6.796e-02 / CHEB/ 3.637e-01 2.589e-01 8.911e-02 -9.611e-03 / CHEB/ 1.174e-01 -6.279e-02 3.666e-02 1.757e-02 / CHEB/ 1.076e-01 -6.619e-02 -6.326e-04 1.550e-02 / CHEB/ -3.370e-02 -1.381e-02 -1.042e-02 2.639e-03 /

5750.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.2	-7.4	-3.6	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-19.2	-7.8	-3.8	-1.8

Chebyshev(coeffs=[[-11.0602,-1.33693,-0.180126,0.00922677],[14.6744,0.969998,-0.050668,-0.0703509],[0.503014,0.324223,0.0824953,-0.0191747],[0.0601277,-0.0413733,0.0484112,0.0122608],[-0.00376131,-0.0789931,0.00723285,0.0171196],[-0.0209736,-0.0303817,-0.0102033,0.00607681]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.45
S298 (cal/mol*K) = -4.56
G298 (kcal/mol) = 19.81

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(872); H(25), C7H10(872); C7H9(5)+H(25)(+M)=>C7H10(872)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.106e+01 -1.337e+00 -1.801e-01 9.227e-03 / CHEB/ 1.467e+01 9.700e-01 -5.067e-02 -7.035e-02 / CHEB/ 5.030e-01 3.242e-01 8.250e-02 -1.917e-02 / CHEB/ 6.013e-02 -4.137e-02 4.841e-02 1.226e-02 / CHEB/ -3.761e-03 -7.899e-02 7.233e-03 1.712e-02 / CHEB/ -2.097e-02 -3.038e-02 -1.020e-02 6.077e-03 /

5751.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-1.9	-0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-2.8	-0.5	+0.5

Chebyshev(coeffs=[[0.322267,-1.95852,-0.0407787,0.00700478],[5.45991,1.05046,-0.171921,0.00614262],[0.901147,0.571991,-0.0183801,-0.092629],[-0.0919474,0.155985,0.0553569,-0.011828],[-0.0927768,0.00314718,0.0241476,0.022715],[0.00310705,-0.0489728,-0.00659583,0.00850153]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.48
S298 (cal/mol*K) = -10.52
G298 (kcal/mol) = -1.34

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(873); H(25), C7H10(873); C7H9(5)+H(25)(+M)=>C7H10(873)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.223e-01 -1.959e+00 -4.078e-02 7.005e-03 / CHEB/ 5.460e+00 1.050e+00 -1.719e-01 6.143e-03 / CHEB/ 9.011e-01 5.720e-01 -1.838e-02 -9.263e-02 / CHEB/ -9.195e-02 1.560e-01 5.536e-02 -1.183e-02 / CHEB/ -9.278e-02 3.147e-03 2.415e-02 2.272e-02 / CHEB/ 3.107e-03 -4.897e-02 -6.596e-03 8.502e-03 /

5752.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-6.8	-3.5	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-17.4	-7.3	-3.7	-2.0

Chebyshev(coeffs=[[-9.13632,-1.50975,-0.121102,0.017679],[12.5815,1.04475,-0.124192,-0.070481],[0.571129,0.397995,0.0717674,-0.0277452],[0.0360835,-0.000676195,0.0552961,0.00560902],[-0.00806932,-0.0824732,0.0157319,0.0162781],[-0.00226407,-0.0519184,-0.00700507,0.00905184]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.62
S298 (cal/mol*K) = -5.02
G298 (kcal/mol) = 26.12

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(874); H(25), C7H10(874); C7H9(5)+H(25)(+M)=>C7H10(874)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.136e+00 -1.510e+00 -1.211e-01 1.768e-02 / CHEB/ 1.258e+01 1.045e+00 -1.242e-01 -7.048e-02 / CHEB/ 5.711e-01 3.980e-01 7.177e-02 -2.775e-02 / CHEB/ 3.608e-02 -6.762e-04 5.530e-02 5.609e-03 / CHEB/ -8.069e-03 -8.247e-02 1.573e-02 1.628e-02 / CHEB/ -2.264e-03 -5.192e-02 -7.005e-03 9.052e-03 /

5753.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-5.9	-2.8	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-6.4	-3.0	-1.4

Chebyshev(coeffs=[[-7.20701,-1.62156,-0.0830542,0.0293287],[11.1096,1.07719,-0.168995,-0.0788437],[0.651852,0.44558,0.0628611,-0.0303757],[0.0150158,0.0351997,0.0560857,0.00220833],[-0.0185754,-0.075316,0.0204124,0.0138864],[0.00906199,-0.0648016,-0.00349005,0.00988055]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.45
S298 (cal/mol*K) = -4.56
G298 (kcal/mol) = 19.81

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(875); H(25), C7H10(875); C7H9(5)+H(25)(+M)=>C7H10(875)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.207e+00 -1.622e+00 -8.305e-02 2.933e-02 / CHEB/ 1.111e+01 1.077e+00 -1.690e-01 -7.884e-02 / CHEB/ 6.519e-01 4.456e-01 6.286e-02 -3.038e-02 / CHEB/ 1.502e-02 3.520e-02 5.609e-02 2.208e-03 / CHEB/ -1.858e-02 -7.532e-02 2.041e-02 1.389e-02 / CHEB/ 9.062e-03 -6.480e-02 -3.490e-03 9.881e-03 /

5754.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-7.3	-3.7	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-7.8	-3.9	-2.1

Chebyshev(coeffs=[[-10.2727,-1.45532,-0.139728,0.014501],[13.5814,1.02532,-0.101479,-0.0698271],[0.639496,0.373816,0.0757922,-0.0253388],[0.056779,-0.015984,0.0537702,0.0077653],[-0.0123055,-0.0831721,0.0131705,0.0168814],[-0.0472748,-0.0445108,-0.00843597,0.00821194]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.27
S298 (cal/mol*K) = -6.04
G298 (kcal/mol) = 29.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(876); H(25), C7H10(876); C7H9(5)+H(25)(+M)=>C7H10(876)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.027e+01 -1.455e+00 -1.397e-01 1.450e-02 / CHEB/ 1.358e+01 1.025e+00 -1.015e-01 -6.983e-02 / CHEB/ 6.395e-01 3.738e-01 7.579e-02 -2.534e-02 / CHEB/ 5.678e-02 -1.598e-02 5.377e-02 7.765e-03 / CHEB/ -1.231e-02 -8.317e-02 1.317e-02 1.688e-02 / CHEB/ -4.727e-02 -4.451e-02 -8.436e-03 8.212e-03 /

5755.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.9	-2.8	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-6.4	-3.0	-1.3

Chebyshev(coeffs=[[-7.39463,-1.6064,-0.0880308,0.0271641],[11.4163,1.0734,-0.163243,-0.0769388],[0.660759,0.439411,0.0641221,-0.0301976],[0.0248468,0.0299949,0.0561629,0.00254647],[-0.0146829,-0.076751,0.0198459,0.0142854],[0.00842072,-0.0632382,-0.00400017,0.00985137]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.65
S298 (cal/mol*K) = -4.98
G298 (kcal/mol) = 22.14

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(877); H(25), C7H10(877); C7H9(5)+H(25)(+M)=>C7H10(877)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.395e+00 -1.606e+00 -8.803e-02 2.716e-02 / CHEB/ 1.142e+01 1.073e+00 -1.632e-01 -7.694e-02 / CHEB/ 6.608e-01 4.394e-01 6.412e-02 -3.020e-02 / CHEB/ 2.485e-02 2.999e-02 5.616e-02 2.546e-03 / CHEB/ -1.468e-02 -7.675e-02 1.985e-02 1.429e-02 / CHEB/ 8.421e-03 -6.324e-02 -4.000e-03 9.851e-03 /

5756.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-6.7	-3.5	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-17.3	-7.2	-3.6	-1.9

Chebyshev(coeffs=[[-9.00626,-1.50975,-0.121102,0.017679],[12.5147,1.04475,-0.124192,-0.070481],[0.556389,0.397995,0.0717674,-0.0277452],[0.0317439,-0.000676195,0.0552961,0.00560902],[-0.00950617,-0.0824732,0.0157319,0.0162781],[-0.00277027,-0.0519184,-0.00700507,0.00905184]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.62
S298 (cal/mol*K) = -5.02
G298 (kcal/mol) = 26.12

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(878); H(25), C7H10(878); C7H9(5)+H(25)(+M)=>C7H10(878)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.006e+00 -1.510e+00 -1.211e-01 1.768e-02 / CHEB/ 1.251e+01 1.045e+00 -1.242e-01 -7.048e-02 / CHEB/ 5.564e-01 3.980e-01 7.177e-02 -2.775e-02 / CHEB/ 3.174e-02 -6.762e-04 5.530e-02 5.609e-03 / CHEB/ -9.506e-03 -8.247e-02 1.573e-02 1.628e-02 / CHEB/ -2.770e-03 -5.192e-02 -7.005e-03 9.052e-03 /

5757.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-5.5	-2.6	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-15.2	-6.1	-2.8	-1.2

Chebyshev(coeffs=[[-6.7083,-1.64333,-0.0761349,0.0327564],[10.8253,1.08213,-0.176865,-0.0819461],[0.674795,0.454394,0.0608979,-0.0306275],[0.0115228,0.0428064,0.0559211,0.00183158],[-0.0210268,-0.0729764,0.0211756,0.0132877],[0.0111002,-0.0669017,-0.00275663,0.00986234]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.65
S298 (cal/mol*K) = -4.98
G298 (kcal/mol) = 22.14

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(879); H(25), C7H10(879); C7H9(5)+H(25)(+M)=>C7H10(879)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.708e+00 -1.643e+00 -7.613e-02 3.276e-02 / CHEB/ 1.083e+01 1.082e+00 -1.769e-01 -8.195e-02 / CHEB/ 6.748e-01 4.544e-01 6.090e-02 -3.063e-02 / CHEB/ 1.152e-02 4.281e-02 5.592e-02 1.832e-03 / CHEB/ -2.103e-02 -7.298e-02 2.118e-02 1.329e-02 / CHEB/ 1.110e-02 -6.690e-02 -2.757e-03 9.862e-03 /

5758.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-0.6	+2.1	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-1.2	+1.8	+3.3

Chebyshev(coeffs=[[-0.799219,-1.73554,-0.0504906,0.0490507],[9.35433,1.10201,-0.20456,-0.0962265],[0.728969,0.485977,0.0516753,-0.0332237],[-0.021786,0.075435,0.054561,0.001709],[-0.0387029,-0.0596559,0.023423,0.0111175],[0.0158325,-0.0730118,-6.63598e-05,0.00893537]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.06
S298 (cal/mol*K) = 3.41
G298 (kcal/mol) = 17.05

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(881); H(25), C7H10(881); C7H9(5)+H(25)(+M)=>C7H10(881)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.992e-01 -1.736e+00 -5.049e-02 4.905e-02 / CHEB/ 9.354e+00 1.102e+00 -2.046e-01 -9.623e-02 / CHEB/ 7.290e-01 4.860e-01 5.168e-02 -3.322e-02 / CHEB/ -2.179e-02 7.544e-02 5.456e-02 1.709e-03 / CHEB/ -3.870e-02 -5.966e-02 2.342e-02 1.112e-02 / CHEB/ 1.583e-02 -7.301e-02 -6.636e-05 8.935e-03 /

5759.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-1.1	+2.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-1.5	+2.4	+4.3

Chebyshev(coeffs=[[-4.2337,-1.39358,-0.159208,0.0116648],[13.9716,1.0048,-0.075717,-0.070091],[0.487813,0.348009,0.0803929,-0.0220286],[0.0574103,-0.0330303,0.0516892,0.0105527],[0.0339683,-0.0844855,0.0100317,0.0174464],[-0.00119337,-0.0373243,-0.00991442,0.00712021]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.36
S298 (cal/mol*K) = 9.38
G298 (kcal/mol) = 16.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(882); H(25), C7H10(882); C7H9(5)+H(25)(+M)=>C7H10(882)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.234e+00 -1.394e+00 -1.592e-01 1.166e-02 / CHEB/ 1.397e+01 1.005e+00 -7.572e-02 -7.009e-02 / CHEB/ 4.878e-01 3.480e-01 8.039e-02 -2.203e-02 / CHEB/ 5.741e-02 -3.303e-02 5.169e-02 1.055e-02 / CHEB/ 3.397e-02 -8.449e-02 1.003e-02 1.745e-02 / CHEB/ -1.193e-03 -3.732e-02 -9.914e-03 7.120e-03 /

5760.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-0.8	+2.8	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-1.3	+2.6	+4.5

Chebyshev(coeffs=[[-3.97173,-1.41295,-0.154946,0.0127126],[13.8961,1.00481,-0.0824114,-0.0700194],[0.550208,0.357987,0.077542,-0.0234031],[0.0612046,-0.0257791,0.0524351,0.00932412],[-0.00143688,-0.0827039,0.0111879,0.017142],[-0.0118027,-0.0398324,-0.00919794,0.00756553]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.94
S298 (cal/mol*K) = 9.00
G298 (kcal/mol) = 16.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(883); H(25), C7H10(883); C7H9(5)+H(25)(+M)=>C7H10(883)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.972e+00 -1.413e+00 -1.549e-01 1.271e-02 / CHEB/ 1.390e+01 1.005e+00 -8.241e-02 -7.002e-02 / CHEB/ 5.502e-01 3.580e-01 7.754e-02 -2.340e-02 / CHEB/ 6.120e-02 -2.578e-02 5.244e-02 9.324e-03 / CHEB/ -1.437e-03 -8.270e-02 1.119e-02 1.714e-02 / CHEB/ -1.180e-02 -3.983e-02 -9.198e-03 7.566e-03 /

5761.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-0.9	+2.8	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-1.3	+2.6	+4.5

Chebyshev(coeffs=[[-4.23629,-1.38525,-0.164164,0.0114438],[14.1897,0.993101,-0.0709852,-0.0701719],[0.534481,0.345275,0.0795943,-0.021889],[0.0609578,-0.0320005,0.0510798,0.0104269],[-0.00175183,-0.081691,0.00973485,0.0172052],[-0.0151607,-0.0362817,-0.00964601,0.00704136]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.06
S298 (cal/mol*K) = 8.61
G298 (kcal/mol) = 17.49

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(884); H(25), C7H10(884); C7H9(5)+H(25)(+M)=>C7H10(884)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.236e+00 -1.385e+00 -1.642e-01 1.144e-02 / CHEB/ 1.419e+01 9.931e-01 -7.099e-02 -7.017e-02 / CHEB/ 5.345e-01 3.453e-01 7.959e-02 -2.189e-02 / CHEB/ 6.096e-02 -3.200e-02 5.108e-02 1.043e-02 / CHEB/ -1.752e-03 -8.169e-02 9.735e-03 1.721e-02 / CHEB/ -1.516e-02 -3.628e-02 -9.646e-03 7.041e-03 /

5762.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.9	-5.5	-2.1	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-5.9	-2.3	-0.6

Chebyshev(coeffs=[[-7.79091,-1.50448,-0.122943,0.0173315],[12.6351,1.04287,-0.121966,-0.0703533],[0.565228,0.395757,0.0721316,-0.0275501],[0.0361841,-0.00220104,0.0551915,0.00580556],[-0.00800789,-0.0826224,0.0154918,0.0163536],[-0.00292728,-0.0512622,-0.0071494,0.00898445]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.75
S298 (cal/mol*K) = -9.81
G298 (kcal/mol) = 28.67

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(885); H(25), C7H10(885); C7H9(5)+H(25)(+M)=>C7H10(885)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.791e+00 -1.504e+00 -1.229e-01 1.733e-02 / CHEB/ 1.264e+01 1.043e+00 -1.220e-01 -7.035e-02 / CHEB/ 5.652e-01 3.958e-01 7.213e-02 -2.755e-02 / CHEB/ 3.618e-02 -2.201e-03 5.519e-02 5.806e-03 / CHEB/ -8.008e-03 -8.262e-02 1.549e-02 1.635e-02 / CHEB/ -2.927e-03 -5.126e-02 -7.149e-03 8.984e-03 /

5763.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-10.1	-6.3	-4.5
log₁₀(k(10 bar)/[mole,m,s])	-22.2	-10.4	-6.4	-4.6

Chebyshev(coeffs=[[-14.4044,-1.17263,-0.230609,-0.000415309],[15.5864,0.874663,0.0177642,-0.067625],[0.258071,0.257141,0.0885821,-0.00948482],[0.00743291,-0.0601996,0.0363171,0.017327],[-0.0328347,-0.0625078,-0.000656374,0.0150681],[-0.043897,-0.0135898,-0.0101384,0.00260036]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.78
S298 (cal/mol*K) = -14.96
G298 (kcal/mol) = 17.24

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(886); H(25), C7H10(886); C7H9(5)+H(25)(+M)=>C7H10(886)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.440e+01 -1.173e+00 -2.306e-01 -4.153e-04 / CHEB/ 1.559e+01 8.747e-01 1.776e-02 -6.763e-02 / CHEB/ 2.581e-01 2.571e-01 8.858e-02 -9.485e-03 / CHEB/ 7.433e-03 -6.020e-02 3.632e-02 1.733e-02 / CHEB/ -3.283e-02 -6.251e-02 -6.564e-04 1.507e-02 / CHEB/ -4.390e-02 -1.359e-02 -1.014e-02 2.600e-03 /

5788.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-5.6	-2.2	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-6.1	-2.5	-0.5

Chebyshev(coeffs=[[-8.70829,-1.12165,-0.557775,-0.158543],[13.729,0.81641,0.356314,0.064463],[0.303685,0.0624047,0.058157,0.0338834],[0.0964956,0.059083,0.0283388,0.00821403],[0.0582528,0.0608862,0.0268769,0.00371067],[0.028594,0.0187392,0.0115762,0.0037905]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.75
S298 (cal/mol*K) = 21.98
G298 (kcal/mol) = 28.20

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(947); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(947)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.708e+00 -1.122e+00 -5.578e-01 -1.585e-01 / CHEB/ 1.373e+01 8.164e-01 3.563e-01 6.446e-02 / CHEB/ 3.037e-01 6.240e-02 5.816e-02 3.388e-02 / CHEB/ 9.650e-02 5.908e-02 2.834e-02 8.214e-03 / CHEB/ 5.825e-02 6.089e-02 2.688e-02 3.711e-03 / CHEB/ 2.859e-02 1.874e-02 1.158e-02 3.790e-03 /

5789.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+1.6	+2.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+0.7	+2.4	+3.4

Chebyshev(coeffs=[[3.42811,-2.88865,-0.580821,-0.0625415],[5.56917,2.40413,0.104536,-0.0660488],[0.351588,0.102105,0.202756,0.0205707],[0.00198942,-0.0101867,0.0736429,0.0233205],[0.0143313,0.0688982,0.0179503,0.010849],[0.000275742,0.0494469,0.00672111,0.00211104]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.34
S298 (cal/mol*K) = 22.19
G298 (kcal/mol) = -7.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(948); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(948)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.428e+00 -2.889e+00 -5.808e-01 -6.254e-02 / CHEB/ 5.569e+00 2.404e+00 1.045e-01 -6.605e-02 / CHEB/ 3.516e-01 1.021e-01 2.028e-01 2.057e-02 / CHEB/ 1.989e-03 -1.019e-02 7.364e-02 2.332e-02 / CHEB/ 1.433e-02 6.890e-02 1.795e-02 1.085e-02 / CHEB/ 2.757e-04 4.945e-02 6.721e-03 2.111e-03 /

5790.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+2.2	+3.4	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+1.3	+3.0	+3.8

Chebyshev(coeffs=[[4.07646,-2.90872,-0.584432,-0.0619578],[5.4543,2.39244,0.098582,-0.0676008],[0.302068,0.108664,0.199743,0.0194703],[-0.0165571,-0.00743823,0.0746255,0.0226949],[0.00655087,0.0693956,0.0188876,0.0107807],[-0.00310519,0.0499713,0.00694056,0.00219603]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.10
S298 (cal/mol*K) = 32.21
G298 (kcal/mol) = -19.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(949); H(25), CH3(423); C7H10(1)+H(25)(+M)=>CH3(423)+C6H8(949)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.076e+00 -2.909e+00 -5.844e-01 -6.196e-02 / CHEB/ 5.454e+00 2.392e+00 9.858e-02 -6.760e-02 / CHEB/ 3.021e-01 1.087e-01 1.997e-01 1.947e-02 / CHEB/ -1.656e-02 -7.438e-03 7.463e-02 2.269e-02 / CHEB/ 6.551e-03 6.940e-02 1.889e-02 1.078e-02 / CHEB/ -3.105e-03 4.997e-02 6.941e-03 2.196e-03 /

5791.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.1	-7.5	-3.8	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-18.7	-7.9	-4.0	-2.0

Chebyshev(coeffs=[[-11.6456,-0.926454,-0.490283,-0.160194],[15.3428,0.62211,0.298776,0.0735071],[0.166498,0.0586111,0.0464928,0.0269078],[0.0588091,0.0666143,0.0310809,0.00704665],[0.0363716,0.0595395,0.0283989,0.00525914],[0.021477,0.0166929,0.0110377,0.00445884]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.13
S298 (cal/mol*K) = 0.68
G298 (kcal/mol) = 3.93

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(950); H(25), C7H11(950); C7H10(1)+H(25)(+M)=>C7H11(950)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.165e+01 -9.265e-01 -4.903e-01 -1.602e-01 / CHEB/ 1.534e+01 6.221e-01 2.988e-01 7.351e-02 / CHEB/ 1.665e-01 5.861e-02 4.649e-02 2.691e-02 / CHEB/ 5.881e-02 6.661e-02 3.108e-02 7.047e-03 / CHEB/ 3.637e-02 5.954e-02 2.840e-02 5.259e-03 / CHEB/ 2.148e-02 1.669e-02 1.104e-02 4.459e-03 /

5792.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-5.9	-2.8	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-6.3	-3.0	-1.2

Chebyshev(coeffs=[[-8.55077,-1.203,-0.586316,-0.158735],[12.9732,0.855643,0.36142,0.0575082],[0.197727,0.0744745,0.0650591,0.0350499],[0.059732,0.0615093,0.0299795,0.00920907],[0.0423298,0.0642451,0.0274891,0.00342238],[0.0212903,0.0223396,0.0128293,0.00351256]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.37
S298 (cal/mol*K) = 0.68
G298 (kcal/mol) = -3.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(951); H(25), C7H11(951); C7H10(1)+H(25)(+M)=>C7H11(951)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.551e+00 -1.203e+00 -5.863e-01 -1.587e-01 / CHEB/ 1.297e+01 8.556e-01 3.614e-01 5.751e-02 / CHEB/ 1.977e-01 7.447e-02 6.506e-02 3.505e-02 / CHEB/ 5.973e-02 6.151e-02 2.998e-02 9.209e-03 / CHEB/ 4.233e-02 6.425e-02 2.749e-02 3.422e-03 / CHEB/ 2.129e-02 2.234e-02 1.283e-02 3.513e-03 /

5793.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.3	-7.7	-4.1	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-8.1	-4.3	-2.2

Chebyshev(coeffs=[[-11.7872,-0.940846,-0.495578,-0.160271],[15.1919,0.638707,0.304544,0.073362],[0.177449,0.0586509,0.0472853,0.0275139],[0.0700633,0.0656627,0.0306526,0.00705639],[0.0481897,0.0592248,0.0280973,0.00508938],[0.0251655,0.0165907,0.0109719,0.00440235]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.13
S298 (cal/mol*K) = 0.68
G298 (kcal/mol) = 3.93

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(952); H(25), C7H11(952); C7H10(1)+H(25)(+M)=>C7H11(952)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.179e+01 -9.408e-01 -4.956e-01 -1.603e-01 / CHEB/ 1.519e+01 6.387e-01 3.045e-01 7.336e-02 / CHEB/ 1.774e-01 5.865e-02 4.729e-02 2.751e-02 / CHEB/ 7.006e-02 6.566e-02 3.065e-02 7.056e-03 / CHEB/ 4.819e-02 5.922e-02 2.810e-02 5.089e-03 / CHEB/ 2.517e-02 1.659e-02 1.097e-02 4.402e-03 /

5794.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-5.4	-2.2	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-5.9	-2.4	-0.5

Chebyshev(coeffs=[[-7.99171,-1.23152,-0.590772,-0.15461],[12.9234,0.915212,0.377598,0.0549482],[0.331024,0.0664809,0.0655687,0.0370462],[0.0953915,0.05581,0.0278506,0.00941932],[0.0560815,0.0625727,0.026436,0.00317037],[0.0274683,0.02089,0.0122108,0.0033913]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.27
S298 (cal/mol*K) = -0.05
G298 (kcal/mol) = -1.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(953); H(25), C7H11(953); C7H10(1)+H(25)(+M)=>C7H11(953)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.992e+00 -1.232e+00 -5.908e-01 -1.546e-01 / CHEB/ 1.292e+01 9.152e-01 3.776e-01 5.495e-02 / CHEB/ 3.310e-01 6.648e-02 6.557e-02 3.705e-02 / CHEB/ 9.539e-02 5.581e-02 2.785e-02 9.419e-03 / CHEB/ 5.608e-02 6.257e-02 2.644e-02 3.170e-03 / CHEB/ 2.747e-02 2.089e-02 1.221e-02 3.391e-03 /

5795.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-6.6	-3.3	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-16.7	-7.1	-3.5	-1.5

Chebyshev(coeffs=[[-9.49387,-1.16822,-0.571771,-0.156768],[13.3978,0.863014,0.367522,0.0607651],[0.333985,0.0628779,0.0610496,0.0354308],[0.101403,0.05704,0.0277904,0.00866499],[0.0594376,0.0612678,0.0265412,0.00343783],[0.0290824,0.0193383,0.0117288,0.00361846]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.23
S298 (cal/mol*K) = -0.85
G298 (kcal/mol) = 1.48

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(954); H(25), C7H11(954); C7H10(1)+H(25)(+M)=>C7H11(954)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.494e+00 -1.168e+00 -5.718e-01 -1.568e-01 / CHEB/ 1.340e+01 8.630e-01 3.675e-01 6.077e-02 / CHEB/ 3.340e-01 6.288e-02 6.105e-02 3.543e-02 / CHEB/ 1.014e-01 5.704e-02 2.779e-02 8.665e-03 / CHEB/ 5.944e-02 6.127e-02 2.654e-02 3.438e-03 / CHEB/ 2.908e-02 1.934e-02 1.173e-02 3.618e-03 /

5796.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-4.0	-1.9	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-4.7	-2.3	-0.9

Chebyshev(coeffs=[[-3.4166,-2.27543,-0.671645,-0.0692184],[7.80046,1.92403,0.322374,-0.0657116],[0.53556,0.0598913,0.157287,0.0445256],[0.0696079,0.00907737,0.0410779,0.0261566],[0.0386385,0.0728058,0.0170833,0.00453165],[0.0175279,0.0376376,0.0122372,-0.000154581]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.27
S298 (cal/mol*K) = -0.05
G298 (kcal/mol) = -1.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(955); H(25), C7H11(955); C7H10(1)+H(25)(+M)=>C7H11(955)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.417e+00 -2.275e+00 -6.716e-01 -6.922e-02 / CHEB/ 7.800e+00 1.924e+00 3.224e-01 -6.571e-02 / CHEB/ 5.356e-01 5.989e-02 1.573e-01 4.453e-02 / CHEB/ 6.961e-02 9.077e-03 4.108e-02 2.616e-02 / CHEB/ 3.864e-02 7.281e-02 1.708e-02 4.532e-03 / CHEB/ 1.753e-02 3.764e-02 1.224e-02 -1.546e-04 /

5797.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.1	-17.9	-10.1	-6.1
log₁₀(k(10 bar)/[mole,m,s])	-41.1	-18.0	-10.1	-6.1

Chebyshev(coeffs=[[-33.1519,-0.148343,-0.0965897,-0.0477715],[32.8465,0.0667327,0.043183,0.0210664],[0.0987288,0.00358078,0.000366168,-0.00154705],[0.0574073,0.0178688,0.011091,0.00499267],[0.0315081,0.0137381,0.00994349,0.00577961],[0.0117623,0.00462456,0.00363403,0.00233244]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 102.73
S298 (cal/mol*K) = 32.61
G298 (kcal/mol) = 93.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(956); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(956)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.315e+01 -1.483e-01 -9.659e-02 -4.777e-02 / CHEB/ 3.285e+01 6.673e-02 4.318e-02 2.107e-02 / CHEB/ 9.873e-02 3.581e-03 3.662e-04 -1.547e-03 / CHEB/ 5.741e-02 1.787e-02 1.109e-02 4.993e-03 / CHEB/ 3.151e-02 1.374e-02 9.943e-03 5.780e-03 / CHEB/ 1.176e-02 4.625e-03 3.634e-03 2.332e-03 /

5798.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-40.5	-17.2	-9.3	-5.3
log₁₀(k(10 bar)/[mole,m,s])	-40.5	-17.3	-9.4	-5.3

Chebyshev(coeffs=[[-32.5231,-0.148343,-0.0965897,-0.0477715],[32.9585,0.0667327,0.043183,0.0210664],[0.123471,0.00358078,0.000366168,-0.00154705],[0.0646918,0.0178688,0.011091,0.00499267],[0.0339199,0.0137381,0.00994349,0.00577961],[0.012612,0.00462456,0.00363403,0.00233244]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 102.73
S298 (cal/mol*K) = 32.61
G298 (kcal/mol) = 93.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(957); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(957)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.252e+01 -1.483e-01 -9.659e-02 -4.777e-02 / CHEB/ 3.296e+01 6.673e-02 4.318e-02 2.107e-02 / CHEB/ 1.235e-01 3.581e-03 3.662e-04 -1.547e-03 / CHEB/ 6.469e-02 1.787e-02 1.109e-02 4.993e-03 / CHEB/ 3.392e-02 1.374e-02 9.943e-03 5.780e-03 / CHEB/ 1.261e-02 4.625e-03 3.634e-03 2.332e-03 /

5799.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.4	-12.0	-5.6	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-31.5	-12.1	-5.7	-2.4

Chebyshev(coeffs=[[-24.0343,-0.232268,-0.146787,-0.0687199],[27.6553,0.116652,0.0731787,0.0336268],[-0.0790144,0.0122015,0.00430563,-0.000851575],[0.0160656,0.0282062,0.0164233,0.00641928],[0.0257351,0.0196827,0.0141041,0.00794883],[0.0118644,0.00469231,0.00427424,0.00309057]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.29
S298 (cal/mol*K) = 42.71
G298 (kcal/mol) = 74.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(958); H(25), CH3(423); C7H10(1)+H(25)(+M)=>CH3(423)+C6H8(958)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.403e+01 -2.323e-01 -1.468e-01 -6.872e-02 / CHEB/ 2.766e+01 1.167e-01 7.318e-02 3.363e-02 / CHEB/ -7.901e-02 1.220e-02 4.306e-03 -8.516e-04 / CHEB/ 1.607e-02 2.821e-02 1.642e-02 6.419e-03 / CHEB/ 2.574e-02 1.968e-02 1.410e-02 7.949e-03 / CHEB/ 1.186e-02 4.692e-03 4.274e-03 3.091e-03 /

5800.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.1	-15.6	-8.3	-4.5
log₁₀(k(10 bar)/[mole,m,s])	-37.2	-15.7	-8.3	-4.5

Chebyshev(coeffs=[[-29.3931,-0.187207,-0.120114,-0.0578306],[30.6206,0.0895503,0.0571003,0.027082],[0.111946,0.00761377,0.00215977,-0.00131575],[0.0672691,0.0226955,0.0136617,0.00576315],[0.0386891,0.0164211,0.0118961,0.00687245],[0.0152594,0.00465207,0.00392815,0.00269057]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.23
S298 (cal/mol*K) = 32.61
G298 (kcal/mol) = 85.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(959); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(959)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.939e+01 -1.872e-01 -1.201e-01 -5.783e-02 / CHEB/ 3.062e+01 8.955e-02 5.710e-02 2.708e-02 / CHEB/ 1.119e-01 7.614e-03 2.160e-03 -1.316e-03 / CHEB/ 6.727e-02 2.270e-02 1.366e-02 5.763e-03 / CHEB/ 3.869e-02 1.642e-02 1.190e-02 6.872e-03 / CHEB/ 1.526e-02 4.652e-03 3.928e-03 2.691e-03 /

5801.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.3	-16.4	-8.9	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-38.4	-16.4	-8.9	-5.1

Chebyshev(coeffs=[[-30.5256,-0.176871,-0.113909,-0.0552218],[31.1999,0.0834643,0.053423,0.0255244],[0.117542,0.0065172,0.00166351,-0.00139452],[0.0672222,0.0214089,0.012991,0.00557669],[0.0376724,0.0156967,0.0113802,0.00659512],[0.0146592,0.00464865,0.00385099,0.00259603]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.33
S298 (cal/mol*K) = 31.88
G298 (kcal/mol) = 87.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(710); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(710)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.053e+01 -1.769e-01 -1.139e-01 -5.522e-02 / CHEB/ 3.120e+01 8.346e-02 5.342e-02 2.552e-02 / CHEB/ 1.175e-01 6.517e-03 1.664e-03 -1.395e-03 / CHEB/ 6.722e-02 2.141e-02 1.299e-02 5.577e-03 / CHEB/ 3.767e-02 1.570e-02 1.138e-02 6.595e-03 / CHEB/ 1.466e-02 4.649e-03 3.851e-03 2.596e-03 /

5802.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.3	-16.4	-8.9	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-38.4	-16.4	-8.9	-5.1

H298 (kcal/mol) = 97.33
S298 (cal/mol*K) = 31.88
G298 (kcal/mol) = 87.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(960); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(960)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.053e+01 -1.769e-01 -1.139e-01 -5.522e-02 / CHEB/ 3.120e+01 8.346e-02 5.342e-02 2.552e-02 / CHEB/ 1.175e-01 6.517e-03 1.664e-03 -1.395e-03 / CHEB/ 6.722e-02 2.141e-02 1.299e-02 5.577e-03 / CHEB/ 3.767e-02 1.570e-02 1.138e-02 6.595e-03 / CHEB/ 1.466e-02 4.649e-03 3.851e-03 2.596e-03 /

5803.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.0	-16.2	-8.4	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-39.1	-16.3	-8.4	-4.3

Chebyshev(coeffs=[[-31.0263,-0.161006,-0.104289,-0.0510925],[32.3159,0.076806,0.0494085,0.023835],[0.210137,0.00476347,0.000893551,-0.0014786],[0.0972845,0.0189895,0.0116879,0.00517121],[0.0496857,0.0141495,0.0103128,0.00603773],[0.0176756,0.00439671,0.00357128,0.00236964]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.83
S298 (cal/mol*K) = 31.08
G298 (kcal/mol) = 90.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(961); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(961)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.103e+01 -1.610e-01 -1.043e-01 -5.109e-02 / CHEB/ 3.232e+01 7.681e-02 4.941e-02 2.384e-02 / CHEB/ 2.101e-01 4.763e-03 8.936e-04 -1.479e-03 / CHEB/ 9.728e-02 1.899e-02 1.169e-02 5.171e-03 / CHEB/ 4.969e-02 1.415e-02 1.031e-02 6.038e-03 / CHEB/ 1.768e-02 4.397e-03 3.571e-03 2.370e-03 /

5804.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-3.1	-0.8	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.8	-1.1	+0.3

Chebyshev(coeffs=[[-3.97083,-1.71521,-0.693646,-0.120857],[9.92677,1.3038,0.404095,-0.0038982],[0.27706,0.0959087,0.100117,0.0434406],[0.0373357,0.0433073,0.0320716,0.0166928],[0.0238015,0.0701946,0.0247937,0.00264877],[0.0120579,0.0323275,0.0146635,0.00161248]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.27
S298 (cal/mol*K) = 7.96
G298 (kcal/mol) = -9.64

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(962); H(25), C7H11(962); C7H10(1)+H(25)(+M)=>C7H11(962)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.971e+00 -1.715e+00 -6.936e-01 -1.209e-01 / CHEB/ 9.927e+00 1.304e+00 4.041e-01 -3.898e-03 / CHEB/ 2.771e-01 9.591e-02 1.001e-01 4.344e-02 / CHEB/ 3.734e-02 4.331e-02 3.207e-02 1.669e-02 / CHEB/ 2.380e-02 7.019e-02 2.479e-02 2.649e-03 / CHEB/ 1.206e-02 3.233e-02 1.466e-02 1.612e-03 /

5805.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-42.8	-18.3	-10.1	-5.9
log₁₀(k(10 bar)/[mole,m,s])	-42.8	-18.4	-10.1	-5.9

Chebyshev(coeffs=[[-34.7478,-0.122376,-0.080551,-0.0406247],[34.6632,0.0517489,0.0338414,0.016839],[0.0770696,0.000995685,-0.000765958,-0.00164753],[0.0461979,0.0146553,0.00929101,0.00436313],[0.0249703,0.01199,0.00861963,0.00498332],[0.00884017,0.00454988,0.00341532,0.00208663]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 108.44
S298 (cal/mol*K) = 38.41
G298 (kcal/mol) = 97.00

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(963); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(963)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.475e+01 -1.224e-01 -8.055e-02 -4.062e-02 / CHEB/ 3.466e+01 5.175e-02 3.384e-02 1.684e-02 / CHEB/ 7.707e-02 9.957e-04 -7.660e-04 -1.648e-03 / CHEB/ 4.620e-02 1.466e-02 9.291e-03 4.363e-03 / CHEB/ 2.497e-02 1.199e-02 8.620e-03 4.983e-03 / CHEB/ 8.840e-03 4.550e-03 3.415e-03 2.087e-03 /

5806.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-6.1	-2.9	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-6.5	-3.1	-1.3

Chebyshev(coeffs=[[-8.98639,-1.15467,-0.571397,-0.160264],[13.3544,0.813748,0.352068,0.06145],[0.194741,0.0714511,0.0616406,0.0338196],[0.0634028,0.0632775,0.0303355,0.00871223],[0.0450409,0.0642201,0.0279676,0.00368352],[0.0223665,0.021505,0.0126187,0.00370857]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.06
S298 (cal/mol*K) = -5.04
G298 (kcal/mol) = -8.55

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(964); H(25), C7H11(964); C7H10(1)+H(25)(+M)=>C7H11(964)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.986e+00 -1.155e+00 -5.714e-01 -1.603e-01 / CHEB/ 1.335e+01 8.137e-01 3.521e-01 6.145e-02 / CHEB/ 1.947e-01 7.145e-02 6.164e-02 3.382e-02 / CHEB/ 6.340e-02 6.328e-02 3.034e-02 8.712e-03 / CHEB/ 4.504e-02 6.422e-02 2.797e-02 3.684e-03 / CHEB/ 2.237e-02 2.151e-02 1.262e-02 3.709e-03 /

5807.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-6.1	-2.9	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-6.5	-3.1	-1.3

H298 (kcal/mol) = -3.13
S298 (cal/mol*K) = 3.09
G298 (kcal/mol) = -4.05

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(965); H(25), C7H11(965); C7H10(1)+H(25)(+M)=>C7H11(965)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.986e+00 -1.155e+00 -5.714e-01 -1.603e-01 / CHEB/ 1.335e+01 8.137e-01 3.521e-01 6.145e-02 / CHEB/ 1.947e-01 7.145e-02 6.164e-02 3.382e-02 / CHEB/ 6.340e-02 6.328e-02 3.034e-02 8.712e-03 / CHEB/ 4.504e-02 6.422e-02 2.797e-02 3.684e-03 / CHEB/ 2.237e-02 2.151e-02 1.262e-02 3.709e-03 /

5808.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.7	-7.1	-3.2	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-19.1	-7.4	-3.4	-1.2

Chebyshev(coeffs=[[-12.1798,-0.745367,-0.414068,-0.150393],[16.8035,0.472565,0.244764,0.0739775],[0.000813527,0.0492752,0.0350438,0.0197279],[0.0361035,0.0654502,0.0310267,0.00668953],[0.0429374,0.0533883,0.0277445,0.00706501],[0.0231544,0.0129658,0.00959254,0.00482514]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.20
S298 (cal/mol*K) = 37.04
G298 (kcal/mol) = -3.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(857); H(25), C2H4(115); C7H10(1)+H(25)(+M)=>C2H4(115)+C5H7(857)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.218e+01 -7.454e-01 -4.141e-01 -1.504e-01 / CHEB/ 1.680e+01 4.726e-01 2.448e-01 7.398e-02 / CHEB/ 8.135e-04 4.928e-02 3.504e-02 1.973e-02 / CHEB/ 3.610e-02 6.545e-02 3.103e-02 6.690e-03 / CHEB/ 4.294e-02 5.339e-02 2.774e-02 7.065e-03 / CHEB/ 2.315e-02 1.297e-02 9.593e-03 4.825e-03 /

5809.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-46.7	-21.4	-12.7	-8.2
log₁₀(k(10 bar)/[mole,m,s])	-46.8	-21.4	-12.7	-8.2

Chebyshev(coeffs=[[-38.4942,-0.11357,-0.0750252,-0.0380822],[35.8733,0.0494983,0.0324547,0.0162286],[0.254294,8.85424e-05,-0.00115822,-0.00166992],[0.0981368,0.0131868,0.00843991,0.0040372],[0.0419683,0.0109856,0.00790876,0.00458726],[0.0140213,0.00425219,0.00316237,0.00191259]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.43
S298 (cal/mol*K) = 22.86
G298 (kcal/mol) = 104.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(966); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(966)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.849e+01 -1.136e-01 -7.503e-02 -3.808e-02 / CHEB/ 3.587e+01 4.950e-02 3.245e-02 1.623e-02 / CHEB/ 2.543e-01 8.854e-05 -1.158e-03 -1.670e-03 / CHEB/ 9.814e-02 1.319e-02 8.440e-03 4.037e-03 / CHEB/ 4.197e-02 1.099e-02 7.909e-03 4.587e-03 / CHEB/ 1.402e-02 4.252e-03 3.162e-03 1.913e-03 /

5834.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.2	+4.5	+4.1	+3.6
log₁₀(k(10 bar)/[mole,m,s])	+4.6	+5.1	+4.9	+4.5

Chebyshev(coeffs=[[9.962,1.29259,-0.264201,-0.0322568],[-0.048381,0.307388,0.0796615,-0.0080846],[-0.0529465,0.201686,0.0649486,-0.00753352],[-0.168223,0.0947661,0.0374892,0.00197968],[-0.127887,0.00399246,0.010452,0.0082779],[-0.0446802,-0.0170304,-0.000423885,0.00520687]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -83.09
S298 (cal/mol*K) = -37.49
G298 (kcal/mol) = -71.92

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(292); H(25), C7H11(292); C7H10(18)+H(25)(+M)=>C7H11(292)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.962e+00 1.293e+00 -2.642e-01 -3.226e-02 / CHEB/ -4.838e-02 3.074e-01 7.966e-02 -8.085e-03 / CHEB/ -5.295e-02 2.017e-01 6.495e-02 -7.534e-03 / CHEB/ -1.682e-01 9.477e-02 3.749e-02 1.980e-03 / CHEB/ -1.279e-01 3.992e-03 1.045e-02 8.278e-03 / CHEB/ -4.468e-02 -1.703e-02 -4.239e-04 5.207e-03 /

5835.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.2	+4.5	+4.5	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+4.1	+4.4	+4.4

Chebyshev(coeffs=[[10.0424,-0.667909,-0.254255,-0.0338512],[0.31231,0.338502,0.0923567,-0.0063613],[0.0968052,0.196118,0.0704385,-0.00267995],[0.0268039,0.0811243,0.0375718,0.00550998],[-0.0198207,-0.00473667,0.00782067,0.00904804],[-0.0225689,-0.0203248,-0.0029632,0.00447334]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -91.38
S298 (cal/mol*K) = -35.04
G298 (kcal/mol) = -80.94

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(621); H(25), C7H11(621); C7H10(18)+H(25)(+M)=>C7H11(621)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.004e+01 -6.679e-01 -2.543e-01 -3.385e-02 / CHEB/ 3.123e-01 3.385e-01 9.236e-02 -6.361e-03 / CHEB/ 9.681e-02 1.961e-01 7.044e-02 -2.680e-03 / CHEB/ 2.680e-02 8.112e-02 3.757e-02 5.510e-03 / CHEB/ -1.982e-02 -4.737e-03 7.821e-03 9.048e-03 / CHEB/ -2.257e-02 -2.032e-02 -2.963e-03 4.473e-03 /

5836.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.2	+6.9	+7.3	+7.5
log₁₀(k(10 bar)/[mole,m,s])	+5.6	+6.6	+7.2	+7.5

Chebyshev(coeffs=[[12.206,-0.648302,-0.249571,-0.0348937],[0.893663,0.349835,0.0975787,-0.00542222],[0.293692,0.189516,0.0718912,-0.000200608],[0.0799386,0.0733218,0.0367349,0.00704873],[-0.0076643,-0.00843056,0.00615472,0.00908979],[-0.0194094,-0.0210841,-0.00416625,0.00389697]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.75
S298 (cal/mol*K) = 4.00
G298 (kcal/mol) = -45.94

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(494); H(25), C2H4(115); C7H10(18)+H(25)(+M)=>C2H4(115)+C5H7(494)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.221e+01 -6.483e-01 -2.496e-01 -3.489e-02 / CHEB/ 8.937e-01 3.498e-01 9.758e-02 -5.422e-03 / CHEB/ 2.937e-01 1.895e-01 7.189e-02 -2.006e-04 / CHEB/ 7.994e-02 7.332e-02 3.673e-02 7.049e-03 / CHEB/ -7.664e-03 -8.431e-03 6.155e-03 9.090e-03 / CHEB/ -1.941e-02 -2.108e-02 -4.166e-03 3.897e-03 /

5837.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	+1.4	+4.0	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-5.2	+1.3	+3.9	+5.3

Chebyshev(coeffs=[[1.99121,-0.369056,-0.184312,-0.0529955],[8.50871,0.22405,0.0937051,0.0157551],[0.683139,0.106633,0.0596463,0.0165513],[0.148356,0.0383109,0.0231955,0.00995047],[-0.000407046,-0.0116797,-0.00316841,0.00264243],[-0.0168976,-0.0160947,-0.00701101,-0.000831426]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.32
S298 (cal/mol*K) = 13.44
G298 (kcal/mol) = 16.32

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(494); H(25), C2H4(72); C7H10(18)+H(25)(+M)=>C2H4(72)+C5H7(494)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.991e+00 -3.691e-01 -1.843e-01 -5.300e-02 / CHEB/ 8.509e+00 2.241e-01 9.371e-02 1.576e-02 / CHEB/ 6.831e-01 1.066e-01 5.965e-02 1.655e-02 / CHEB/ 1.484e-01 3.831e-02 2.320e-02 9.950e-03 / CHEB/ -4.070e-04 -1.168e-02 -3.168e-03 2.642e-03 / CHEB/ -1.690e-02 -1.609e-02 -7.011e-03 -8.314e-04 /

5838.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+0.8	+3.5	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-6.2	+0.7	+3.4	+4.9

Chebyshev(coeffs=[[1.05434,-0.356567,-0.180473,-0.0533371],[9.02097,0.214653,0.0917391,0.0164564],[0.686779,0.104246,0.0586027,0.0168503],[0.154837,0.0378045,0.0228462,0.00984454],[0.00256852,-0.0114214,-0.00324231,0.00236411],[-0.0159327,-0.0158463,-0.00699757,-0.000920518]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.86
S298 (cal/mol*K) = 11.12
G298 (kcal/mol) = 18.55

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(83); H(25), CH3(423); C7H10(18)+H(25)(+M)=>C6H8(83)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.054e+00 -3.566e-01 -1.805e-01 -5.334e-02 / CHEB/ 9.021e+00 2.147e-01 9.174e-02 1.646e-02 / CHEB/ 6.868e-01 1.042e-01 5.860e-02 1.685e-02 / CHEB/ 1.548e-01 3.780e-02 2.285e-02 9.845e-03 / CHEB/ 2.569e-03 -1.142e-02 -3.242e-03 2.364e-03 / CHEB/ -1.593e-02 -1.585e-02 -6.998e-03 -9.205e-04 /

5839.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-3.4	-0.1	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-3.5	-0.2	+1.6

Chebyshev(coeffs=[[-4.37181,-0.312368,-0.165713,-0.0538828],[11.0643,0.181795,0.0837852,0.0184336],[0.723275,0.0951314,0.0544858,0.0177176],[0.182984,0.0359636,0.0216559,0.00939851],[0.0155438,-0.0103254,-0.00339898,0.00142265],[-0.0114967,-0.0148939,-0.0068988,-0.00119675]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.00
S298 (cal/mol*K) = 1.18
G298 (kcal/mol) = 28.65

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(70); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(70)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.372e+00 -3.124e-01 -1.657e-01 -5.388e-02 / CHEB/ 1.106e+01 1.818e-01 8.379e-02 1.843e-02 / CHEB/ 7.233e-01 9.513e-02 5.449e-02 1.772e-02 / CHEB/ 1.830e-01 3.596e-02 2.166e-02 9.399e-03 / CHEB/ 1.554e-02 -1.033e-02 -3.399e-03 1.423e-03 / CHEB/ -1.150e-02 -1.489e-02 -6.899e-03 -1.197e-03 /

5840.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-2.8	+0.4	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-3.0	+0.4	+2.1

Chebyshev(coeffs=[[-3.93848,-0.420572,-0.205166,-0.0531317],[11.204,0.27755,0.104905,0.00363662],[0.686599,0.0841206,0.0595106,0.0256683],[0.161961,0.0276953,0.018114,0.0104827],[0.0232029,0.00888583,0.0042204,0.00131311],[-0.00587959,-0.00204812,0.000447026,0.00112479]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.00
S298 (cal/mol*K) = 1.18
G298 (kcal/mol) = 28.65

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(64); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(64)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.938e+00 -4.206e-01 -2.052e-01 -5.313e-02 / CHEB/ 1.120e+01 2.775e-01 1.049e-01 3.637e-03 / CHEB/ 6.866e-01 8.412e-02 5.951e-02 2.567e-02 / CHEB/ 1.620e-01 2.770e-02 1.811e-02 1.048e-02 / CHEB/ 2.320e-02 8.886e-03 4.220e-03 1.313e-03 / CHEB/ -5.880e-03 -2.048e-03 4.470e-04 1.125e-03 /

5841.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-0.9	+2.5	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-1.0	+2.5	+4.3

Chebyshev(coeffs=[[-3.0905,-0.253178,-0.142851,-0.0526996],[12.7951,0.138965,0.0705741,0.0197712],[0.469003,0.0813306,0.04797,0.0180989],[0.126655,0.0331584,0.019989,0.00864129],[0.00290186,-0.0084725,-0.00330837,0.000396677],[-0.0155816,-0.0133657,-0.00658964,-0.00148526]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.15
S298 (cal/mol*K) = 17.19
G298 (kcal/mol) = 32.03

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H6(74); H(25), C3H5(489); C7H10(18)+H(25)(+M)=>C4H6(74)+C3H5(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.090e+00 -2.532e-01 -1.429e-01 -5.270e-02 / CHEB/ 1.280e+01 1.390e-01 7.057e-02 1.977e-02 / CHEB/ 4.690e-01 8.133e-02 4.797e-02 1.810e-02 / CHEB/ 1.267e-01 3.316e-02 1.999e-02 8.641e-03 / CHEB/ 2.902e-03 -8.472e-03 -3.308e-03 3.967e-04 / CHEB/ -1.558e-02 -1.337e-02 -6.590e-03 -1.485e-03 /

5842.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-0.8	+2.0	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-0.9	+2.0	+3.6

Chebyshev(coeffs=[[-0.455163,-0.372951,-0.185481,-0.0528735],[9.0037,0.22699,0.0942944,0.0155239],[0.825945,0.10736,0.0599603,0.0164544],[0.188671,0.0384694,0.0233068,0.00998174],[0.0127064,-0.0117556,-0.0031428,0.00272973],[-0.0122495,-0.0161706,-0.00701421,-0.000802617]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.80
S298 (cal/mol*K) = 0.08
G298 (kcal/mol) = 19.78

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(68); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(68)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.552e-01 -3.730e-01 -1.855e-01 -5.287e-02 / CHEB/ 9.004e+00 2.270e-01 9.429e-02 1.552e-02 / CHEB/ 8.259e-01 1.074e-01 5.996e-02 1.645e-02 / CHEB/ 1.887e-01 3.847e-02 2.331e-02 9.982e-03 / CHEB/ 1.271e-02 -1.176e-02 -3.143e-03 2.730e-03 / CHEB/ -1.225e-02 -1.617e-02 -7.014e-03 -8.026e-04 /

5843.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-0.8	+2.0	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-0.9	+2.0	+3.6

H298 (kcal/mol) = 19.80
S298 (cal/mol*K) = 0.08
G298 (kcal/mol) = 19.78

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(66); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(66)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.552e-01 -3.730e-01 -1.855e-01 -5.287e-02 / CHEB/ 9.004e+00 2.270e-01 9.429e-02 1.552e-02 / CHEB/ 8.259e-01 1.074e-01 5.996e-02 1.645e-02 / CHEB/ 1.887e-01 3.847e-02 2.331e-02 9.982e-03 / CHEB/ 1.271e-02 -1.176e-02 -3.143e-03 2.730e-03 / CHEB/ -1.225e-02 -1.617e-02 -7.014e-03 -8.026e-04 /

5844.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.4	+6.5	+6.4	+6.3
log₁₀(k(10 bar)/[mole,m,s])	+5.8	+6.1	+6.3	+6.2

Chebyshev(coeffs=[[12.1463,-0.675326,-0.256091,-0.0335091],[0.103982,0.333243,0.0900953,-0.006714],[0.0166804,0.19781,0.069603,-0.00362338],[0.00337184,0.0839368,0.0377142,0.00486054],[-0.0250809,-0.00313133,0.00840024,0.00895139],[-0.0241443,-0.0198257,-0.00247334,0.00465197]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -109.88
S298 (cal/mol*K) = -47.90
G298 (kcal/mol) = -95.60

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(460); H(25), C7H11(460); C7H10(18)+H(25)(+M)=>C7H11(460)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.215e+01 -6.753e-01 -2.561e-01 -3.351e-02 / CHEB/ 1.040e-01 3.332e-01 9.010e-02 -6.714e-03 / CHEB/ 1.668e-02 1.978e-01 6.960e-02 -3.623e-03 / CHEB/ 3.372e-03 8.394e-02 3.771e-02 4.861e-03 / CHEB/ -2.508e-02 -3.131e-03 8.400e-03 8.951e-03 / CHEB/ -2.414e-02 -1.983e-02 -2.473e-03 4.652e-03 /

5845.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-2.6	+0.5	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-2.7	+0.5	+2.1

Chebyshev(coeffs=[[-3.6483,-0.297844,-0.16044,-0.0538134],[11.0584,0.171151,0.0808161,0.0189061],[0.575378,0.0919118,0.0529953,0.0179131],[0.144522,0.0353218,0.0212637,0.00922772],[0.00419347,-0.00990789,-0.00341165,0.00113896],[-0.0154701,-0.0145499,-0.00684417,-0.00127516]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.41
S298 (cal/mol*K) = 8.56
G298 (kcal/mol) = 27.86

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(281); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(281)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.648e+00 -2.978e-01 -1.604e-01 -5.381e-02 / CHEB/ 1.106e+01 1.712e-01 8.082e-02 1.891e-02 / CHEB/ 5.754e-01 9.191e-02 5.300e-02 1.791e-02 / CHEB/ 1.445e-01 3.532e-02 2.126e-02 9.228e-03 / CHEB/ 4.193e-03 -9.908e-03 -3.412e-03 1.139e-03 / CHEB/ -1.547e-02 -1.455e-02 -6.844e-03 -1.275e-03 /

5846.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.5	+5.8	+5.9	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+4.9	+5.5	+5.8	+5.9

Chebyshev(coeffs=[[11.3204,-0.665715,-0.253834,-0.0340358],[0.421606,0.339305,0.0927112,-0.00632195],[0.119862,0.194923,0.0704413,-0.0024325],[0.0281014,0.0800644,0.0373981,0.00565429],[-0.0224353,-0.00513738,0.00760779,0.00902593],[-0.0236502,-0.0203252,-0.00308894,0.00439343]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.85
S298 (cal/mol*K) = -34.70
G298 (kcal/mol) = -56.51

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(962); H(25), C7H11(962); C7H10(18)+H(25)(+M)=>C7H11(962)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.132e+01 -6.657e-01 -2.538e-01 -3.404e-02 / CHEB/ 4.216e-01 3.393e-01 9.271e-02 -6.322e-03 / CHEB/ 1.199e-01 1.949e-01 7.044e-02 -2.433e-03 / CHEB/ 2.810e-02 8.006e-02 3.740e-02 5.654e-03 / CHEB/ -2.244e-02 -5.137e-03 7.608e-03 9.026e-03 / CHEB/ -2.365e-02 -2.033e-02 -3.089e-03 4.393e-03 /

5847.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+2.1	+4.1	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+1.9	+4.0	+5.2

Chebyshev(coeffs=[[4.63182,-0.48274,-0.21385,-0.0469942],[5.50431,0.309363,0.1066,0.00698609],[0.87689,0.125776,0.0666361,0.0131571],[0.154395,0.0437717,0.0271257,0.0105286],[-0.000211523,-0.0130285,-0.0018175,0.00517316],[-0.0161153,-0.0181522,-0.00700201,0.000223015]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.78
S298 (cal/mol*K) = 6.00
G298 (kcal/mol) = -4.57

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(442); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>CH2(T)(82)+C6H9(442)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.632e+00 -4.827e-01 -2.139e-01 -4.699e-02 / CHEB/ 5.504e+00 3.094e-01 1.066e-01 6.986e-03 / CHEB/ 8.769e-01 1.258e-01 6.664e-02 1.316e-02 / CHEB/ 1.544e-01 4.377e-02 2.713e-02 1.053e-02 / CHEB/ -2.115e-04 -1.303e-02 -1.818e-03 5.173e-03 / CHEB/ -1.612e-02 -1.815e-02 -7.002e-03 2.230e-04 /

5848.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-4.2	-0.8	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.3	-0.8	+1.1

Chebyshev(coeffs=[[-5.42353,-0.302096,-0.161811,-0.0536913],[11.5052,0.176978,0.0828291,0.018964],[0.755135,0.0919784,0.0532032,0.0179401],[0.197858,0.0346319,0.0209855,0.00925219],[0.0253542,-0.0104118,-0.00362662,0.00114693],[-0.00850988,-0.0146605,-0.00691205,-0.00131682]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.20
S298 (cal/mol*K) = -1.87
G298 (kcal/mol) = 30.76

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(967); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(967)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.424e+00 -3.021e-01 -1.618e-01 -5.369e-02 / CHEB/ 1.151e+01 1.770e-01 8.283e-02 1.896e-02 / CHEB/ 7.551e-01 9.198e-02 5.320e-02 1.794e-02 / CHEB/ 1.979e-01 3.463e-02 2.099e-02 9.252e-03 / CHEB/ 2.535e-02 -1.041e-02 -3.627e-03 1.147e-03 / CHEB/ -8.510e-03 -1.466e-02 -6.912e-03 -1.317e-03 /

5849.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+2.7	+3.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+1.7	+3.0	+3.5

Chebyshev(coeffs=[[5.25171,-3.20775,-0.742235,-0.00192888],[4.20846,2.61307,0.333189,-0.114935],[0.134602,0.328611,0.180808,0.0108159],[-0.0553348,0.0295494,0.035786,0.00917437],[-0.0421985,-0.0229826,0.0160343,0.0116868],[-0.0238706,-0.0298112,0.0049045,0.00968851]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.36
S298 (cal/mol*K) = -4.45
G298 (kcal/mol) = -13.03

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(755); H(25), C7H11(755); C7H10(1)+H(25)(+M)=>C7H11(755)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.252e+00 -3.208e+00 -7.422e-01 -1.929e-03 / CHEB/ 4.208e+00 2.613e+00 3.332e-01 -1.149e-01 / CHEB/ 1.346e-01 3.286e-01 1.808e-01 1.082e-02 / CHEB/ -5.533e-02 2.955e-02 3.579e-02 9.174e-03 / CHEB/ -4.220e-02 -2.298e-02 1.603e-02 1.169e-02 / CHEB/ -2.387e-02 -2.981e-02 4.904e-03 9.689e-03 /

5850.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.2	-3.6	+0.7	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-3.9	+0.6	+2.7

Chebyshev(coeffs=[[-10.5331,-0.515201,-0.301965,-0.120425],[19.3967,0.218789,0.126153,0.0480017],[-0.087341,0.151477,0.0817643,0.026045],[-0.0332775,0.0752873,0.0396217,0.0118843],[-0.046939,-0.00598218,-0.00108241,0.00183896],[-0.0388547,-0.0212272,-0.00921574,-0.000841498]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.83
S298 (cal/mol*K) = 52.04
G298 (kcal/mol) = 46.32

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(756); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C3H5(98)+C4H6(756)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.053e+01 -5.152e-01 -3.020e-01 -1.204e-01 / CHEB/ 1.940e+01 2.188e-01 1.262e-01 4.800e-02 / CHEB/ -8.734e-02 1.515e-01 8.176e-02 2.604e-02 / CHEB/ -3.328e-02 7.529e-02 3.962e-02 1.188e-02 / CHEB/ -4.694e-02 -5.982e-03 -1.082e-03 1.839e-03 / CHEB/ -3.885e-02 -2.123e-02 -9.216e-03 -8.415e-04 /

5851.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.3	-11.1	-4.9	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-30.5	-11.3	-5.0	-2.0

Chebyshev(coeffs=[[-22.9806,-0.299757,-0.185605,-0.0832626],[27.1603,0.0975595,0.0592512,0.0254704],[-0.038898,0.1008,0.0592126,0.0235653],[-0.0326954,0.0578496,0.0333941,0.0127647],[-0.0412495,-0.00213768,-0.000253608,0.000820114],[-0.0328866,-0.01634,-0.00834479,-0.00214978]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.90
S298 (cal/mol*K) = 43.40
G298 (kcal/mol) = 72.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(165); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.298e+01 -2.998e-01 -1.856e-01 -8.326e-02 / CHEB/ 2.716e+01 9.756e-02 5.925e-02 2.547e-02 / CHEB/ -3.890e-02 1.008e-01 5.921e-02 2.357e-02 / CHEB/ -3.270e-02 5.785e-02 3.339e-02 1.276e-02 / CHEB/ -4.125e-02 -2.138e-03 -2.536e-04 8.201e-04 / CHEB/ -3.289e-02 -1.634e-02 -8.345e-03 -2.150e-03 /

5852.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.2	-9.6	-3.4	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-29.4	-9.7	-3.5	-0.5

Chebyshev(coeffs=[[-21.9521,-0.27356,-0.170568,-0.0775478],[27.81,0.0872379,0.053063,0.0228392],[-0.220371,0.0928334,0.0552397,0.0226478],[-0.0883238,0.0539612,0.0316355,0.0125388],[-0.0587722,-0.00202732,-0.000246926,0.000781194],[-0.038294,-0.0155003,-0.00811034,-0.002281]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.73
S298 (cal/mol*K) = 55.29
G298 (kcal/mol) = 73.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(757); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(757)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.195e+01 -2.736e-01 -1.706e-01 -7.755e-02 / CHEB/ 2.781e+01 8.724e-02 5.306e-02 2.284e-02 / CHEB/ -2.204e-01 9.283e-02 5.524e-02 2.265e-02 / CHEB/ -8.832e-02 5.396e-02 3.164e-02 1.254e-02 / CHEB/ -5.877e-02 -2.027e-03 -2.469e-04 7.812e-04 / CHEB/ -3.829e-02 -1.550e-02 -8.110e-03 -2.281e-03 /

5853.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.0	-14.0	-6.8	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-36.1	-14.1	-6.8	-3.3

Chebyshev(coeffs=[[-28.3087,-0.236588,-0.149289,-0.0694423],[31.1018,0.0743168,0.045524,0.0198407],[-0.020718,0.0806972,0.0489686,0.0209666],[-0.0330795,0.0477671,0.0286624,0.0119696],[-0.0390931,-0.00199838,-0.000333083,0.000673972],[-0.0301335,-0.0141473,-0.00768726,-0.00244414]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.40
S298 (cal/mol*K) = 41.35
G298 (kcal/mol) = 86.08

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(173); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.831e+01 -2.366e-01 -1.493e-01 -6.944e-02 / CHEB/ 3.110e+01 7.432e-02 4.552e-02 1.984e-02 / CHEB/ -2.072e-02 8.070e-02 4.897e-02 2.097e-02 / CHEB/ -3.308e-02 4.777e-02 2.866e-02 1.197e-02 / CHEB/ -3.909e-02 -1.998e-03 -3.331e-04 6.740e-04 / CHEB/ -3.013e-02 -1.415e-02 -7.687e-03 -2.444e-03 /

5854.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.9	-13.4	-6.0	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-36.1	-13.5	-6.1	-2.5

Chebyshev(coeffs=[[-28.2021,-0.227416,-0.143994,-0.0674198],[31.819,0.0713027,0.043813,0.0192127],[-0.0062635,0.0775656,0.047308,0.0204779],[-0.0296242,0.0461304,0.0278457,0.0117809],[-0.0376103,-0.00200763,-0.000372132,0.000632468],[-0.0292835,-0.0137796,-0.00756234,-0.00247763]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 100.60
S298 (cal/mol*K) = 40.93
G298 (kcal/mol) = 88.41

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(178); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.820e+01 -2.274e-01 -1.440e-01 -6.742e-02 / CHEB/ 3.182e+01 7.130e-02 4.381e-02 1.921e-02 / CHEB/ -6.263e-03 7.757e-02 4.731e-02 2.048e-02 / CHEB/ -2.962e-02 4.613e-02 2.785e-02 1.178e-02 / CHEB/ -3.761e-02 -2.008e-03 -3.721e-04 6.325e-04 / CHEB/ -2.928e-02 -1.378e-02 -7.562e-03 -2.478e-03 /

5855.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.9	-16.6	-8.9	-5.2
log₁₀(k(10 bar)/[mole,m,s])	-40.1	-16.7	-9.0	-5.2

Chebyshev(coeffs=[[-32.1034,-0.211061,-0.134465,-0.0637046],[32.9304,0.0691269,0.0427319,0.0189729],[0.0450975,0.0720349,0.0443935,0.0196438],[-0.0199136,0.0424898,0.0259695,0.0112873],[-0.0358677,-0.00255129,-0.000748386,0.000439148],[-0.028058,-0.0132573,-0.00742562,-0.00258083]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.80
S298 (cal/mol*K) = 33.65
G298 (kcal/mol) = 93.78

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(758); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(758)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.210e+01 -2.111e-01 -1.345e-01 -6.370e-02 / CHEB/ 3.293e+01 6.913e-02 4.273e-02 1.897e-02 / CHEB/ 4.510e-02 7.203e-02 4.439e-02 1.964e-02 / CHEB/ -1.991e-02 4.249e-02 2.597e-02 1.129e-02 / CHEB/ -3.587e-02 -2.551e-03 -7.484e-04 4.391e-04 / CHEB/ -2.806e-02 -1.326e-02 -7.426e-03 -2.581e-03 /

5883.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+2.4	+3.4	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+0.0	+2.1	+3.3	+4.0

Chebyshev(coeffs=[[7.00761,-0.621407,-0.243384,-0.036584],[2.16069,0.360745,0.10366,-0.00393527],[0.703328,0.177838,0.0727995,0.00316447],[0.173538,0.0633627,0.0351094,0.0088135],[0.00897368,-0.0120387,0.00388231,0.00880641],[-0.015393,-0.0214067,-0.00557336,0.00300626]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.78
S298 (cal/mol*K) = -13.07
G298 (kcal/mol) = -24.89

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(150); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.008e+00 -6.214e-01 -2.434e-01 -3.658e-02 / CHEB/ 2.161e+00 3.607e-01 1.037e-01 -3.935e-03 / CHEB/ 7.033e-01 1.778e-01 7.280e-02 3.164e-03 / CHEB/ 1.735e-01 6.336e-02 3.511e-02 8.813e-03 / CHEB/ 8.974e-03 -1.204e-02 3.882e-03 8.806e-03 / CHEB/ -1.539e-02 -2.141e-02 -5.573e-03 3.006e-03 /

5884.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+2.9	+4.2	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+2.6	+4.1	+4.9

Chebyshev(coeffs=[[7.31828,-0.608098,-0.240532,-0.0375527],[2.56539,0.362235,0.1055,-0.00318525],[0.794815,0.170606,0.0724976,0.004659],[0.183652,0.0592742,0.0341036,0.00936046],[0.00846388,-0.0127817,0.00291138,0.00846788],[-0.0155988,-0.0210553,-0.00599679,0.00257425]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.10
S298 (cal/mol*K) = -9.68
G298 (kcal/mol) = -22.22

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(212); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(212)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.318e+00 -6.081e-01 -2.405e-01 -3.755e-02 / CHEB/ 2.565e+00 3.622e-01 1.055e-01 -3.185e-03 / CHEB/ 7.948e-01 1.706e-01 7.250e-02 4.659e-03 / CHEB/ 1.837e-01 5.927e-02 3.410e-02 9.360e-03 / CHEB/ 8.464e-03 -1.278e-02 2.911e-03 8.468e-03 / CHEB/ -1.560e-02 -2.106e-02 -5.997e-03 2.574e-03 /

5885.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.2	+4.2	+4.7	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+3.8	+4.5	+4.9

Chebyshev(coeffs=[[9.30036,-0.656204,-0.251754,-0.0347197],[1.14048,0.34486,0.0952249,-0.00591946],[0.37165,0.191626,0.0711657,-0.00121498],[0.0842441,0.0763543,0.0370915,0.00646243],[-0.0172081,-0.00685139,0.00685026,0.00907939],[-0.0234566,-0.0207267,-0.00368769,0.00411874]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.19
S298 (cal/mol*K) = -29.81
G298 (kcal/mol) = -63.31

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(968); H(25), C7H11(968); C7H10(18)+H(25)(+M)=>C7H11(968)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.300e+00 -6.562e-01 -2.518e-01 -3.472e-02 / CHEB/ 1.140e+00 3.449e-01 9.522e-02 -5.919e-03 / CHEB/ 3.717e-01 1.916e-01 7.117e-02 -1.215e-03 / CHEB/ 8.424e-02 7.635e-02 3.709e-02 6.462e-03 / CHEB/ -1.721e-02 -6.851e-03 6.850e-03 9.079e-03 / CHEB/ -2.346e-02 -2.073e-02 -3.688e-03 4.119e-03 /

5886.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+1.2	+2.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+1.0	+2.6	+3.5

Chebyshev(coeffs=[[5.22105,-0.584669,-0.235832,-0.0394781],[3.24468,0.358801,0.107127,-0.00171233],[0.891392,0.157974,0.0713752,0.00691709],[0.183367,0.0543619,0.0324902,0.0099021],[0.00772394,-0.0129874,0.00159371,0.00777365],[-0.0157667,-0.0202764,-0.00640078,0.0019507]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.69
S298 (cal/mol*K) = -31.87
G298 (kcal/mol) = -50.19

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(969); H(25), C7H11(969); C7H10(18)+H(25)(+M)=>C7H11(969)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.221e+00 -5.847e-01 -2.358e-01 -3.948e-02 / CHEB/ 3.245e+00 3.588e-01 1.071e-01 -1.712e-03 / CHEB/ 8.914e-01 1.580e-01 7.138e-02 6.917e-03 / CHEB/ 1.834e-01 5.436e-02 3.249e-02 9.902e-03 / CHEB/ 7.724e-03 -1.299e-02 1.594e-03 7.774e-03 / CHEB/ -1.577e-02 -2.028e-02 -6.401e-03 1.951e-03 /

5887.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+2.7	+3.5	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+2.4	+3.3	+3.8

Chebyshev(coeffs=[[7.59924,-0.641784,-0.248522,-0.0356377],[1.61166,0.350875,0.0983257,-0.00526156],[0.507823,0.18532,0.0716778,0.000545302],[0.118596,0.0707322,0.0362517,0.00742525],[-0.00644547,-0.00894257,0.00563999,0.00896115],[-0.0208516,-0.0208579,-0.0044404,0.00365605]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -62.69
S298 (cal/mol*K) = -29.17
G298 (kcal/mol) = -54.00

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(970); H(25), C7H11(970); C7H10(18)+H(25)(+M)=>C7H11(970)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.599e+00 -6.418e-01 -2.485e-01 -3.564e-02 / CHEB/ 1.612e+00 3.509e-01 9.833e-02 -5.262e-03 / CHEB/ 5.078e-01 1.853e-01 7.168e-02 5.453e-04 / CHEB/ 1.186e-01 7.073e-02 3.625e-02 7.425e-03 / CHEB/ -6.445e-03 -8.943e-03 5.640e-03 8.961e-03 / CHEB/ -2.085e-02 -2.086e-02 -4.440e-03 3.656e-03 /

5888.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+0.7	+1.8	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+0.4	+1.7	+2.4

Chebyshev(coeffs=[[5.15643,-0.613933,-0.242101,-0.0373353],[2.38117,0.359475,0.103894,-0.0036376],[0.73077,0.172673,0.072212,0.00390759],[0.165131,0.0613281,0.0344955,0.00899268],[0.00319716,-0.01186,0.00344776,0.00853422],[-0.0178031,-0.0208591,-0.0056712,0.00276881]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.69
S298 (cal/mol*K) = -31.87
G298 (kcal/mol) = -50.19

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(971); H(25), C7H11(971); C7H10(18)+H(25)(+M)=>C7H11(971)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.156e+00 -6.139e-01 -2.421e-01 -3.734e-02 / CHEB/ 2.381e+00 3.595e-01 1.039e-01 -3.638e-03 / CHEB/ 7.308e-01 1.727e-01 7.221e-02 3.908e-03 / CHEB/ 1.651e-01 6.133e-02 3.450e-02 8.993e-03 / CHEB/ 3.197e-03 -1.186e-02 3.448e-03 8.534e-03 / CHEB/ -1.780e-02 -2.086e-02 -5.671e-03 2.769e-03 /

5889.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-7.7	-4.9	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-7.9	-4.9	-3.4

Chebyshev(coeffs=[[-7.17697,-0.391213,-0.191501,-0.0526061],[8.70592,0.232685,0.0944578,0.0144189],[0.904957,0.116285,0.0627444,0.0155159],[0.217556,0.0410186,0.0246427,0.010095],[0.00635447,-0.0122084,-0.002831,0.00334692],[-0.0166356,-0.016932,-0.00707624,-0.000504521]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -80.49
S298 (cal/mol*K) = -34.05
G298 (kcal/mol) = -70.34

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(289); H(25), C7H11(289); C7H10(18)+H(25)(+M)=>C7H11(289)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.177e+00 -3.912e-01 -1.915e-01 -5.261e-02 / CHEB/ 8.706e+00 2.327e-01 9.446e-02 1.442e-02 / CHEB/ 9.050e-01 1.163e-01 6.274e-02 1.552e-02 / CHEB/ 2.176e-01 4.102e-02 2.464e-02 1.010e-02 / CHEB/ 6.354e-03 -1.221e-02 -2.831e-03 3.347e-03 / CHEB/ -1.664e-02 -1.693e-02 -7.076e-03 -5.045e-04 /

5890.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-2.2	-0.3	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-2.4	-0.3	+0.8

Chebyshev(coeffs=[[0.856836,-0.53254,-0.225225,-0.0436489],[4.74958,0.336069,0.107605,0.0026187],[1.01462,0.139328,0.0691717,0.0104983],[0.180058,0.0487312,0.0297911,0.0103801],[-0.00634622,-0.0129343,-0.000362681,0.00642265],[-0.0195615,-0.019198,-0.00682519,0.000997417]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.73
S298 (cal/mol*K) = -14.75
G298 (kcal/mol) = 5.13

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(148); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.568e-01 -5.325e-01 -2.252e-01 -4.365e-02 / CHEB/ 4.750e+00 3.361e-01 1.076e-01 2.619e-03 / CHEB/ 1.015e+00 1.393e-01 6.917e-02 1.050e-02 / CHEB/ 1.801e-01 4.873e-02 2.979e-02 1.038e-02 / CHEB/ -6.346e-03 -1.293e-02 -3.627e-04 6.423e-03 / CHEB/ -1.956e-02 -1.920e-02 -6.825e-03 9.974e-04 /

5891.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-4.0	-1.1	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-4.1	-1.2	+0.4

Chebyshev(coeffs=[[-3.77378,-0.368475,-0.184987,-0.0535208],[9.21527,0.213405,0.0902691,0.0156854],[0.790726,0.112884,0.0612433,0.0160685],[0.208606,0.0407352,0.024242,0.00991767],[0.0138774,-0.0117212,-0.00293798,0.00287495],[-0.0152208,-0.016557,-0.00705062,-0.0006311]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.91
S298 (cal/mol*K) = -5.56
G298 (kcal/mol) = 24.57

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(149); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.774e+00 -3.685e-01 -1.850e-01 -5.352e-02 / CHEB/ 9.215e+00 2.134e-01 9.027e-02 1.569e-02 / CHEB/ 7.907e-01 1.129e-01 6.124e-02 1.607e-02 / CHEB/ 2.086e-01 4.074e-02 2.424e-02 9.918e-03 / CHEB/ 1.388e-02 -1.172e-02 -2.938e-03 2.875e-03 / CHEB/ -1.522e-02 -1.656e-02 -7.051e-03 -6.311e-04 /

5892.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+0.5	+3.1	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+0.4	+3.1	+4.6

Chebyshev(coeffs=[[2.09343,-0.443649,-0.204698,-0.0495348],[7.20474,0.279877,0.10335,0.0106806],[1.05759,0.122508,0.065564,0.0143405],[0.23645,0.0412003,0.0256141,0.0105049],[0.0198961,-0.013626,-0.00269773,0.00439306],[-0.0113734,-0.0179331,-0.00724668,-0.000217262]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.08
S298 (cal/mol*K) = 5.46
G298 (kcal/mol) = 10.45

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(215); H(25), CH3(423); C7H10(18)+H(25)(+M)=>C6H8(215)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.093e+00 -4.436e-01 -2.047e-01 -4.953e-02 / CHEB/ 7.205e+00 2.799e-01 1.033e-01 1.068e-02 / CHEB/ 1.058e+00 1.225e-01 6.556e-02 1.434e-02 / CHEB/ 2.365e-01 4.120e-02 2.561e-02 1.050e-02 / CHEB/ 1.990e-02 -1.363e-02 -2.698e-03 4.393e-03 / CHEB/ -1.137e-02 -1.793e-02 -7.247e-03 -2.173e-04 /

5893.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-1.2	+1.0	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-1.4	+0.9	+2.2

Chebyshev(coeffs=[[1.32319,-0.498566,-0.217645,-0.0459976],[5.65468,0.317631,0.107177,0.00578388],[1.05354,0.131945,0.0680149,0.0122518],[0.211155,0.0450773,0.0280151,0.0105797],[0.0133662,-0.0135529,-0.00151973,0.00564099],[-0.0132607,-0.0188054,-0.00709462,0.000457981]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.11
S298 (cal/mol*K) = -10.44
G298 (kcal/mol) = 8.22

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(57); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.323e+00 -4.986e-01 -2.176e-01 -4.600e-02 / CHEB/ 5.655e+00 3.176e-01 1.072e-01 5.784e-03 / CHEB/ 1.054e+00 1.319e-01 6.801e-02 1.225e-02 / CHEB/ 2.112e-01 4.508e-02 2.802e-02 1.058e-02 / CHEB/ 1.337e-02 -1.355e-02 -1.520e-03 5.641e-03 / CHEB/ -1.326e-02 -1.881e-02 -7.095e-03 4.580e-04 /

5894.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-4.4	-1.3	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-4.6	-1.4	+0.4

Chebyshev(coeffs=[[-4.77596,-0.346492,-0.178064,-0.054053],[10.1149,0.197096,0.0865967,0.0167679],[0.789955,0.108409,0.0594444,0.0166802],[0.218619,0.0399339,0.0236942,0.00975682],[0.0193506,-0.0112366,-0.00307773,0.00237875],[-0.0135629,-0.016149,-0.00704892,-0.000796685]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.91
S298 (cal/mol*K) = -8.26
G298 (kcal/mol) = 28.37

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(207); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(207)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.776e+00 -3.465e-01 -1.781e-01 -5.405e-02 / CHEB/ 1.011e+01 1.971e-01 8.660e-02 1.677e-02 / CHEB/ 7.900e-01 1.084e-01 5.944e-02 1.668e-02 / CHEB/ 2.186e-01 3.993e-02 2.369e-02 9.757e-03 / CHEB/ 1.935e-02 -1.124e-02 -3.078e-03 2.379e-03 / CHEB/ -1.356e-02 -1.615e-02 -7.049e-03 -7.967e-04 /

5895.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-4.8	-1.7	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-5.0	-1.7	+0.0

Chebyshev(coeffs=[[-5.20632,-0.347297,-0.178325,-0.0540379],[10.1773,0.19769,0.0867378,0.0167317],[0.811201,0.108577,0.059513,0.016659],[0.224507,0.0399644,0.0237141,0.00976307],[0.0212189,-0.0112559,-0.00307339,0.00239671],[-0.0128971,-0.0161645,-0.00704931,-0.000790826]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.91
S298 (cal/mol*K) = -8.26
G298 (kcal/mol) = 28.37

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(209); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(209)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.206e+00 -3.473e-01 -1.783e-01 -5.404e-02 / CHEB/ 1.018e+01 1.977e-01 8.674e-02 1.673e-02 / CHEB/ 8.112e-01 1.086e-01 5.951e-02 1.666e-02 / CHEB/ 2.245e-01 3.996e-02 2.371e-02 9.763e-03 / CHEB/ 2.122e-02 -1.126e-02 -3.073e-03 2.397e-03 / CHEB/ -1.290e-02 -1.616e-02 -7.049e-03 -7.908e-04 /

5896.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+0.4	+1.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+0.1	+1.2	+1.8

Chebyshev(coeffs=[[5.19548,-0.628463,-0.245416,-0.036419],[1.89586,0.355891,0.101225,-0.00450929],[0.609405,0.179563,0.0721072,0.00219056],[0.142508,0.0660256,0.0354704,0.00825039],[-0.00058236,-0.0105361,0.00457074,0.00880218],[-0.0192552,-0.0209397,-0.00508283,0.00323143]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.31
S298 (cal/mol*K) = -37.62
G298 (kcal/mol) = -45.10

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(972); H(25), C7H11(972); C7H10(18)+H(25)(+M)=>C7H11(972)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.195e+00 -6.285e-01 -2.454e-01 -3.642e-02 / CHEB/ 1.896e+00 3.559e-01 1.012e-01 -4.509e-03 / CHEB/ 6.094e-01 1.796e-01 7.211e-02 2.191e-03 / CHEB/ 1.425e-01 6.603e-02 3.547e-02 8.250e-03 / CHEB/ -5.824e-04 -1.054e-02 4.571e-03 8.802e-03 / CHEB/ -1.926e-02 -2.094e-02 -5.083e-03 3.231e-03 /

5897.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-0.4	+2.8	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-0.5	+2.7	+4.5

Chebyshev(coeffs=[[-0.765655,-0.346798,-0.177863,-0.0538391],[10.1694,0.201162,0.0881045,0.0169321],[0.855307,0.107111,0.0591735,0.0168387],[0.229982,0.0388525,0.0232627,0.00978296],[0.0207155,-0.0115867,-0.00329464,0.00230377],[-0.0126692,-0.0161499,-0.0071222,-0.000891246]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.43
S298 (cal/mol*K) = 11.56
G298 (kcal/mol) = 13.99

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H6(490); H(25), C3H5(129); C7H10(18)+H(25)(+M)=>C3H5(129)+C4H6(490)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.657e-01 -3.468e-01 -1.779e-01 -5.384e-02 / CHEB/ 1.017e+01 2.012e-01 8.810e-02 1.693e-02 / CHEB/ 8.553e-01 1.071e-01 5.917e-02 1.684e-02 / CHEB/ 2.300e-01 3.885e-02 2.326e-02 9.783e-03 / CHEB/ 2.072e-02 -1.159e-02 -3.295e-03 2.304e-03 / CHEB/ -1.267e-02 -1.615e-02 -7.122e-03 -8.912e-04 /

5898.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-5.7	-1.4	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-5.8	-1.4	+0.9

Chebyshev(coeffs=[[-10.3046,-0.194248,-0.116653,-0.0489597],[16.5639,0.0908953,0.0511171,0.0183528],[0.459322,0.0695841,0.0418373,0.0172621],[0.165703,0.0319678,0.0192442,0.00813815],[0.0208915,-0.00607568,-0.0026169,-6.49184e-05],[-0.0115359,-0.011936,-0.00621321,-0.00168681]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.83
S298 (cal/mol*K) = 7.96
G298 (kcal/mol) = 39.46

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H6(214); H(25), C3H5(489); C7H10(18)+H(25)(+M)=>C4H6(214)+C3H5(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.030e+01 -1.942e-01 -1.167e-01 -4.896e-02 / CHEB/ 1.656e+01 9.090e-02 5.112e-02 1.835e-02 / CHEB/ 4.593e-01 6.958e-02 4.184e-02 1.726e-02 / CHEB/ 1.657e-01 3.197e-02 1.924e-02 8.138e-03 / CHEB/ 2.089e-02 -6.076e-03 -2.617e-03 -6.492e-05 / CHEB/ -1.154e-02 -1.194e-02 -6.213e-03 -1.687e-03 /

5899.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-5.3	-2.2	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-5.4	-2.2	-0.5

Chebyshev(coeffs=[[-5.68879,-0.344757,-0.177498,-0.0540844],[10.1822,0.195818,0.0862913,0.0168451],[0.788644,0.108044,0.0592951,0.0167258],[0.219006,0.0398685,0.0236514,0.00974323],[0.0196596,-0.0111948,-0.00308689,0.00234003],[-0.0134703,-0.0161154,-0.007048,-0.000809295]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.33
S298 (cal/mol*K) = -7.88
G298 (kcal/mol) = 28.68

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(145); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.689e+00 -3.448e-01 -1.775e-01 -5.408e-02 / CHEB/ 1.018e+01 1.958e-01 8.629e-02 1.685e-02 / CHEB/ 7.886e-01 1.080e-01 5.930e-02 1.673e-02 / CHEB/ 2.190e-01 3.987e-02 2.365e-02 9.743e-03 / CHEB/ 1.966e-02 -1.119e-02 -3.087e-03 2.340e-03 / CHEB/ -1.347e-02 -1.612e-02 -7.048e-03 -8.093e-04 /

5900.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+4.6	+5.3	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+4.3	+5.2	+5.7

Chebyshev(coeffs=[[9.53996,-0.642291,-0.24815,-0.0352804],[1.52841,0.353765,0.0994534,-0.00505896],[0.519285,0.187767,0.0724654,0.000620374],[0.136505,0.0710949,0.0365596,0.00759155],[0.00348726,-0.00959003,0.00564538,0.00913488],[-0.0166373,-0.0214714,-0.00459005,0.00371759]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -37.87
S298 (cal/mol*K) = -11.50
G298 (kcal/mol) = -34.45

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(153); H(25), H(25); C7H10(18)+H(25)(+M)=>C7H10(153)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.540e+00 -6.423e-01 -2.482e-01 -3.528e-02 / CHEB/ 1.528e+00 3.538e-01 9.945e-02 -5.059e-03 / CHEB/ 5.193e-01 1.878e-01 7.247e-02 6.204e-04 / CHEB/ 1.365e-01 7.109e-02 3.656e-02 7.592e-03 / CHEB/ 3.487e-03 -9.590e-03 5.645e-03 9.135e-03 / CHEB/ -1.664e-02 -2.147e-02 -4.590e-03 3.718e-03 /

5901.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+4.2	+4.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+2.5	+3.9	+4.8	+5.3

Chebyshev(coeffs=[[9.26595,-0.646007,-0.249065,-0.0350975],[1.4178,0.35179,0.0984678,-0.00527226],[0.480653,0.189112,0.0722322,0.000141875],[0.125779,0.0725365,0.0367551,0.00731854],[0.000760895,-0.00895502,0.00597335,0.00914926],[-0.0174739,-0.0213566,-0.00436801,0.00383615]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.17
S298 (cal/mol*K) = -29.88
G298 (kcal/mol) = -58.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(291); H(25), C7H11(291); C7H10(18)+H(25)(+M)=>C7H11(291)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.266e+00 -6.460e-01 -2.491e-01 -3.510e-02 / CHEB/ 1.418e+00 3.518e-01 9.847e-02 -5.272e-03 / CHEB/ 4.807e-01 1.891e-01 7.223e-02 1.419e-04 / CHEB/ 1.258e-01 7.254e-02 3.676e-02 7.319e-03 / CHEB/ 7.609e-04 -8.955e-03 5.973e-03 9.149e-03 / CHEB/ -1.747e-02 -2.136e-02 -4.368e-03 3.836e-03 /

5902.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+2.4	+3.5	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+2.1	+3.4	+4.1

Chebyshev(coeffs=[[6.84198,-0.613317,-0.241952,-0.0373692],[2.4041,0.359655,0.104021,-0.00359624],[0.737104,0.172405,0.0722221,0.00398124],[0.164014,0.0611276,0.0344528,0.00902499],[0.000737196,-0.0119303,0.00339698,0.00852394],[-0.018334,-0.0208642,-0.00569836,0.00274922]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.27
S298 (cal/mol*K) = -31.49
G298 (kcal/mol) = -49.89

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(973); H(25), C7H11(973); C7H10(18)+H(25)(+M)=>C7H11(973)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.842e+00 -6.133e-01 -2.420e-01 -3.737e-02 / CHEB/ 2.404e+00 3.597e-01 1.040e-01 -3.596e-03 / CHEB/ 7.371e-01 1.724e-01 7.222e-02 3.981e-03 / CHEB/ 1.640e-01 6.113e-02 3.445e-02 9.025e-03 / CHEB/ 7.372e-04 -1.193e-02 3.397e-03 8.524e-03 / CHEB/ -1.833e-02 -2.086e-02 -5.698e-03 2.749e-03 /

5903.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.0	+1.9	+2.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+1.6	+2.8	+3.5

Chebyshev(coeffs=[[6.45184,-0.619241,-0.243298,-0.0369899],[2.22852,0.358435,0.102993,-0.00396109],[0.692587,0.175263,0.0722211,0.003293],[0.154791,0.0629728,0.0348625,0.00874327],[-0.00227633,-0.0114381,0.00384763,0.00864378],[-0.0193671,-0.0209112,-0.00547281,0.0029363]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.27
S298 (cal/mol*K) = -31.49
G298 (kcal/mol) = -49.89

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(974); H(25), C7H11(974); C7H10(18)+H(25)(+M)=>C7H11(974)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.452e+00 -6.192e-01 -2.433e-01 -3.699e-02 / CHEB/ 2.229e+00 3.584e-01 1.030e-01 -3.961e-03 / CHEB/ 6.926e-01 1.753e-01 7.222e-02 3.293e-03 / CHEB/ 1.548e-01 6.297e-02 3.486e-02 8.743e-03 / CHEB/ -2.276e-03 -1.144e-02 3.848e-03 8.644e-03 / CHEB/ -1.937e-02 -2.091e-02 -5.473e-03 2.936e-03 /

5904.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.2	+4.3	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+3.2	+3.8	+4.2	+4.3

Chebyshev(coeffs=[[9.61507,-0.677485,-0.256776,-0.0335679],[0.491139,0.331981,0.089504,-0.00685848],[0.1506,0.198314,0.0694038,-0.00387551],[0.0308403,0.0847385,0.0378304,0.00475064],[-0.0223579,-0.0027374,0.00858721,0.00897314],[-0.0241391,-0.0197641,-0.00236023,0.00470919]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -84.87
S298 (cal/mol*K) = -38.36
G298 (kcal/mol) = -73.44

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(975); H(25), C7H11(975); C7H10(18)+H(25)(+M)=>C7H11(975)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.615e+00 -6.775e-01 -2.568e-01 -3.357e-02 / CHEB/ 4.911e-01 3.320e-01 8.950e-02 -6.858e-03 / CHEB/ 1.506e-01 1.983e-01 6.940e-02 -3.876e-03 / CHEB/ 3.084e-02 8.474e-02 3.783e-02 4.751e-03 / CHEB/ -2.236e-02 -2.737e-03 8.587e-03 8.973e-03 / CHEB/ -2.414e-02 -1.976e-02 -2.360e-03 4.709e-03 /

5905.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.6	-5.7	-1.3	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-5.8	-1.4	+0.9

Chebyshev(coeffs=[[-10.3822,-0.192573,-0.115839,-0.0487853],[16.6852,0.0897998,0.0506345,0.018294],[0.461181,0.0690879,0.0415844,0.01721],[0.166488,0.0318427,0.0191798,0.0081187],[0.0213644,-0.00600545,-0.00259501,-7.55679e-05],[-0.0113098,-0.0118705,-0.00619227,-0.00169386]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.25
S298 (cal/mol*K) = 8.34
G298 (kcal/mol) = 39.77

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(133); H(25), C2H4(495); C7H10(18)+H(25)(+M)=>C5H7(133)+C2H4(495)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.038e+01 -1.926e-01 -1.158e-01 -4.879e-02 / CHEB/ 1.669e+01 8.980e-02 5.063e-02 1.829e-02 / CHEB/ 4.612e-01 6.909e-02 4.158e-02 1.721e-02 / CHEB/ 1.665e-01 3.184e-02 1.918e-02 8.119e-03 / CHEB/ 2.136e-02 -6.005e-03 -2.595e-03 -7.557e-05 / CHEB/ -1.131e-02 -1.187e-02 -6.192e-03 -1.694e-03 /

5906.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+2.3	+3.5	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+1.6	+3.2	+4.0

Chebyshev(coeffs=[[3.70945,-2.72829,-0.690307,-0.0554313],[6.23272,2.3193,0.347823,-0.0560286],[0.0545479,0.203636,0.141272,0.0146215],[-0.0655209,-0.0480261,0.037313,0.0116977],[0.00769354,-0.00676937,0.0057095,0.0116711],[0.00644047,0.0119431,0.00266381,0.00409153]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.19
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = 10.26

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(760); H(25), C7H11(760); C7H10(1)+H(25)(+M)=>C7H11(760)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.709e+00 -2.728e+00 -6.903e-01 -5.543e-02 / CHEB/ 6.233e+00 2.319e+00 3.478e-01 -5.603e-02 / CHEB/ 5.455e-02 2.036e-01 1.413e-01 1.462e-02 / CHEB/ -6.552e-02 -4.803e-02 3.731e-02 1.170e-02 / CHEB/ 7.694e-03 -6.769e-03 5.710e-03 1.167e-02 / CHEB/ 6.440e-03 1.194e-02 2.664e-03 4.092e-03 /

5907.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-0.9	+1.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-1.3	+1.4	+2.9

Chebyshev(coeffs=[[-2.02641,-1.5287,-0.628302,-0.121185],[10.5493,1.24757,0.405484,0.0208409],[0.247905,0.118069,0.101977,0.0287445],[0.0392374,-0.00674267,0.0106381,0.0135097],[0.0156037,0.00702544,0.00161884,0.00404983],[0.00171875,0.00652743,0.00471538,0.00204401]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.25
S298 (cal/mol*K) = 30.40
G298 (kcal/mol) = 16.19

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(511); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(511)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.026e+00 -1.529e+00 -6.283e-01 -1.212e-01 / CHEB/ 1.055e+01 1.248e+00 4.055e-01 2.084e-02 / CHEB/ 2.479e-01 1.181e-01 1.020e-01 2.874e-02 / CHEB/ 3.924e-02 -6.743e-03 1.064e-02 1.351e-02 / CHEB/ 1.560e-02 7.025e-03 1.619e-03 4.050e-03 / CHEB/ 1.719e-03 6.527e-03 4.715e-03 2.044e-03 /

5908.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.0	-8.5	-2.6	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-27.1	-8.6	-2.7	+0.1

Chebyshev(coeffs=[[-19.8189,-0.272651,-0.173752,-0.0823168],[26.3503,0.149994,0.0909094,0.0386299],[-0.241657,0.0201718,0.0150584,0.00917817],[-0.0878699,0.0259077,0.0152755,0.0061262],[-0.0430796,0.00923015,0.00618476,0.00319569],[-0.026164,-5.58697e-05,0.000593044,0.000862587]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.83
S298 (cal/mol*K) = 55.18
G298 (kcal/mol) = 68.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(756); H(25), C3H5(489); C7H10(1)+H(25)(+M)=>C4H6(756)+C3H5(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.982e+01 -2.727e-01 -1.738e-01 -8.232e-02 / CHEB/ 2.635e+01 1.500e-01 9.091e-02 3.863e-02 / CHEB/ -2.417e-01 2.017e-02 1.506e-02 9.178e-03 / CHEB/ -8.787e-02 2.591e-02 1.528e-02 6.126e-03 / CHEB/ -4.308e-02 9.230e-03 6.185e-03 3.196e-03 / CHEB/ -2.616e-02 -5.587e-05 5.930e-04 8.626e-04 /

5909.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.6	-8.8	-3.6	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-24.8	-8.9	-3.6	-1.1

Chebyshev(coeffs=[[-17.5011,-0.414387,-0.250411,-0.10654],[22.4623,0.251223,0.139542,0.047854],[0.00209386,0.0337327,0.0268439,0.0171391],[-0.00762842,0.030186,0.0167779,0.00598203],[-0.0121055,0.0122202,0.00749027,0.00322909],[-0.0143422,0.00060369,0.00142046,0.00157092]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.11
S298 (cal/mol*K) = 33.64
G298 (kcal/mol) = 60.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(695); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(695)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.750e+01 -4.144e-01 -2.504e-01 -1.065e-01 / CHEB/ 2.246e+01 2.512e-01 1.395e-01 4.785e-02 / CHEB/ 2.094e-03 3.373e-02 2.684e-02 1.714e-02 / CHEB/ -7.628e-03 3.019e-02 1.678e-02 5.982e-03 / CHEB/ -1.211e-02 1.222e-02 7.490e-03 3.229e-03 / CHEB/ -1.434e-02 6.037e-04 1.420e-03 1.571e-03 /

5910.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.6	-11.3	-4.7	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-31.7	-11.4	-4.8	-1.6

Chebyshev(coeffs=[[-24.0757,-0.242502,-0.156246,-0.0756093],[28.6547,0.129317,0.0798611,0.0353627],[-0.058995,0.0178939,0.0130375,0.00771585],[-0.0368552,0.0245132,0.0146937,0.00611084],[-0.0273862,0.00831998,0.00566566,0.00301508],[-0.0207927,-0.000213655,0.000400948,0.000691973]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 90.52
S298 (cal/mol*K) = 44.21
G298 (kcal/mol) = 77.35

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(577); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(577)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.408e+01 -2.425e-01 -1.562e-01 -7.561e-02 / CHEB/ 2.865e+01 1.293e-01 7.986e-02 3.536e-02 / CHEB/ -5.899e-02 1.789e-02 1.304e-02 7.716e-03 / CHEB/ -3.686e-02 2.451e-02 1.469e-02 6.111e-03 / CHEB/ -2.739e-02 8.320e-03 5.666e-03 3.015e-03 / CHEB/ -2.079e-02 -2.137e-04 4.009e-04 6.920e-04 /

5911.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.9	-9.3	-2.9	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-29.0	-9.4	-3.0	+0.1

Chebyshev(coeffs=[[-21.5293,-0.250384,-0.160865,-0.0774203],[27.8404,0.134687,0.0827718,0.0362661],[-0.149039,0.0184639,0.0135429,0.00808294],[-0.0626172,0.0248991,0.0148592,0.00611998],[-0.0355917,0.00856774,0.00581051,0.00306942],[-0.0236447,-0.000172144,0.00045129,0.000736802]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.57
S298 (cal/mol*K) = 50.46
G298 (kcal/mol) = 73.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(761); H(25), CH3(423); C7H10(1)+H(25)(+M)=>CH3(423)+C6H8(761)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.153e+01 -2.504e-01 -1.609e-01 -7.742e-02 / CHEB/ 2.784e+01 1.347e-01 8.277e-02 3.627e-02 / CHEB/ -1.490e-01 1.846e-02 1.354e-02 8.083e-03 / CHEB/ -6.262e-02 2.490e-02 1.486e-02 6.120e-03 / CHEB/ -3.559e-02 8.568e-03 5.811e-03 3.069e-03 / CHEB/ -2.364e-02 -1.721e-04 4.513e-04 7.368e-04 /

5912.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.0	-13.7	-6.7	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-35.1	-13.8	-6.8	-3.4

Chebyshev(coeffs=[[-27.4093,-0.215085,-0.139942,-0.0689848],[30.1916,0.110905,0.0696505,0.0319558],[-0.060736,0.01601,0.0113896,0.00652629],[-0.0405591,0.0230455,0.0140345,0.00604127],[-0.0297102,0.00740737,0.00511303,0.00278686],[-0.0217196,-0.000358346,0.00022608,0.000535537]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.71
S298 (cal/mol*K) = 40.51
G298 (kcal/mol) = 83.64

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(697); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(697)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.741e+01 -2.151e-01 -1.399e-01 -6.898e-02 / CHEB/ 3.019e+01 1.109e-01 6.965e-02 3.196e-02 / CHEB/ -6.074e-02 1.601e-02 1.139e-02 6.526e-03 / CHEB/ -4.056e-02 2.305e-02 1.403e-02 6.041e-03 / CHEB/ -2.971e-02 7.407e-03 5.113e-03 2.787e-03 / CHEB/ -2.172e-02 -3.583e-04 2.261e-04 5.355e-04 /

5913.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.0	-13.7	-6.7	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-35.1	-13.8	-6.8	-3.4

H298 (kcal/mol) = 95.71
S298 (cal/mol*K) = 40.51
G298 (kcal/mol) = 83.64

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(702); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(702)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.741e+01 -2.151e-01 -1.399e-01 -6.898e-02 / CHEB/ 3.019e+01 1.109e-01 6.965e-02 3.196e-02 / CHEB/ -6.074e-02 1.601e-02 1.139e-02 6.526e-03 / CHEB/ -4.056e-02 2.305e-02 1.403e-02 6.041e-03 / CHEB/ -2.971e-02 7.407e-03 5.113e-03 2.787e-03 / CHEB/ -2.172e-02 -3.583e-04 2.261e-04 5.355e-04 /

5914.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+1.6	+2.5	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+0.7	+2.1	+2.7

Chebyshev(coeffs=[[3.67672,-3.11797,-0.65207,-0.0400326],[5.11366,2.63726,0.276031,-0.0714174],[-0.0404669,0.265632,0.149712,0.0146981],[-0.0982624,-0.0445947,0.0441092,0.00720495],[0.0147804,-0.0201506,0.0134204,0.010829],[0.0141712,0.00714646,0.0033772,0.00603763]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.66
S298 (cal/mol*K) = -3.66
G298 (kcal/mol) = -13.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(762); H(25), C7H11(762); C7H10(1)+H(25)(+M)=>C7H11(762)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.677e+00 -3.118e+00 -6.521e-01 -4.003e-02 / CHEB/ 5.114e+00 2.637e+00 2.760e-01 -7.142e-02 / CHEB/ -4.047e-02 2.656e-01 1.497e-01 1.470e-02 / CHEB/ -9.826e-02 -4.459e-02 4.411e-02 7.205e-03 / CHEB/ 1.478e-02 -2.015e-02 1.342e-02 1.083e-02 / CHEB/ 1.417e-02 7.146e-03 3.377e-03 6.038e-03 /

5915.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.3	-13.0	-6.1	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-13.1	-6.2	-2.9

Chebyshev(coeffs=[[-26.8294,-0.204216,-0.133377,-0.0662192],[30.277,0.1037,0.0655543,0.0304862],[-0.191522,0.0153327,0.0108015,0.00610215],[-0.0802848,0.0224009,0.0137305,0.00599307],[-0.0433388,0.00702539,0.00487365,0.00267944],[-0.0265575,-0.000413836,0.000158304,0.000474176]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.12
S298 (cal/mol*K) = 47.90
G298 (kcal/mol) = 82.85

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(763); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(763)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.683e+01 -2.042e-01 -1.334e-01 -6.622e-02 / CHEB/ 3.028e+01 1.037e-01 6.555e-02 3.049e-02 / CHEB/ -1.915e-01 1.533e-02 1.080e-02 6.102e-03 / CHEB/ -8.028e-02 2.240e-02 1.373e-02 5.993e-03 / CHEB/ -4.334e-02 7.025e-03 4.874e-03 2.679e-03 / CHEB/ -2.656e-02 -4.138e-04 1.583e-04 4.742e-04 /

5916.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	-1.3	+1.1	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-1.9	+0.9	+2.2

Chebyshev(coeffs=[[0.0217389,-2.99564,-0.670892,-0.0136133],[7.04887,2.91024,0.396906,-0.07564],[1.00482,0.189686,0.210931,-0.00280736],[0.199021,-0.232833,-0.0476425,0.00578721],[-0.00264168,-0.11874,-0.0279426,0.029661],[-0.0225517,0.0366917,0.0297049,0.0220299]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.00
S298 (cal/mol*K) = 10.02
G298 (kcal/mol) = -12.98

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(673); H(25), C7H11(673); C7H10(1)+H(25)(+M)=>C7H11(673)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.174e-02 -2.996e+00 -6.709e-01 -1.361e-02 / CHEB/ 7.049e+00 2.910e+00 3.969e-01 -7.564e-02 / CHEB/ 1.005e+00 1.897e-01 2.109e-01 -2.807e-03 / CHEB/ 1.990e-01 -2.328e-01 -4.764e-02 5.787e-03 / CHEB/ -2.642e-03 -1.187e-01 -2.794e-02 2.966e-02 / CHEB/ -2.255e-02 3.669e-02 2.970e-02 2.203e-02 /

5917.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.0	-16.3	-8.9	-5.2
log₁₀(k(10 bar)/[mole,m,s])	-39.1	-16.4	-8.9	-5.2

Chebyshev(coeffs=[[-31.202,-0.187409,-0.123057,-0.0617052],[32.0203,0.0959411,0.0612095,0.0290013],[0.0105687,0.01415,0.00989235,0.00552572],[-0.026816,0.0210077,0.0130035,0.00579512],[-0.0286697,0.00611715,0.00430375,0.00242063],[-0.0217147,-0.000706704,-7.45325e-05,0.000322221]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.11
S298 (cal/mol*K) = 32.82
G298 (kcal/mol) = 91.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(764); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(764)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.120e+01 -1.874e-01 -1.231e-01 -6.171e-02 / CHEB/ 3.202e+01 9.594e-02 6.121e-02 2.900e-02 / CHEB/ 1.057e-02 1.415e-02 9.892e-03 5.526e-03 / CHEB/ -2.682e-02 2.101e-02 1.300e-02 5.795e-03 / CHEB/ -2.867e-02 6.117e-03 4.304e-03 2.421e-03 / CHEB/ -2.171e-02 -7.067e-04 -7.453e-05 3.222e-04 /

5938.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+4.9	+5.2	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+3.2	+4.4	+4.9	+5.2

Chebyshev(coeffs=[[9.80208,-1.25353,-0.377154,-0.0277108],[1.20633,0.824926,0.11646,-0.0413413],[0.11741,0.167727,0.10229,0.00355746],[0.0171782,0.0870186,0.0512817,0.0164036],[0.00290634,0.04958,0.0187948,0.00571284],[-0.0163912,0.00602874,0.00587115,0.00170068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.19
S298 (cal/mol*K) = -31.12
G298 (kcal/mol) = -35.92

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(976); H(25), C7H11(976); C7H10(18)+H(25)(+M)=>C7H11(976)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.802e+00 -1.254e+00 -3.772e-01 -2.771e-02 / CHEB/ 1.206e+00 8.249e-01 1.165e-01 -4.134e-02 / CHEB/ 1.174e-01 1.677e-01 1.023e-01 3.557e-03 / CHEB/ 1.718e-02 8.702e-02 5.128e-02 1.640e-02 / CHEB/ 2.906e-03 4.958e-02 1.879e-02 5.713e-03 / CHEB/ -1.639e-02 6.029e-03 5.871e-03 1.701e-03 /

5939.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.6	+5.1	+5.9	+6.2
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+4.7	+5.7	+6.2

Chebyshev(coeffs=[[9.60241,-1.18645,-0.363973,-0.0291038],[2.08448,0.8541,0.135045,-0.0403113],[0.406735,0.143537,0.103714,0.00903293],[0.0878983,0.0647992,0.0458568,0.019452],[0.0174301,0.0396949,0.0152383,0.00627109],[-0.0119584,0.0032793,0.00449354,0.00171951]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.51
S298 (cal/mol*K) = -5.62
G298 (kcal/mol) = -34.84

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(977); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(977)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.602e+00 -1.186e+00 -3.640e-01 -2.910e-02 / CHEB/ 2.084e+00 8.541e-01 1.350e-01 -4.031e-02 / CHEB/ 4.067e-01 1.435e-01 1.037e-01 9.033e-03 / CHEB/ 8.790e-02 6.480e-02 4.586e-02 1.945e-02 / CHEB/ 1.743e-02 3.969e-02 1.524e-02 6.271e-03 / CHEB/ -1.196e-02 3.279e-03 4.494e-03 1.720e-03 /

5940.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.6	+6.4	+6.8
log₁₀(k(10 bar)/[mole,m,s])	+3.0	+5.2	+6.2	+6.8

Chebyshev(coeffs=[[9.9798,-1.17478,-0.362667,-0.0296243],[2.25734,0.852472,0.136598,-0.040409],[0.434051,0.136134,0.102646,0.00988569],[0.0811064,0.0619034,0.0445524,0.0196374],[0.00993612,0.0397068,0.0149369,0.00608546],[-0.0144877,0.00377749,0.00459879,0.00163899]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.31
S298 (cal/mol*K) = 7.85
G298 (kcal/mol) = -33.65

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H7(439); H(25), C#CC(978); C7H10(18)+H(25)(+M)=>C4H7(439)+C#CC(978)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.980e+00 -1.175e+00 -3.627e-01 -2.962e-02 / CHEB/ 2.257e+00 8.525e-01 1.366e-01 -4.041e-02 / CHEB/ 4.341e-01 1.361e-01 1.026e-01 9.886e-03 / CHEB/ 8.111e-02 6.190e-02 4.455e-02 1.964e-02 / CHEB/ 9.936e-03 3.971e-02 1.494e-02 6.085e-03 / CHEB/ -1.449e-02 3.777e-03 4.599e-03 1.639e-03 /

5941.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+2.8	+4.1	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+2.5	+3.9	+4.7

Chebyshev(coeffs=[[6.27035,-1.02355,-0.342721,-0.0346934],[3.72653,0.817761,0.162593,-0.0367368],[0.599946,0.0736367,0.091621,0.0210087],[0.0649462,0.0404992,0.031227,0.0202281],[-0.000948836,0.0349687,0.0119897,0.00429224],[-0.0169292,0.00317607,0.00447343,0.00149445]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.55
S298 (cal/mol*K) = 7.55
G298 (kcal/mol) = -6.80

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(979); H(25), CH3(423); C7H10(18)+H(25)(+M)=>CH3(423)+C6H8(979)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.270e+00 -1.024e+00 -3.427e-01 -3.469e-02 / CHEB/ 3.727e+00 8.178e-01 1.626e-01 -3.674e-02 / CHEB/ 5.999e-01 7.364e-02 9.162e-02 2.101e-02 / CHEB/ 6.495e-02 4.050e-02 3.123e-02 2.023e-02 / CHEB/ -9.488e-04 3.497e-02 1.199e-02 4.292e-03 / CHEB/ -1.693e-02 3.176e-03 4.473e-03 1.494e-03 /

5942.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.8	+0.9	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-2.0	+0.8	+2.2

Chebyshev(coeffs=[[-2.47881,-0.544561,-0.263209,-0.0642421],[10.2202,0.432033,0.172627,0.0118752],[0.376073,0.029267,0.0374255,0.0249154],[0.0795282,0.030739,0.0177712,0.00897585],[0.00225943,0.0265683,0.0135794,0.00393023],[-0.0152696,0.000965033,0.00274396,0.00249214]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.22
S298 (cal/mol*K) = 13.21
G298 (kcal/mol) = 24.29

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H6(980); H(25), C2H5(419); C7H10(18)+H(25)(+M)=>C2H5(419)+C5H6(980)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.479e+00 -5.446e-01 -2.632e-01 -6.424e-02 / CHEB/ 1.022e+01 4.320e-01 1.726e-01 1.188e-02 / CHEB/ 3.761e-01 2.927e-02 3.743e-02 2.492e-02 / CHEB/ 7.953e-02 3.074e-02 1.777e-02 8.976e-03 / CHEB/ 2.259e-03 2.657e-02 1.358e-02 3.930e-03 / CHEB/ -1.527e-02 9.650e-04 2.744e-03 2.492e-03 /

5943.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-5.8	-2.3	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-6.0	-2.4	-0.4

Chebyshev(coeffs=[[-8.29319,-0.441932,-0.230171,-0.0682649],[13.1733,0.343137,0.154535,0.0240231],[0.517007,0.022418,0.0270136,0.0201343],[0.138245,0.0300474,0.0169023,0.00717444],[0.0247425,0.0243687,0.0134364,0.00457395],[-0.00687906,0.000599017,0.00221471,0.00236211]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.90
S298 (cal/mol*K) = -0.43
G298 (kcal/mol) = 37.03

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(598); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(598)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.293e+00 -4.419e-01 -2.302e-01 -6.826e-02 / CHEB/ 1.317e+01 3.431e-01 1.545e-01 2.402e-02 / CHEB/ 5.170e-01 2.242e-02 2.701e-02 2.013e-02 / CHEB/ 1.382e-01 3.005e-02 1.690e-02 7.174e-03 / CHEB/ 2.474e-02 2.437e-02 1.344e-02 4.574e-03 / CHEB/ -6.879e-03 5.990e-04 2.215e-03 2.362e-03 /

5944.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-3.7	+0.1	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-3.8	+0.0	+1.9

Chebyshev(coeffs=[[-7.36629,-0.33371,-0.187764,-0.067561],[14.9528,0.249241,0.126549,0.0325777],[0.270628,0.0160485,0.0174186,0.0136494],[0.0790598,0.0284547,0.0160361,0.00612401],[0.00855888,0.0214272,0.0127491,0.00518404],[-0.0113876,0.000469911,0.00169666,0.00196948]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.05
S298 (cal/mol*K) = 15.58
G298 (kcal/mol) = 40.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H7(439); H(25), C3H4(981); C7H10(18)+H(25)(+M)=>C4H7(439)+C3H4(981)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.366e+00 -3.337e-01 -1.878e-01 -6.756e-02 / CHEB/ 1.495e+01 2.492e-01 1.265e-01 3.258e-02 / CHEB/ 2.706e-01 1.605e-02 1.742e-02 1.365e-02 / CHEB/ 7.906e-02 2.845e-02 1.604e-02 6.124e-03 / CHEB/ 8.559e-03 2.143e-02 1.275e-02 5.184e-03 / CHEB/ -1.139e-02 4.699e-04 1.697e-03 1.969e-03 /

5945.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-3.2	-0.1	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-3.4	-0.2	+1.6

Chebyshev(coeffs=[[-4.28611,-0.557142,-0.266795,-0.0635456],[11.0463,0.442918,0.174294,0.0102556],[0.616467,0.0301287,0.0387744,0.025382],[0.147917,0.0307954,0.017892,0.00923863],[0.0245675,0.0268113,0.0135719,0.00385984],[-0.00743334,0.00102062,0.00280935,0.00249267]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.70
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = 28.16

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(596); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(596)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.286e+00 -5.571e-01 -2.668e-01 -6.355e-02 / CHEB/ 1.105e+01 4.429e-01 1.743e-01 1.026e-02 / CHEB/ 6.165e-01 3.013e-02 3.877e-02 2.538e-02 / CHEB/ 1.479e-01 3.080e-02 1.789e-02 9.239e-03 / CHEB/ 2.457e-02 2.681e-02 1.357e-02 3.860e-03 / CHEB/ -7.433e-03 1.021e-03 2.809e-03 2.493e-03 /

5946.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-1.5	+1.0	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-1.7	+0.9	+2.3

Chebyshev(coeffs=[[-0.951957,-0.696812,-0.300097,-0.054252],[8.48683,0.563446,0.184995,-0.00794735],[0.639733,0.0395062,0.0545179,0.0286594],[0.124843,0.0314645,0.0196674,0.0125263],[0.0143569,0.0293207,0.0132059,0.00330909],[-0.0109369,0.00170179,0.00351908,0.00233052]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.88
S298 (cal/mol*K) = 3.74
G298 (kcal/mol) = 17.77

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(982); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(982)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.520e-01 -6.968e-01 -3.001e-01 -5.425e-02 / CHEB/ 8.487e+00 5.634e-01 1.850e-01 -7.947e-03 / CHEB/ 6.397e-01 3.951e-02 5.452e-02 2.866e-02 / CHEB/ 1.248e-01 3.146e-02 1.967e-02 1.253e-02 / CHEB/ 1.436e-02 2.932e-02 1.321e-02 3.309e-03 / CHEB/ -1.094e-02 1.702e-03 3.519e-03 2.331e-03 /

5947.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.9	+4.3	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+3.4	+4.1	+4.4

Chebyshev(coeffs=[[8.65098,-1.2297,-0.372629,-0.02828],[1.51246,0.835729,0.122896,-0.0411402],[0.217722,0.159105,0.102882,0.00543655],[0.04501,0.0789852,0.0495032,0.0175367],[0.0113761,0.0461595,0.0176373,0.00596593],[-0.0143935,0.00515599,0.00543304,0.00173688]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -84.55
S298 (cal/mol*K) = -41.81
G298 (kcal/mol) = -72.09

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(983); H(25), C7H11(983); C7H10(18)+H(25)(+M)=>C7H11(983)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.651e+00 -1.230e+00 -3.726e-01 -2.828e-02 / CHEB/ 1.512e+00 8.357e-01 1.229e-01 -4.114e-02 / CHEB/ 2.177e-01 1.591e-01 1.029e-01 5.437e-03 / CHEB/ 4.501e-02 7.899e-02 4.950e-02 1.754e-02 / CHEB/ 1.138e-02 4.616e-02 1.764e-02 5.966e-03 / CHEB/ -1.439e-02 5.156e-03 5.433e-03 1.737e-03 /

5948.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-4.6	-1.4	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-4.7	-1.4	+0.3

Chebyshev(coeffs=[[-6.58905,-0.451347,-0.233487,-0.0680482],[12.3612,0.351297,0.156531,0.0230236],[0.387787,0.0230266,0.0279216,0.0206395],[0.0988041,0.0301338,0.0169762,0.00731044],[0.0113857,0.024591,0.0134669,0.00451266],[-0.0116497,0.000624478,0.00226258,0.00238402]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.20
S298 (cal/mol*K) = 5.74
G298 (kcal/mol) = 33.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(984); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(984)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.589e+00 -4.513e-01 -2.335e-01 -6.805e-02 / CHEB/ 1.236e+01 3.513e-01 1.565e-01 2.302e-02 / CHEB/ 3.878e-01 2.303e-02 2.792e-02 2.064e-02 / CHEB/ 9.880e-02 3.013e-02 1.698e-02 7.310e-03 / CHEB/ 1.139e-02 2.459e-02 1.347e-02 4.513e-03 / CHEB/ -1.165e-02 6.245e-04 2.263e-03 2.384e-03 /

5949.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.0	-7.0	-2.5	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-7.1	-2.5	-0.1

Chebyshev(coeffs=[[-12.8275,-0.238239,-0.143349,-0.0602039],[18.2968,0.166541,0.0937282,0.0331372],[0.296537,0.011596,0.0105709,0.00775856],[0.0937396,0.0257805,0.0150255,0.00592297],[0.0165608,0.018096,0.011449,0.00532114],[-0.00657813,0.00069391,0.00136906,0.00148527]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.19
S298 (cal/mol*K) = 8.11
G298 (kcal/mol) = 44.78

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(985); H(25), CH3(423); C7H10(18)+H(25)(+M)=>CH3(423)+C6H8(985)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.283e+01 -2.382e-01 -1.433e-01 -6.020e-02 / CHEB/ 1.830e+01 1.665e-01 9.373e-02 3.314e-02 / CHEB/ 2.965e-01 1.160e-02 1.057e-02 7.759e-03 / CHEB/ 9.374e-02 2.578e-02 1.503e-02 5.923e-03 / CHEB/ 1.656e-02 1.810e-02 1.145e-02 5.321e-03 / CHEB/ -6.578e-03 6.939e-04 1.369e-03 1.485e-03 /

5950.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+0.4	+1.5	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-0.5	+1.0	+1.7

Chebyshev(coeffs=[[1.95924,-3.10867,-0.645391,-0.00515155],[5.79369,2.51871,0.160292,-0.123302],[0.0730978,0.164184,0.210002,0.0259385],[-0.126268,-0.0612579,0.0424976,0.0261485],[-0.0137574,0.0420508,-0.000265689,0.00071185],[0.00491805,0.0560289,0.00975914,-0.00266536]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.39
S298 (cal/mol*K) = 4.22
G298 (kcal/mol) = -32.64

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(550); H(25), C7H11(550); C7H10(1)+H(25)(+M)=>C7H11(550)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.959e+00 -3.109e+00 -6.454e-01 -5.152e-03 / CHEB/ 5.794e+00 2.519e+00 1.603e-01 -1.233e-01 / CHEB/ 7.310e-02 1.642e-01 2.100e-01 2.594e-02 / CHEB/ -1.263e-01 -6.126e-02 4.250e-02 2.615e-02 / CHEB/ -1.376e-02 4.205e-02 -2.657e-04 7.119e-04 / CHEB/ 4.918e-03 5.603e-02 9.759e-03 -2.665e-03 /

5951.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+1.0	+3.1	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-6.5	+0.2	+2.8	+4.1

Chebyshev(coeffs=[[1.07621,-2.35352,-0.869998,-0.097157],[8.43776,1.81864,0.503036,-0.0412631],[0.437058,0.306923,0.206139,0.0540472],[0.095715,0.101288,0.0579767,0.0195819],[0.0108664,0.00684924,0.00820211,0.00802472],[-0.0157958,-0.0303555,-0.00642738,0.0042116]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.83
S298 (cal/mol*K) = 49.42
G298 (kcal/mol) = 0.11

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H5(99); H(25), C3H6(551); C7H10(1)+H(25)(+M)=>C4H5(99)+C3H6(551)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.076e+00 -2.354e+00 -8.700e-01 -9.716e-02 / CHEB/ 8.438e+00 1.819e+00 5.030e-01 -4.126e-02 / CHEB/ 4.371e-01 3.069e-01 2.061e-01 5.405e-02 / CHEB/ 9.572e-02 1.013e-01 5.798e-02 1.958e-02 / CHEB/ 1.087e-02 6.849e-03 8.202e-03 8.025e-03 / CHEB/ -1.580e-02 -3.036e-02 -6.427e-03 4.212e-03 /

5952.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.6	-7.8	-1.9	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-26.1	-8.1	-2.0	+0.9

Chebyshev(coeffs=[[-18.5352,-0.584901,-0.334425,-0.126864],[25.4494,0.325858,0.177139,0.0587376],[0.0243588,0.160706,0.0894823,0.0315695],[0.0272475,0.0862891,0.0479763,0.0169305],[-0.0111037,-0.0122019,-0.00249248,0.0029083],[-0.0222493,-0.0318244,-0.0150291,-0.00286891]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.20
S298 (cal/mol*K) = 59.41
G298 (kcal/mol) = 62.49

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H5(99); H(25), C3H6(552); C7H10(1)+H(25)(+M)=>C4H5(99)+C3H6(552)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.854e+01 -5.849e-01 -3.344e-01 -1.269e-01 / CHEB/ 2.545e+01 3.259e-01 1.771e-01 5.874e-02 / CHEB/ 2.436e-02 1.607e-01 8.948e-02 3.157e-02 / CHEB/ 2.725e-02 8.629e-02 4.798e-02 1.693e-02 / CHEB/ -1.110e-02 -1.220e-02 -2.492e-03 2.908e-03 / CHEB/ -2.225e-02 -3.182e-02 -1.503e-02 -2.869e-03 /

5953.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.0	-10.6	-3.6	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-32.3	-10.7	-3.6	-0.1

Chebyshev(coeffs=[[-24.5754,-0.381944,-0.233523,-0.10206],[30.5247,0.196536,0.116424,0.0473706],[-0.0429591,0.110921,0.0662324,0.0274115],[-0.0101024,0.0634559,0.0374632,0.0151536],[-0.0233224,-0.00888302,-0.00323112,0.000577502],[-0.02395,-0.0227721,-0.0120908,-0.00360924]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.03
S298 (cal/mol*K) = 62.40
G298 (kcal/mol) = 78.43

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(553); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(553)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.458e+01 -3.819e-01 -2.335e-01 -1.021e-01 / CHEB/ 3.052e+01 1.965e-01 1.164e-01 4.737e-02 / CHEB/ -4.296e-02 1.109e-01 6.623e-02 2.741e-02 / CHEB/ -1.010e-02 6.346e-02 3.746e-02 1.515e-02 / CHEB/ -2.332e-02 -8.883e-03 -3.231e-03 5.775e-04 / CHEB/ -2.395e-02 -2.277e-02 -1.209e-02 -3.609e-03 /

5954.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-9.9	-3.7	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-28.5	-10.1	-3.8	-0.7

Chebyshev(coeffs=[[-20.8059,-0.593642,-0.338497,-0.127641],[25.9151,0.331514,0.179572,0.0590037],[0.170598,0.16275,0.0903837,0.0316878],[0.070876,0.087203,0.0483734,0.0169765],[0.00332321,-0.0122836,-0.00241869,0.00301851],[-0.0172556,-0.0321655,-0.0151175,-0.00281981]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.67
S298 (cal/mol*K) = 45.28
G298 (kcal/mol) = 66.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(118); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.081e+01 -5.936e-01 -3.385e-01 -1.276e-01 / CHEB/ 2.592e+01 3.315e-01 1.796e-01 5.900e-02 / CHEB/ 1.706e-01 1.627e-01 9.038e-02 3.169e-02 / CHEB/ 7.088e-02 8.720e-02 4.837e-02 1.698e-02 / CHEB/ 3.323e-03 -1.228e-02 -2.419e-03 3.019e-03 / CHEB/ -1.726e-02 -3.217e-02 -1.512e-02 -2.820e-03 /

5955.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.7	-12.2	-5.3	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-33.0	-12.4	-5.4	-1.9

Chebyshev(coeffs=[[-25.2027,-0.459251,-0.273517,-0.113246],[29.1403,0.245289,0.140555,0.0530213],[0.153002,0.130368,0.0756467,0.0293783],[0.0552372,0.0725469,0.0417917,0.0160122],[-0.00172301,-0.0104624,-0.00318945,0.00138514],[-0.017482,-0.0264639,-0.0134165,-0.00342998]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.07
S298 (cal/mol*K) = 45.96
G298 (kcal/mol) = 77.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(120); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.520e+01 -4.593e-01 -2.735e-01 -1.132e-01 / CHEB/ 2.914e+01 2.453e-01 1.406e-01 5.302e-02 / CHEB/ 1.530e-01 1.304e-01 7.565e-02 2.938e-02 / CHEB/ 5.524e-02 7.255e-02 4.179e-02 1.601e-02 / CHEB/ -1.723e-03 -1.046e-02 -3.189e-03 1.385e-03 / CHEB/ -1.748e-02 -2.646e-02 -1.342e-02 -3.430e-03 /

5956.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	+0.2	+2.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-0.7	+1.6	+2.7

Chebyshev(coeffs=[[0.909505,-2.65004,-0.872605,-0.0707659],[7.35102,2.07864,0.454093,-0.0760208],[0.368225,0.315935,0.234737,0.0512189],[0.0609803,0.0919923,0.0636003,0.0236557],[0.000360739,0.00918599,0.00645792,0.00884019],[-0.0181532,-0.0258248,-0.00601001,0.00378917]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.59
S298 (cal/mol*K) = 9.44
G298 (kcal/mol) = -15.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(554); H(25), C7H11(554); C7H10(1)+H(25)(+M)=>C7H11(554)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.095e-01 -2.650e+00 -8.726e-01 -7.077e-02 / CHEB/ 7.351e+00 2.079e+00 4.541e-01 -7.602e-02 / CHEB/ 3.682e-01 3.159e-01 2.347e-01 5.122e-02 / CHEB/ 6.098e-02 9.199e-02 6.360e-02 2.366e-02 / CHEB/ 3.607e-04 9.186e-03 6.458e-03 8.840e-03 / CHEB/ -1.815e-02 -2.582e-02 -6.010e-03 3.789e-03 /

5957.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-6.3	-1.2	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-21.9	-6.6	-1.3	+1.3

Chebyshev(coeffs=[[-14.4454,-0.818986,-0.438088,-0.142864],[21.4878,0.478954,0.238609,0.0623842],[0.186102,0.212214,0.111298,0.0336984],[0.0852465,0.10912,0.0573071,0.0174162],[0.00695175,-0.0125879,0.000411957,0.00583639],[-0.0179237,-0.0393971,-0.0163784,-0.0011856]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.81
S298 (cal/mol*K) = 50.70
G298 (kcal/mol) = 42.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(210); H(25), C2H4(495); C7H10(1)+H(25)(+M)=>C5H7(210)+C2H4(495)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.445e+01 -8.190e-01 -4.381e-01 -1.429e-01 / CHEB/ 2.149e+01 4.790e-01 2.386e-01 6.238e-02 / CHEB/ 1.861e-01 2.122e-01 1.113e-01 3.370e-02 / CHEB/ 8.525e-02 1.091e-01 5.731e-02 1.742e-02 / CHEB/ 6.952e-03 -1.259e-02 4.120e-04 5.836e-03 / CHEB/ -1.792e-02 -3.940e-02 -1.638e-02 -1.186e-03 /

5958.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.2	-11.1	-4.3	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-31.5	-11.3	-4.4	-1.0

Chebyshev(coeffs=[[-23.7135,-0.48047,-0.284138,-0.115906],[28.5309,0.25879,0.146956,0.0542647],[0.143916,0.135609,0.0781042,0.0298235],[0.0544427,0.0749523,0.042904,0.0162042],[-0.0019905,-0.0108292,-0.00312296,0.00162954],[-0.0178523,-0.027427,-0.0137349,-0.00335625]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.44
S298 (cal/mol*K) = 51.16
G298 (kcal/mol) = 65.20

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(557); H(25), CH3(423); C7H10(1)+H(25)(+M)=>C6H8(557)+CH3(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.371e+01 -4.805e-01 -2.841e-01 -1.159e-01 / CHEB/ 2.853e+01 2.588e-01 1.470e-01 5.426e-02 / CHEB/ 1.439e-01 1.356e-01 7.810e-02 2.982e-02 / CHEB/ 5.444e-02 7.495e-02 4.290e-02 1.620e-02 / CHEB/ -1.991e-03 -1.083e-02 -3.123e-03 1.630e-03 / CHEB/ -1.785e-02 -2.743e-02 -1.373e-02 -3.356e-03 /

5959.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.9	-14.8	-7.7	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-36.2	-15.0	-7.8	-4.1

Chebyshev(coeffs=[[-28.2627,-0.433965,-0.260421,-0.109543],[29.8291,0.236913,0.136951,0.0527322],[0.228138,0.122277,0.0718684,0.0287308],[0.0723967,0.0673734,0.0392603,0.0154465],[0.00226592,-0.0111405,-0.00387765,0.000886229],[-0.0160145,-0.0253454,-0.0131229,-0.00361516]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 92.72
S298 (cal/mol*K) = 39.44
G298 (kcal/mol) = 80.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(558); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(558)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.826e+01 -4.340e-01 -2.604e-01 -1.095e-01 / CHEB/ 2.983e+01 2.369e-01 1.370e-01 5.273e-02 / CHEB/ 2.281e-01 1.223e-01 7.187e-02 2.873e-02 / CHEB/ 7.240e-02 6.737e-02 3.926e-02 1.545e-02 / CHEB/ 2.266e-03 -1.114e-02 -3.878e-03 8.862e-04 / CHEB/ -1.601e-02 -2.535e-02 -1.312e-02 -3.615e-03 /

5961.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+3.4	+5.4	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+2.9	+5.1	+6.2

Chebyshev(coeffs=[[4.2742,-0.597363,-0.124688,-0.0704393],[7.60863,0.0786229,-0.0443234,0.0287834],[0.326844,0.158638,-0.0201849,0.000743334],[0.0134572,0.145432,0.0328284,-0.0106656],[-0.0364267,0.0503894,0.0337451,-0.00698607],[-0.0215926,-0.0103574,0.0118753,0.00151199]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.12
S298 (cal/mol*K) = -22.59
G298 (kcal/mol) = -42.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(264); H(25), C7H10(264); C7H9(5)+H(25)(+M)=>C7H10(264)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.274e+00 -5.974e-01 -1.247e-01 -7.044e-02 / CHEB/ 7.609e+00 7.862e-02 -4.432e-02 2.878e-02 / CHEB/ 3.268e-01 1.586e-01 -2.018e-02 7.433e-04 / CHEB/ 1.346e-02 1.454e-01 3.283e-02 -1.067e-02 / CHEB/ -3.643e-02 5.039e-02 3.375e-02 -6.986e-03 / CHEB/ -2.159e-02 -1.036e-02 1.188e-02 1.512e-03 /

5980.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-3.2	-0.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-3.8	-0.7	+1.1

Chebyshev(coeffs=[[-4.12365,-1.84699,-0.706329,-0.0926336],[10.3965,1.60477,0.486713,-0.0185378],[0.597238,0.0451125,0.0997825,0.0556228],[0.0994381,-0.0107667,0.00125106,0.0082205],[0.056984,0.0560233,0.0137907,-0.00451719],[0.0373376,0.0346239,0.0169224,0.00243898]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.87
S298 (cal/mol*K) = 9.98
G298 (kcal/mol) = 13.90

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(986); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(986)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.124e+00 -1.847e+00 -7.063e-01 -9.263e-02 / CHEB/ 1.040e+01 1.605e+00 4.867e-01 -1.854e-02 / CHEB/ 5.972e-01 4.511e-02 9.978e-02 5.562e-02 / CHEB/ 9.944e-02 -1.077e-02 1.251e-03 8.220e-03 / CHEB/ 5.698e-02 5.602e-02 1.379e-02 -4.517e-03 / CHEB/ 3.734e-02 3.462e-02 1.692e-02 2.439e-03 /

5981.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-3.5	-1.0	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-3.9	-1.2	+0.1

Chebyshev(coeffs=[[-6.13761,-1.06881,-0.548192,-0.166223],[12.5367,0.696739,0.334807,0.0835758],[-0.240548,0.0801065,0.0510642,0.0240754],[-0.10192,0.0558596,0.0183753,-0.00217736],[-0.0229734,0.0586954,0.0246485,0.000909274],[0.000573879,0.0260133,0.0157007,0.00536219]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.11
S298 (cal/mol*K) = 37.91
G298 (kcal/mol) = 26.82

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(987); H(25), CH3(423); C7H10(1)+H(25)(+M)=>CH3(423)+C6H8(987)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.138e+00 -1.069e+00 -5.482e-01 -1.662e-01 / CHEB/ 1.254e+01 6.967e-01 3.348e-01 8.358e-02 / CHEB/ -2.405e-01 8.011e-02 5.106e-02 2.408e-02 / CHEB/ -1.019e-01 5.586e-02 1.838e-02 -2.177e-03 / CHEB/ -2.297e-02 5.870e-02 2.465e-02 9.093e-04 / CHEB/ 5.739e-04 2.601e-02 1.570e-02 5.362e-03 /

5982.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.7	-7.9	-4.5	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-19.2	-8.3	-4.7	-2.9

Chebyshev(coeffs=[[-12.278,-0.83764,-0.443929,-0.149585],[15.4273,0.516094,0.257463,0.0764642],[-0.0367176,0.0596752,0.0365017,0.0166552],[-0.025993,0.064117,0.0240492,-0.000973916],[0.00383229,0.0546077,0.0266094,0.00427663],[0.00967513,0.0188507,0.0130964,0.00599758]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.20
S298 (cal/mol*K) = 26.04
G298 (kcal/mol) = 38.44

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(772); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(772)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.228e+01 -8.376e-01 -4.439e-01 -1.496e-01 / CHEB/ 1.543e+01 5.161e-01 2.575e-01 7.646e-02 / CHEB/ -3.672e-02 5.968e-02 3.650e-02 1.666e-02 / CHEB/ -2.599e-02 6.412e-02 2.405e-02 -9.739e-04 / CHEB/ 3.832e-03 5.461e-02 2.661e-02 4.277e-03 / CHEB/ 9.675e-03 1.885e-02 1.310e-02 5.998e-03 /

5983.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.6	-7.6	-3.6	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-7.9	-3.8	-1.6

Chebyshev(coeffs=[[-12.9571,-0.725716,-0.383635,-0.129948],[17.1537,0.448329,0.219722,0.0636104],[0.0876756,0.0474837,0.0278435,0.0118661],[0.024563,0.0636281,0.026015,0.000976058],[0.0252361,0.0488869,0.0265225,0.00665359],[0.0163571,0.0134745,0.0108839,0.00607563]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.80
S298 (cal/mol*K) = 25.89
G298 (kcal/mol) = 43.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(774); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(774)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.296e+01 -7.257e-01 -3.836e-01 -1.299e-01 / CHEB/ 1.715e+01 4.483e-01 2.197e-01 6.361e-02 / CHEB/ 8.768e-02 4.748e-02 2.784e-02 1.187e-02 / CHEB/ 2.456e-02 6.363e-02 2.602e-02 9.761e-04 / CHEB/ 2.524e-02 4.889e-02 2.652e-02 6.654e-03 / CHEB/ 1.636e-02 1.347e-02 1.088e-02 6.076e-03 /

5984.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-10.0	-5.5	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-10.3	-5.7	-3.3

Chebyshev(coeffs=[[-16.7654,-0.6174,-0.318264,-0.0997554],[19.3279,0.37823,0.174261,0.0389073],[0.0662782,0.0364179,0.017802,0.00528524],[0.021325,0.0598048,0.0276938,0.00456848],[0.0165117,0.0412275,0.025921,0.00970545],[0.0118314,0.00892273,0.00867688,0.0057357]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.70
S298 (cal/mol*K) = 23.99
G298 (kcal/mol) = 51.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(778); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(778)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.677e+01 -6.174e-01 -3.183e-01 -9.976e-02 / CHEB/ 1.933e+01 3.782e-01 1.743e-01 3.891e-02 / CHEB/ 6.628e-02 3.642e-02 1.780e-02 5.285e-03 / CHEB/ 2.132e-02 5.980e-02 2.769e-02 4.568e-03 / CHEB/ 1.651e-02 4.123e-02 2.592e-02 9.705e-03 / CHEB/ 1.183e-02 8.923e-03 8.677e-03 5.736e-03 /

5985.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.4	-10.7	-6.2	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-24.8	-11.0	-6.3	-3.9

Chebyshev(coeffs=[[-17.4878,-0.61864,-0.319033,-0.100163],[19.3846,0.378852,0.174687,0.0392075],[0.0860976,0.0364839,0.0179121,0.00538004],[0.0268659,0.0599218,0.0277016,0.00452099],[0.0184153,0.0413798,0.0259525,0.00966572],[0.0125497,0.00899488,0.00871192,0.00574194]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.70
S298 (cal/mol*K) = 22.61
G298 (kcal/mol) = 51.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(779); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(779)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.749e+01 -6.186e-01 -3.190e-01 -1.002e-01 / CHEB/ 1.938e+01 3.789e-01 1.747e-01 3.921e-02 / CHEB/ 8.610e-02 3.648e-02 1.791e-02 5.380e-03 / CHEB/ 2.687e-02 5.992e-02 2.770e-02 4.521e-03 / CHEB/ 1.842e-02 4.138e-02 2.595e-02 9.666e-03 / CHEB/ 1.255e-02 8.995e-03 8.712e-03 5.742e-03 /

5986.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-1.9	-0.8	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-8.1	-2.8	-1.4	-0.7

Chebyshev(coeffs=[[-0.43808,-3.06482,-0.661214,-0.00420265],[5.86082,2.4635,0.181255,-0.126454],[0.0631739,0.16437,0.202978,0.0283413],[-0.153876,-0.0573977,0.0405923,0.025787],[-0.0466873,0.0448601,0.000357272,8.71226e-05],[-0.00536506,0.0561339,0.0103334,-0.00276882]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.23
S298 (cal/mol*K) = 0.61
G298 (kcal/mol) = -12.42

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(988); H(25), C7H11(988); C7H10(1)+H(25)(+M)=>C7H11(988)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.381e-01 -3.065e+00 -6.612e-01 -4.203e-03 / CHEB/ 5.861e+00 2.463e+00 1.813e-01 -1.265e-01 / CHEB/ 6.317e-02 1.644e-01 2.030e-01 2.834e-02 / CHEB/ -1.539e-01 -5.740e-02 4.059e-02 2.579e-02 / CHEB/ -4.669e-02 4.486e-02 3.573e-04 8.712e-05 / CHEB/ -5.365e-03 5.613e-02 1.033e-02 -2.769e-03 /

5987.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-4.9	-1.4	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-5.5	-1.6	+0.4

Chebyshev(coeffs=[[-8.25252,-1.43801,-0.69031,-0.167865],[13.9915,0.921652,0.403395,0.0660525],[0.477745,0.314756,0.153386,0.037002],[0.169583,0.141628,0.0649829,0.0124727],[0.0255365,-0.00270907,0.00988321,0.00972877],[-0.0158079,-0.0429627,-0.0117839,0.0045305]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.18
S298 (cal/mol*K) = 31.13
G298 (kcal/mol) = 25.90

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(668); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(668)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.253e+00 -1.438e+00 -6.903e-01 -1.679e-01 / CHEB/ 1.399e+01 9.217e-01 4.034e-01 6.605e-02 / CHEB/ 4.777e-01 3.148e-01 1.534e-01 3.700e-02 / CHEB/ 1.696e-01 1.416e-01 6.498e-02 1.247e-02 / CHEB/ 2.554e-02 -2.709e-03 9.883e-03 9.729e-03 / CHEB/ -1.581e-02 -4.296e-02 -1.178e-02 4.531e-03 /

5988.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-3.7	-0.9	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.5	-1.1	+0.6

Chebyshev(coeffs=[[-5.27559,-1.85638,-0.816405,-0.150166],[11.1312,1.29701,0.494441,0.0333968],[0.540809,0.339225,0.17339,0.0430117],[0.163279,0.128046,0.0601446,0.0137359],[0.0230278,0.00156912,0.0109511,0.00899549],[-0.0154639,-0.036991,-0.00807118,0.00507801]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.10
S298 (cal/mol*K) = 8.11
G298 (kcal/mol) = -4.51

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(669); H(25), C7H11(669); C7H10(1)+H(25)(+M)=>C7H11(669)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.276e+00 -1.856e+00 -8.164e-01 -1.502e-01 / CHEB/ 1.113e+01 1.297e+00 4.944e-01 3.340e-02 / CHEB/ 5.408e-01 3.392e-01 1.734e-01 4.301e-02 / CHEB/ 1.633e-01 1.280e-01 6.014e-02 1.374e-02 / CHEB/ 2.303e-02 1.569e-03 1.095e-02 8.995e-03 / CHEB/ -1.546e-02 -3.699e-02 -8.071e-03 5.078e-03 /

5989.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.0	-5.7	-2.4	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-6.4	-2.7	-0.7

Chebyshev(coeffs=[[-8.7321,-1.49293,-0.711627,-0.169065],[13.4085,0.94741,0.410425,0.0637371],[0.392701,0.325614,0.157522,0.0370006],[0.152421,0.144727,0.0656802,0.0121206],[0.0268613,-0.00046126,0.0108694,0.00969389],[-0.0161371,-0.0413396,-0.0106104,0.00494422]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.10
S298 (cal/mol*K) = 8.11
G298 (kcal/mol) = -4.51

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(670); H(25), C7H11(670); C7H10(1)+H(25)(+M)=>C7H11(670)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.732e+00 -1.493e+00 -7.116e-01 -1.691e-01 / CHEB/ 1.341e+01 9.474e-01 4.104e-01 6.374e-02 / CHEB/ 3.927e-01 3.256e-01 1.575e-01 3.700e-02 / CHEB/ 1.524e-01 1.447e-01 6.568e-02 1.212e-02 / CHEB/ 2.686e-02 -4.613e-04 1.087e-02 9.694e-03 / CHEB/ -1.614e-02 -4.134e-02 -1.061e-02 4.944e-03 /

5990.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-0.7	+0.6	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.8	+0.2	+1.2

Chebyshev(coeffs=[[0.93525,-3.32835,-0.786799,-0.0420712],[5.71706,2.68345,0.251894,-0.0972799],[0.439743,0.363337,0.303417,0.0249518],[0.0630427,0.0656919,0.0890364,0.02842],[0.000392376,0.00442387,0.00314507,0.0146569],[-0.017821,-0.0184227,-0.00968576,0.00446984]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.70
S298 (cal/mol*K) = 2.61
G298 (kcal/mol) = -28.47

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(671); H(25), C7H11(671); C7H10(1)+H(25)(+M)=>C7H11(671)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.352e-01 -3.328e+00 -7.868e-01 -4.207e-02 / CHEB/ 5.717e+00 2.683e+00 2.519e-01 -9.728e-02 / CHEB/ 4.397e-01 3.633e-01 3.034e-01 2.495e-02 / CHEB/ 6.304e-02 6.569e-02 8.904e-02 2.842e-02 / CHEB/ 3.924e-04 4.424e-03 3.145e-03 1.466e-02 / CHEB/ -1.782e-02 -1.842e-02 -9.686e-03 4.470e-03 /

5991.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-0.8	+0.6	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-1.9	+0.2	+1.2

Chebyshev(coeffs=[[0.700021,-3.24505,-0.803278,-0.0422717],[5.95858,2.6109,0.283081,-0.099662],[0.44688,0.356785,0.295698,0.0292938],[0.0717188,0.0682172,0.0850847,0.028551],[0.00739954,0.00471273,0.00294223,0.0139191],[-0.0158927,-0.0195659,-0.00906107,0.00415142]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.60
S298 (cal/mol*K) = 11.54
G298 (kcal/mol) = -18.04

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(672); H(25), C7H11(672); C7H10(1)+H(25)(+M)=>C7H11(672)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.000e-01 -3.245e+00 -8.033e-01 -4.227e-02 / CHEB/ 5.959e+00 2.611e+00 2.831e-01 -9.966e-02 / CHEB/ 4.469e-01 3.568e-01 2.957e-01 2.929e-02 / CHEB/ 7.172e-02 6.822e-02 8.508e-02 2.855e-02 / CHEB/ 7.400e-03 4.713e-03 2.942e-03 1.392e-02 / CHEB/ -1.589e-02 -1.957e-02 -9.061e-03 4.151e-03 /

5992.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-2.5	-0.5	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-3.4	-0.9	+0.3

Chebyshev(coeffs=[[-2.05298,-2.65554,-0.884571,-0.0695887],[7.78024,2.04572,0.46255,-0.0763427],[0.51466,0.352058,0.232692,0.0490692],[0.0969887,0.0934741,0.0670745,0.0238932],[-0.00581426,0.00767536,0.00732531,0.00925676],[-0.0210964,-0.0255139,-0.00618041,0.003915]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.10
S298 (cal/mol*K) = 10.81
G298 (kcal/mol) = -8.32

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(488); H(25), C7H11(488); C7H10(1)+H(25)(+M)=>C7H11(488)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.053e+00 -2.656e+00 -8.846e-01 -6.959e-02 / CHEB/ 7.780e+00 2.046e+00 4.626e-01 -7.634e-02 / CHEB/ 5.147e-01 3.521e-01 2.327e-01 4.907e-02 / CHEB/ 9.699e-02 9.347e-02 6.707e-02 2.389e-02 / CHEB/ -5.814e-03 7.675e-03 7.325e-03 9.257e-03 / CHEB/ -2.110e-02 -2.551e-02 -6.180e-03 3.915e-03 /

5993.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.9	-8.9	-3.6	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-25.5	-9.2	-3.7	-1.0

Chebyshev(coeffs=[[-18.076,-0.703309,-0.38888,-0.136846],[23.0228,0.38204,0.199489,0.0594853],[-0.00677824,0.19734,0.105082,0.0331652],[0.0418094,0.105484,0.0563616,0.0179519],[-0.0089253,-0.0107222,-8.85268e-05,0.00476166],[-0.0244626,-0.0367534,-0.0160011,-0.00185736]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.06
S298 (cal/mol*K) = 50.07
G298 (kcal/mol) = 58.14

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(674); H(25), CH3(423); C7H10(1)+H(25)(+M)=>CH3(423)+C6H8(674)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.808e+01 -7.033e-01 -3.889e-01 -1.368e-01 / CHEB/ 2.302e+01 3.820e-01 1.995e-01 5.949e-02 / CHEB/ -6.778e-03 1.973e-01 1.051e-01 3.317e-02 / CHEB/ 4.181e-02 1.055e-01 5.636e-02 1.795e-02 / CHEB/ -8.925e-03 -1.072e-02 -8.853e-05 4.762e-03 / CHEB/ -2.446e-02 -3.675e-02 -1.600e-02 -1.857e-03 /

5994.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-11.6	-6.0	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-28.7	-11.9	-6.1	-3.2

Chebyshev(coeffs=[[-21.1089,-0.710941,-0.392251,-0.137354],[23.6383,0.386889,0.201439,0.0595981],[0.162651,0.199076,0.105797,0.0332202],[0.0920199,0.106264,0.0566735,0.0179612],[0.00764436,-0.0107176,1.43628e-05,0.00485695],[-0.0187017,-0.0369903,-0.0160361,-0.00179836]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.60
S298 (cal/mol*K) = 38.58
G298 (kcal/mol) = 62.11

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(675); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(675)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.111e+01 -7.109e-01 -3.923e-01 -1.374e-01 / CHEB/ 2.364e+01 3.869e-01 2.014e-01 5.960e-02 / CHEB/ 1.627e-01 1.991e-01 1.058e-01 3.322e-02 / CHEB/ 9.202e-02 1.063e-01 5.667e-02 1.796e-02 / CHEB/ 7.644e-03 -1.072e-02 1.436e-05 4.857e-03 / CHEB/ -1.870e-02 -3.699e-02 -1.604e-02 -1.798e-03 /

5995.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.6	-9.2	-3.3	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-27.1	-9.5	-3.4	-0.3

Chebyshev(coeffs=[[-19.4266,-0.661745,-0.370326,-0.133909],[24.7821,0.355749,0.188758,0.0587517],[0.194906,0.187706,0.101082,0.0328329],[0.0991045,0.101159,0.0546093,0.0178722],[0.0103431,-0.0106795,-0.000617225,0.00423821],[-0.0172519,-0.0353954,-0.0157706,-0.00216633]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.72
S298 (cal/mol*K) = 53.74
G298 (kcal/mol) = 61.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H7(676); H(25), C3H4(73); C7H10(1)+H(25)(+M)=>C3H4(73)+C4H7(676)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.943e+01 -6.617e-01 -3.703e-01 -1.339e-01 / CHEB/ 2.478e+01 3.557e-01 1.888e-01 5.875e-02 / CHEB/ 1.949e-01 1.877e-01 1.011e-01 3.283e-02 / CHEB/ 9.910e-02 1.012e-01 5.461e-02 1.787e-02 / CHEB/ 1.034e-02 -1.068e-02 -6.172e-04 4.238e-03 / CHEB/ -1.725e-02 -3.540e-02 -1.577e-02 -2.166e-03 /

5996.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.4	-9.6	-4.8	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-24.2	-10.0	-4.9	-2.4

Chebyshev(coeffs=[[-16.6599,-0.946708,-0.492706,-0.150343],[19.8857,0.538679,0.259771,0.0616813],[0.27321,0.248783,0.125686,0.034243],[0.129879,0.12807,0.0646139,0.017311],[0.0175085,-0.00873897,0.00391202,0.00759219],[-0.0173306,-0.0423373,-0.0160004,0.000362305]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.50
S298 (cal/mol*K) = 29.65
G298 (kcal/mol) = 51.67

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(677); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(677)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.666e+01 -9.467e-01 -4.927e-01 -1.503e-01 / CHEB/ 1.989e+01 5.387e-01 2.598e-01 6.168e-02 / CHEB/ 2.732e-01 2.488e-01 1.257e-01 3.424e-02 / CHEB/ 1.299e-01 1.281e-01 6.461e-02 1.731e-02 / CHEB/ 1.751e-02 -8.739e-03 3.912e-03 7.592e-03 / CHEB/ -1.733e-02 -4.234e-02 -1.600e-02 3.623e-04 /

5997.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.9	-13.2	-6.9	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-32.3	-13.5	-7.0	-3.8

Chebyshev(coeffs=[[-24.601,-0.573977,-0.329894,-0.126553],[26.5706,0.300741,0.165291,0.0563414],[0.167037,0.166571,0.092088,0.0319174],[0.0853989,0.0915835,0.0505926,0.0175441],[0.00623746,-0.0102139,-0.00153918,0.00312195],[-0.017751,-0.0321619,-0.0150559,-0.00274471]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.10
S298 (cal/mol*K) = 37.85
G298 (kcal/mol) = 71.82

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(578); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(578)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.460e+01 -5.740e-01 -3.299e-01 -1.266e-01 / CHEB/ 2.657e+01 3.007e-01 1.653e-01 5.634e-02 / CHEB/ 1.670e-01 1.666e-01 9.209e-02 3.192e-02 / CHEB/ 8.540e-02 9.158e-02 5.059e-02 1.754e-02 / CHEB/ 6.237e-03 -1.021e-02 -1.539e-03 3.122e-03 / CHEB/ -1.775e-02 -3.216e-02 -1.506e-02 -2.745e-03 /

5998.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.2	-13.8	-7.2	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-33.6	-14.0	-7.3	-3.9

Chebyshev(coeffs=[[-25.8194,-0.534439,-0.311039,-0.122604],[27.6305,0.276222,0.154315,0.0547715],[0.195114,0.156705,0.0877672,0.031384],[0.0906841,0.0870607,0.0486327,0.0173231],[0.00810258,-0.00983923,-0.00185861,0.00262365],[-0.0166351,-0.0305471,-0.0146293,-0.00296904]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.10
S298 (cal/mol*K) = 35.15
G298 (kcal/mol) = 75.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(678); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(678)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.582e+01 -5.344e-01 -3.110e-01 -1.226e-01 / CHEB/ 2.763e+01 2.762e-01 1.543e-01 5.477e-02 / CHEB/ 1.951e-01 1.567e-01 8.777e-02 3.138e-02 / CHEB/ 9.068e-02 8.706e-02 4.863e-02 1.732e-02 / CHEB/ 8.103e-03 -9.839e-03 -1.859e-03 2.624e-03 / CHEB/ -1.664e-02 -3.055e-02 -1.463e-02 -2.969e-03 /

5999.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.7	-14.2	-7.6	-4.2
log₁₀(k(10 bar)/[mole,m,s])	-34.1	-14.4	-7.6	-4.2

Chebyshev(coeffs=[[-26.242,-0.535873,-0.31173,-0.122755],[27.6872,0.277113,0.15472,0.0548348],[0.215308,0.15706,0.0879245,0.0314045],[0.0967203,0.0872273,0.0487056,0.017332],[0.0101023,-0.00985438,-0.0018481,0.00264154],[-0.0159474,-0.0306071,-0.0146459,-0.00296139]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.10
S298 (cal/mol*K) = 35.15
G298 (kcal/mol) = 75.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(679); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(679)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.624e+01 -5.359e-01 -3.117e-01 -1.228e-01 / CHEB/ 2.769e+01 2.771e-01 1.547e-01 5.483e-02 / CHEB/ 2.153e-01 1.571e-01 8.792e-02 3.140e-02 / CHEB/ 9.672e-02 8.723e-02 4.871e-02 1.733e-02 / CHEB/ 1.010e-02 -9.854e-03 -1.848e-03 2.642e-03 / CHEB/ -1.595e-02 -3.061e-02 -1.465e-02 -2.961e-03 /

6000.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-6.4	-3.4	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-7.1	-3.6	-1.8

Chebyshev(coeffs=[[-8.56886,-1.68912,-0.774453,-0.162352],[12.0676,1.13132,0.461958,0.0514633],[0.482675,0.33603,0.165688,0.0397654],[0.157029,0.137025,0.062444,0.0124497],[0.0206108,0.00083306,0.0112498,0.00935273],[-0.0169515,-0.039045,-0.0090304,0.00520481]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.27
S298 (cal/mol*K) = 5.04
G298 (kcal/mol) = 1.77

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(680); H(25), C7H11(680); C7H10(1)+H(25)(+M)=>C7H11(680)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.569e+00 -1.689e+00 -7.745e-01 -1.624e-01 / CHEB/ 1.207e+01 1.131e+00 4.620e-01 5.146e-02 / CHEB/ 4.827e-01 3.360e-01 1.657e-01 3.977e-02 / CHEB/ 1.570e-01 1.370e-01 6.244e-02 1.245e-02 / CHEB/ 2.061e-02 8.331e-04 1.125e-02 9.353e-03 / CHEB/ -1.695e-02 -3.904e-02 -9.030e-03 5.205e-03 /

6001.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.0	-5.8	-1.4	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-6.2	-1.5	+0.8

Chebyshev(coeffs=[[-12.4472,-0.95212,-0.494963,-0.150613],[19.0603,0.542211,0.261104,0.0617313],[0.110574,0.249841,0.126099,0.0342555],[0.0820356,0.128507,0.0647512,0.0172725],[0.00158492,-0.00865564,0.00401293,0.00764788],[-0.0229814,-0.042413,-0.0159742,0.000418947]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.58
S298 (cal/mol*K) = 49.97
G298 (kcal/mol) = 43.69

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(210); H(25), C2H4(681); C7H10(1)+H(25)(+M)=>C5H7(210)+C2H4(681)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.245e+01 -9.521e-01 -4.950e-01 -1.506e-01 / CHEB/ 1.906e+01 5.422e-01 2.611e-01 6.173e-02 / CHEB/ 1.106e-01 2.498e-01 1.261e-01 3.426e-02 / CHEB/ 8.204e-02 1.285e-01 6.475e-02 1.727e-02 / CHEB/ 1.585e-03 -8.656e-03 4.013e-03 7.648e-03 / CHEB/ -2.298e-02 -4.241e-02 -1.597e-02 4.189e-04 /

6002.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.6	-13.3	-6.8	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-33.0	-13.5	-6.9	-3.6

Chebyshev(coeffs=[[-25.3261,-0.5144,-0.301313,-0.120426],[27.6035,0.263859,0.148645,0.0538407],[0.0802688,0.15163,0.08551,0.031078],[0.0552576,0.084715,0.0476003,0.0171921],[-0.0035893,-0.00961087,-0.00199551,0.00237491],[-0.0205116,-0.0296922,-0.0143874,-0.003073]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.82
S298 (cal/mol*K) = 44.38
G298 (kcal/mol) = 73.59

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(682); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(682)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.533e+01 -5.144e-01 -3.013e-01 -1.204e-01 / CHEB/ 2.760e+01 2.639e-01 1.486e-01 5.384e-02 / CHEB/ 8.027e-02 1.516e-01 8.551e-02 3.108e-02 / CHEB/ 5.526e-02 8.472e-02 4.760e-02 1.719e-02 / CHEB/ -3.589e-03 -9.611e-03 -1.996e-03 2.375e-03 / CHEB/ -2.051e-02 -2.969e-02 -1.439e-02 -3.073e-03 /

6003.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.6	-17.1	-8.9	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-41.8	-17.2	-8.9	-4.9

Chebyshev(coeffs=[[-33.7542,-0.282295,-0.178802,-0.0838051],[34.8372,0.124624,0.0774399,0.0348776],[0.0622699,0.0897728,0.055476,0.0246941],[0.0254376,0.0545594,0.0332032,0.0143173],[-0.0132363,-0.00516756,-0.0020818,0.000116589],[-0.0202081,-0.018185,-0.0102106,-0.00358463]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.53
S298 (cal/mol*K) = 45.74
G298 (kcal/mol) = 87.90

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(683); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(683)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.375e+01 -2.823e-01 -1.788e-01 -8.381e-02 / CHEB/ 3.484e+01 1.246e-01 7.744e-02 3.488e-02 / CHEB/ 6.227e-02 8.977e-02 5.548e-02 2.469e-02 / CHEB/ 2.544e-02 5.456e-02 3.320e-02 1.432e-02 / CHEB/ -1.324e-02 -5.168e-03 -2.082e-03 1.166e-04 / CHEB/ -2.021e-02 -1.819e-02 -1.021e-02 -3.585e-03 /

6004.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.0	-13.2	-6.7	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-32.4	-13.5	-6.8	-3.3

Chebyshev(coeffs=[[-24.4779,-0.587727,-0.335528,-0.126849],[26.5791,0.330146,0.179537,0.0596113],[0.404306,0.165353,0.0918634,0.032254],[0.152038,0.0869448,0.0483282,0.0170554],[0.0257599,-0.0136349,-0.00313969,0.00280516],[-0.0118118,-0.0331107,-0.0156505,-0.0030095]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.70
S298 (cal/mol*K) = 35.90
G298 (kcal/mol) = 71.00

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(684); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(684)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.448e+01 -5.877e-01 -3.355e-01 -1.268e-01 / CHEB/ 2.658e+01 3.301e-01 1.795e-01 5.961e-02 / CHEB/ 4.043e-01 1.654e-01 9.186e-02 3.225e-02 / CHEB/ 1.520e-01 8.694e-02 4.833e-02 1.706e-02 / CHEB/ 2.576e-02 -1.363e-02 -3.140e-03 2.805e-03 / CHEB/ -1.181e-02 -3.311e-02 -1.565e-02 -3.010e-03 /

6005.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-5.0	-1.7	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-5.6	-2.0	-0.1

Chebyshev(coeffs=[[-7.51976,-1.60319,-0.746713,-0.164788],[12.7233,1.07067,0.448259,0.0580822],[0.530134,0.325419,0.160478,0.0391916],[0.17461,0.137052,0.0625193,0.0122849],[0.026732,-0.00111358,0.0105683,0.00948292],[-0.0149538,-0.0410539,-0.0102355,0.00498972]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.75
S298 (cal/mol*K) = 29.11
G298 (kcal/mol) = 23.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(685); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(685)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.520e+00 -1.603e+00 -7.467e-01 -1.648e-01 / CHEB/ 1.272e+01 1.071e+00 4.483e-01 5.808e-02 / CHEB/ 5.301e-01 3.254e-01 1.605e-01 3.919e-02 / CHEB/ 1.746e-01 1.371e-01 6.252e-02 1.228e-02 / CHEB/ 2.673e-02 -1.114e-03 1.057e-02 9.483e-03 / CHEB/ -1.495e-02 -4.105e-02 -1.024e-02 4.990e-03 /

6006.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-3.7	-1.2	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-4.5	-1.5	+0.0

Chebyshev(coeffs=[[-4.7785,-1.98609,-0.849499,-0.142468],[10.2569,1.3739,0.499343,0.0187763],[0.411606,0.360903,0.182507,0.0424703],[0.120606,0.128565,0.0616278,0.0147317],[0.00826453,0.00429058,0.011713,0.00896223],[-0.0203932,-0.0333261,-0.00640858,0.0051395]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.59
S298 (cal/mol*K) = 9.44
G298 (kcal/mol) = -15.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(686); H(25), C7H11(686); C7H10(1)+H(25)(+M)=>C7H11(686)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.779e+00 -1.986e+00 -8.495e-01 -1.425e-01 / CHEB/ 1.026e+01 1.374e+00 4.993e-01 1.878e-02 / CHEB/ 4.116e-01 3.609e-01 1.825e-01 4.247e-02 / CHEB/ 1.206e-01 1.286e-01 6.163e-02 1.473e-02 / CHEB/ 8.265e-03 4.291e-03 1.171e-02 8.962e-03 / CHEB/ -2.039e-02 -3.333e-02 -6.409e-03 5.140e-03 /

6007.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.3	-16.6	-8.4	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-41.5	-16.7	-8.5	-4.4

Chebyshev(coeffs=[[-33.378,-0.279381,-0.177134,-0.0831836],[34.9611,0.122933,0.0764824,0.0345321],[0.0628729,0.0889664,0.0550464,0.0245661],[0.0252339,0.0541405,0.0329862,0.0142581],[-0.0132907,-0.0050926,-0.00206259,0.000101124],[-0.0201651,-0.0180241,-0.0101407,-0.00357962]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 102.12
S298 (cal/mol*K) = 48.77
G298 (kcal/mol) = 87.58

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(687); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(687)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.338e+01 -2.794e-01 -1.771e-01 -8.318e-02 / CHEB/ 3.496e+01 1.229e-01 7.648e-02 3.453e-02 / CHEB/ 6.287e-02 8.897e-02 5.505e-02 2.457e-02 / CHEB/ 2.523e-02 5.414e-02 3.299e-02 1.426e-02 / CHEB/ -1.329e-02 -5.093e-03 -2.063e-03 1.011e-04 / CHEB/ -2.017e-02 -1.802e-02 -1.014e-02 -3.580e-03 /

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